USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 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 Single : A 1 ALA N :NH3+ -122:sc= 0.122 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.68) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00995 USER MOD Single : A 13 TYR OH : rot -30:sc= 1.08 USER MOD Single : A 15 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -3.36 X(o=-3.4,f=-3.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.998 K(o=-1,f=-1.8) USER MOD Single : A 24 TYR OH : rot -118:sc= 1.23 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 69:sc= 0.792 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -1.26 F(o=-2.7!,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0825) USER MOD Single : A 50 SER OG : rot 33:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.58 F(o=-2.9,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -5.07! C(o=-5.1!,f=-9.4!) USER MOD Single : A 78 TYR OH : rot 130:sc= -1.91! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 80 SER OG : rot 180:sc= -0.804! USER MOD Single : A 84 ASN : amide:sc= -0.693 K(o=-0.69,f=-2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 110:sc= -1.94! USER MOD Single : A 91 SER OG : rot 59:sc= 0.502 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 175:sc= -1.89! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 50:sc= -0.66 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 103 TYR OH : rot -24:sc= -2.98 USER MOD Single : A 104 GLN : amide:sc= -0.32 K(o=-0.32,f=-3!) USER MOD Single : A 105 THR OG1 : rot -146:sc= -0.42 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.632 20.127 3.745 1.00 0.00 N ATOM 2 CA ALA A 1 2.863 18.785 4.353 1.00 0.00 C ATOM 3 C ALA A 1 4.264 18.294 3.985 1.00 0.00 C ATOM 4 O ALA A 1 5.049 19.011 3.397 1.00 0.00 O ATOM 5 CB ALA A 1 1.819 17.798 3.826 1.00 0.00 C ATOM 0 H1 ALA A 1 2.408 20.813 4.494 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.489 20.432 3.241 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.837 20.073 3.076 1.00 0.00 H new ATOM 0 HA ALA A 1 2.777 18.857 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.988 16.817 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.821 18.149 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.903 17.724 2.742 1.00 0.00 H new ATOM 13 N GLN A 2 4.585 17.076 4.326 1.00 0.00 N ATOM 14 CA GLN A 2 5.935 16.541 3.995 1.00 0.00 C ATOM 15 C GLN A 2 5.814 15.074 3.573 1.00 0.00 C ATOM 16 O GLN A 2 5.664 14.193 4.396 1.00 0.00 O ATOM 17 CB GLN A 2 6.841 16.646 5.223 1.00 0.00 C ATOM 18 CG GLN A 2 7.761 17.860 5.079 1.00 0.00 C ATOM 19 CD GLN A 2 8.834 17.821 6.169 1.00 0.00 C ATOM 20 OE1 GLN A 2 10.013 17.803 5.876 1.00 0.00 O ATOM 21 NE2 GLN A 2 8.473 17.807 7.422 1.00 0.00 N ATOM 0 H GLN A 2 3.970 16.429 4.820 1.00 0.00 H new ATOM 0 HA GLN A 2 6.364 17.120 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.238 16.739 6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.434 15.738 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.228 17.861 4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.181 18.780 5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.483 17.822 7.668 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.180 17.781 8.156 1.00 0.00 H new ATOM 30 N VAL A 3 5.877 14.806 2.297 1.00 0.00 N ATOM 31 CA VAL A 3 5.767 13.396 1.826 1.00 0.00 C ATOM 32 C VAL A 3 4.390 12.840 2.195 1.00 0.00 C ATOM 33 O VAL A 3 3.639 13.454 2.927 1.00 0.00 O ATOM 34 CB VAL A 3 6.854 12.550 2.490 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.019 11.236 1.726 1.00 0.00 C ATOM 36 CG2 VAL A 3 8.177 13.319 2.473 1.00 0.00 C ATOM 0 H VAL A 3 6.000 15.502 1.561 1.00 0.00 H new ATOM 0 HA VAL A 3 5.893 13.364 0.744 1.00 0.00 H new ATOM 0 HB VAL A 3 6.569 12.336 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.794 10.634 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.077 10.688 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.304 11.448 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.953 12.718 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.461 13.532 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.061 14.255 3.019 1.00 0.00 H new ATOM 46 N ILE A 4 4.053 11.682 1.694 1.00 0.00 N ATOM 47 CA ILE A 4 2.725 11.090 2.017 1.00 0.00 C ATOM 48 C ILE A 4 2.871 9.579 2.216 1.00 0.00 C ATOM 49 O ILE A 4 2.844 8.815 1.272 1.00 0.00 O ATOM 50 CB ILE A 4 1.753 11.359 0.866 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.832 12.835 0.469 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.328 11.028 1.312 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.663 12.977 -0.808 1.00 0.00 C ATOM 0 H ILE A 4 4.640 11.122 1.076 1.00 0.00 H new ATOM 0 HA ILE A 4 2.341 11.541 2.932 1.00 0.00 H new ATOM 0 HB ILE A 4 2.020 10.736 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.830 13.234 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.282 13.416 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.364 11.220 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.271 9.977 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.060 11.651 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.719 14.028 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.668 12.594 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.194 12.410 -1.612 1.00 0.00 H new ATOM 65 N ASN A 5 3.026 9.142 3.436 1.00 0.00 N ATOM 66 CA ASN A 5 3.172 7.681 3.691 1.00 0.00 C ATOM 67 C ASN A 5 2.370 7.297 4.936 1.00 0.00 C ATOM 68 O ASN A 5 2.906 6.781 5.897 1.00 0.00 O ATOM 69 CB ASN A 5 4.649 7.345 3.912 1.00 0.00 C ATOM 70 CG ASN A 5 5.216 8.238 5.017 1.00 0.00 C ATOM 71 OD1 ASN A 5 5.562 9.378 4.775 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.326 7.766 6.229 1.00 0.00 N ATOM 0 H ASN A 5 3.058 9.733 4.267 1.00 0.00 H new ATOM 0 HA ASN A 5 2.798 7.124 2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.757 6.296 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.208 7.492 2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.702 8.354 6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.036 6.810 6.432 1.00 0.00 H new ATOM 79 N THR A 6 1.089 7.544 4.928 1.00 0.00 N ATOM 80 CA THR A 6 0.255 7.192 6.110 1.00 0.00 C ATOM 81 C THR A 6 -1.141 6.777 5.645 1.00 0.00 C ATOM 82 O THR A 6 -1.427 6.737 4.465 1.00 0.00 O ATOM 83 CB THR A 6 0.139 8.405 7.036 1.00 0.00 C ATOM 84 OG1 THR A 6 0.095 9.591 6.255 1.00 0.00 O ATOM 85 CG2 THR A 6 1.347 8.451 7.972 1.00 0.00 C ATOM 0 H THR A 6 0.584 7.975 4.153 1.00 0.00 H new ATOM 0 HA THR A 6 0.722 6.367 6.647 1.00 0.00 H new ATOM 0 HB THR A 6 -0.773 8.326 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.019 10.369 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.264 9.315 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.379 7.540 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.261 8.531 7.383 1.00 0.00 H new ATOM 93 N PHE A 7 -2.015 6.468 6.564 1.00 0.00 N ATOM 94 CA PHE A 7 -3.392 6.057 6.174 1.00 0.00 C ATOM 95 C PHE A 7 -4.174 7.283 5.705 1.00 0.00 C ATOM 96 O PHE A 7 -4.676 7.325 4.601 1.00 0.00 O ATOM 97 CB PHE A 7 -4.098 5.430 7.377 1.00 0.00 C ATOM 98 CG PHE A 7 -3.792 3.953 7.424 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.170 3.127 6.361 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.132 3.412 8.532 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.886 1.758 6.404 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.848 2.042 8.577 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.225 1.215 7.512 1.00 0.00 C ATOM 0 H PHE A 7 -1.834 6.483 7.568 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.339 5.328 5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.767 5.911 8.298 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.174 5.588 7.304 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.681 3.546 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.841 4.051 9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.177 1.120 5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.339 1.623 9.432 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.006 0.158 7.545 1.00 0.00 H new ATOM 113 N ASP A 8 -4.284 8.281 6.536 1.00 0.00 N ATOM 114 CA ASP A 8 -5.035 9.505 6.139 1.00 0.00 C ATOM 115 C ASP A 8 -4.237 10.287 5.089 1.00 0.00 C ATOM 116 O ASP A 8 -4.794 10.873 4.182 1.00 0.00 O ATOM 117 CB ASP A 8 -5.259 10.387 7.369 1.00 0.00 C ATOM 118 CG ASP A 8 -6.692 10.207 7.872 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.281 9.183 7.569 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.177 11.098 8.551 1.00 0.00 O ATOM 0 H ASP A 8 -3.886 8.302 7.475 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.997 9.215 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.551 10.121 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.079 11.432 7.118 1.00 0.00 H new ATOM 125 N GLY A 9 -2.937 10.306 5.210 1.00 0.00 N ATOM 126 CA GLY A 9 -2.106 11.057 4.227 1.00 0.00 C ATOM 127 C GLY A 9 -2.226 10.410 2.849 1.00 0.00 C ATOM 128 O GLY A 9 -2.481 11.071 1.862 1.00 0.00 O ATOM 0 H GLY A 9 -2.415 9.833 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.431 12.096 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.064 11.063 4.547 1.00 0.00 H new ATOM 132 N VAL A 10 -2.044 9.122 2.771 1.00 0.00 N ATOM 133 CA VAL A 10 -2.149 8.439 1.451 1.00 0.00 C ATOM 134 C VAL A 10 -3.589 8.527 0.951 1.00 0.00 C ATOM 135 O VAL A 10 -3.840 8.833 -0.198 1.00 0.00 O ATOM 136 CB VAL A 10 -1.744 6.971 1.599 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.903 6.260 0.255 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.282 6.890 2.045 1.00 0.00 C ATOM 0 H VAL A 10 -1.828 8.514 3.561 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.485 8.923 0.735 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.381 6.492 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.614 5.214 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.943 6.319 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.265 6.739 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.009 5.845 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.353 7.369 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.165 7.398 3.002 1.00 0.00 H new ATOM 148 N ALA A 11 -4.541 8.275 1.806 1.00 0.00 N ATOM 149 CA ALA A 11 -5.963 8.359 1.378 1.00 0.00 C ATOM 150 C ALA A 11 -6.207 9.744 0.785 1.00 0.00 C ATOM 151 O ALA A 11 -6.920 9.901 -0.186 1.00 0.00 O ATOM 152 CB ALA A 11 -6.876 8.149 2.588 1.00 0.00 C ATOM 0 H ALA A 11 -4.395 8.015 2.781 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.178 7.591 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.918 8.211 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.686 7.167 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.676 8.919 3.333 1.00 0.00 H new ATOM 158 N ASP A 12 -5.605 10.749 1.358 1.00 0.00 N ATOM 159 CA ASP A 12 -5.785 12.128 0.826 1.00 0.00 C ATOM 160 C ASP A 12 -5.163 12.210 -0.568 1.00 0.00 C ATOM 161 O ASP A 12 -5.816 12.565 -1.531 1.00 0.00 O ATOM 162 CB ASP A 12 -5.086 13.124 1.752 1.00 0.00 C ATOM 163 CG ASP A 12 -6.131 13.873 2.580 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.103 14.328 2.000 1.00 0.00 O ATOM 165 OD2 ASP A 12 -5.943 13.978 3.781 1.00 0.00 O ATOM 0 H ASP A 12 -4.996 10.674 2.173 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.847 12.366 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.393 12.600 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.497 13.830 1.166 1.00 0.00 H new ATOM 170 N TYR A 13 -3.906 11.880 -0.686 1.00 0.00 N ATOM 171 CA TYR A 13 -3.243 11.936 -2.020 1.00 0.00 C ATOM 172 C TYR A 13 -3.986 11.013 -2.989 1.00 0.00 C ATOM 173 O TYR A 13 -3.850 11.120 -4.193 1.00 0.00 O ATOM 174 CB TYR A 13 -1.789 11.475 -1.886 1.00 0.00 C ATOM 175 CG TYR A 13 -1.064 11.708 -3.189 1.00 0.00 C ATOM 176 CD1 TYR A 13 -0.635 12.997 -3.532 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.818 10.635 -4.053 1.00 0.00 C ATOM 178 CE1 TYR A 13 0.039 13.211 -4.739 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.143 10.850 -5.262 1.00 0.00 C ATOM 180 CZ TYR A 13 0.285 12.138 -5.605 1.00 0.00 C ATOM 181 OH TYR A 13 0.950 12.349 -6.796 1.00 0.00 O ATOM 0 H TYR A 13 -3.310 11.574 0.083 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.264 12.958 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.296 12.020 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.754 10.418 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.825 13.825 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.148 9.641 -3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.370 14.204 -5.003 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.047 10.022 -5.929 1.00 0.00 H new ATOM 0 HH TYR A 13 0.760 13.254 -7.121 1.00 0.00 H new ATOM 191 N LEU A 14 -4.773 10.109 -2.472 1.00 0.00 N ATOM 192 CA LEU A 14 -5.531 9.180 -3.358 1.00 0.00 C ATOM 193 C LEU A 14 -6.751 9.908 -3.926 1.00 0.00 C ATOM 194 O LEU A 14 -6.896 10.049 -5.121 1.00 0.00 O ATOM 195 CB LEU A 14 -5.986 7.964 -2.545 1.00 0.00 C ATOM 196 CG LEU A 14 -4.965 6.830 -2.692 1.00 0.00 C ATOM 197 CD1 LEU A 14 -4.948 5.989 -1.414 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.355 5.939 -3.873 1.00 0.00 C ATOM 0 H LEU A 14 -4.924 9.974 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.894 8.848 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.092 8.236 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.965 7.631 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.977 7.256 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.222 5.183 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.672 6.618 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.938 5.566 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.628 5.133 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.344 5.515 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.371 6.533 -4.787 1.00 0.00 H new ATOM 210 N GLN A 15 -7.628 10.375 -3.084 1.00 0.00 N ATOM 211 CA GLN A 15 -8.831 11.097 -3.589 1.00 0.00 C ATOM 212 C GLN A 15 -8.411 12.460 -4.151 1.00 0.00 C ATOM 213 O GLN A 15 -9.194 13.153 -4.769 1.00 0.00 O ATOM 214 CB GLN A 15 -9.821 11.302 -2.441 1.00 0.00 C ATOM 215 CG GLN A 15 -9.274 12.361 -1.482 1.00 0.00 C ATOM 216 CD GLN A 15 -10.236 12.530 -0.304 1.00 0.00 C ATOM 217 OE1 GLN A 15 -9.821 12.841 0.795 1.00 0.00 O ATOM 218 NE2 GLN A 15 -11.513 12.335 -0.487 1.00 0.00 N ATOM 0 H GLN A 15 -7.566 10.289 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.303 10.510 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.789 11.615 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.980 10.363 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.289 12.066 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.151 13.310 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.862 12.074 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.162 12.444 0.292 1.00 0.00 H new ATOM 227 N THR A 16 -7.182 12.851 -3.935 1.00 0.00 N ATOM 228 CA THR A 16 -6.719 14.172 -4.450 1.00 0.00 C ATOM 229 C THR A 16 -6.022 13.991 -5.795 1.00 0.00 C ATOM 230 O THR A 16 -6.444 14.516 -6.807 1.00 0.00 O ATOM 231 CB THR A 16 -5.742 14.795 -3.450 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.404 15.005 -2.211 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.234 16.132 -3.995 1.00 0.00 C ATOM 0 H THR A 16 -6.481 12.313 -3.425 1.00 0.00 H new ATOM 0 HA THR A 16 -7.580 14.828 -4.578 1.00 0.00 H new ATOM 0 HB THR A 16 -4.897 14.123 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.554 14.143 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.538 16.575 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.725 15.968 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.076 16.807 -4.147 1.00 0.00 H new ATOM 241 N TYR A 17 -4.959 13.255 -5.804 1.00 0.00 N ATOM 242 CA TYR A 17 -4.212 13.027 -7.074 1.00 0.00 C ATOM 243 C TYR A 17 -4.774 11.796 -7.785 1.00 0.00 C ATOM 244 O TYR A 17 -4.313 11.410 -8.842 1.00 0.00 O ATOM 245 CB TYR A 17 -2.732 12.798 -6.759 1.00 0.00 C ATOM 246 CG TYR A 17 -2.079 14.118 -6.429 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.594 14.915 -5.400 1.00 0.00 C ATOM 248 CD2 TYR A 17 -0.959 14.545 -7.152 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.989 16.141 -5.094 1.00 0.00 C ATOM 250 CE2 TYR A 17 -0.355 15.770 -6.847 1.00 0.00 C ATOM 251 CZ TYR A 17 -0.869 16.568 -5.818 1.00 0.00 C ATOM 252 OH TYR A 17 -0.273 17.775 -5.519 1.00 0.00 O ATOM 0 H TYR A 17 -4.566 12.794 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.319 13.899 -7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.630 12.110 -5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.234 12.337 -7.612 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.458 14.585 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.561 13.929 -7.945 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.386 16.756 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.508 16.100 -7.406 1.00 0.00 H new ATOM 0 HH TYR A 17 0.492 17.919 -6.115 1.00 0.00 H new ATOM 262 N HIS A 18 -5.771 11.177 -7.215 1.00 0.00 N ATOM 263 CA HIS A 18 -6.373 9.972 -7.851 1.00 0.00 C ATOM 264 C HIS A 18 -5.265 9.065 -8.388 1.00 0.00 C ATOM 265 O HIS A 18 -5.308 8.613 -9.514 1.00 0.00 O ATOM 266 CB HIS A 18 -7.294 10.409 -8.990 1.00 0.00 C ATOM 267 CG HIS A 18 -8.510 11.077 -8.409 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.713 11.154 -9.093 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.726 11.697 -7.201 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.590 11.798 -8.300 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.039 12.151 -7.135 1.00 0.00 N ATOM 0 H HIS A 18 -6.197 11.456 -6.331 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.953 9.419 -7.113 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.770 11.095 -9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.588 9.547 -9.588 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.988 11.814 -6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.615 12.004 -8.572 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.485 12.647 -6.363 1.00 0.00 H new ATOM 279 N LYS A 19 -4.277 8.792 -7.581 1.00 0.00 N ATOM 280 CA LYS A 19 -3.164 7.908 -8.027 1.00 0.00 C ATOM 281 C LYS A 19 -2.114 7.825 -6.917 1.00 0.00 C ATOM 282 O LYS A 19 -1.677 8.828 -6.388 1.00 0.00 O ATOM 283 CB LYS A 19 -2.520 8.484 -9.291 1.00 0.00 C ATOM 284 CG LYS A 19 -1.821 9.803 -8.955 1.00 0.00 C ATOM 285 CD LYS A 19 -1.431 10.518 -10.251 1.00 0.00 C ATOM 286 CE LYS A 19 -0.628 11.777 -9.918 1.00 0.00 C ATOM 287 NZ LYS A 19 -1.358 12.978 -10.412 1.00 0.00 N ATOM 0 H LYS A 19 -4.193 9.145 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.555 6.914 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.802 7.774 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.279 8.647 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.481 10.436 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.934 9.613 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.841 9.854 -10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.325 10.783 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.475 11.849 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.359 11.724 -10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.812 13.834 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.482 12.909 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.290 13.031 -9.954 1.00 0.00 H new ATOM 301 N LEU A 20 -1.707 6.639 -6.559 1.00 0.00 N ATOM 302 CA LEU A 20 -0.685 6.496 -5.482 1.00 0.00 C ATOM 303 C LEU A 20 0.424 7.530 -5.700 1.00 0.00 C ATOM 304 O LEU A 20 0.575 8.053 -6.786 1.00 0.00 O ATOM 305 CB LEU A 20 -0.078 5.091 -5.534 1.00 0.00 C ATOM 306 CG LEU A 20 -1.036 4.079 -4.901 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.313 2.743 -4.715 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.503 4.595 -3.537 1.00 0.00 C ATOM 0 H LEU A 20 -2.037 5.763 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.155 6.654 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.126 4.813 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.876 5.079 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.899 3.943 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.994 2.021 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.020 2.372 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.550 2.884 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.185 3.872 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.640 4.733 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.017 5.548 -3.665 1.00 0.00 H new ATOM 320 N PRO A 21 1.170 7.791 -4.657 1.00 0.00 N ATOM 321 CA PRO A 21 2.281 8.757 -4.711 1.00 0.00 C ATOM 322 C PRO A 21 3.258 8.385 -5.824 1.00 0.00 C ATOM 323 O PRO A 21 3.314 7.254 -6.264 1.00 0.00 O ATOM 324 CB PRO A 21 2.965 8.644 -3.343 1.00 0.00 C ATOM 325 CG PRO A 21 2.101 7.704 -2.463 1.00 0.00 C ATOM 326 CD PRO A 21 0.973 7.146 -3.346 1.00 0.00 C ATOM 0 HA PRO A 21 1.936 9.770 -4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.974 8.247 -3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.057 9.626 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.707 6.893 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.688 8.248 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.033 6.061 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.007 7.382 -2.932 1.00 0.00 H new ATOM 334 N ASP A 22 4.041 9.325 -6.271 1.00 0.00 N ATOM 335 CA ASP A 22 5.026 9.019 -7.342 1.00 0.00 C ATOM 336 C ASP A 22 6.152 8.169 -6.754 1.00 0.00 C ATOM 337 O ASP A 22 7.036 7.720 -7.456 1.00 0.00 O ATOM 338 CB ASP A 22 5.603 10.324 -7.896 1.00 0.00 C ATOM 339 CG ASP A 22 6.241 11.124 -6.757 1.00 0.00 C ATOM 340 OD1 ASP A 22 6.380 10.572 -5.679 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.581 12.272 -6.985 1.00 0.00 O ATOM 0 H ASP A 22 4.041 10.290 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 22 4.536 8.474 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.346 10.109 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.816 10.910 -8.370 1.00 0.00 H new ATOM 346 N ASN A 23 6.128 7.943 -5.467 1.00 0.00 N ATOM 347 CA ASN A 23 7.198 7.121 -4.837 1.00 0.00 C ATOM 348 C ASN A 23 6.605 5.796 -4.352 1.00 0.00 C ATOM 349 O ASN A 23 7.045 5.234 -3.370 1.00 0.00 O ATOM 350 CB ASN A 23 7.792 7.881 -3.649 1.00 0.00 C ATOM 351 CG ASN A 23 6.678 8.243 -2.665 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.999 9.236 -2.836 1.00 0.00 O ATOM 353 ND2 ASN A 23 6.460 7.474 -1.634 1.00 0.00 N ATOM 0 H ASN A 23 5.414 8.292 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 23 7.981 6.921 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.545 7.269 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.293 8.785 -3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.720 7.706 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.030 6.640 -1.490 1.00 0.00 H new ATOM 360 N TYR A 24 5.612 5.292 -5.031 1.00 0.00 N ATOM 361 CA TYR A 24 4.999 4.002 -4.606 1.00 0.00 C ATOM 362 C TYR A 24 5.264 2.937 -5.671 1.00 0.00 C ATOM 363 O TYR A 24 4.405 2.615 -6.467 1.00 0.00 O ATOM 364 CB TYR A 24 3.489 4.182 -4.429 1.00 0.00 C ATOM 365 CG TYR A 24 3.172 4.411 -2.970 1.00 0.00 C ATOM 366 CD1 TYR A 24 4.148 4.936 -2.113 1.00 0.00 C ATOM 367 CD2 TYR A 24 1.901 4.095 -2.471 1.00 0.00 C ATOM 368 CE1 TYR A 24 3.854 5.146 -0.760 1.00 0.00 C ATOM 369 CE2 TYR A 24 1.608 4.305 -1.119 1.00 0.00 C ATOM 370 CZ TYR A 24 2.584 4.831 -0.263 1.00 0.00 C ATOM 371 OH TYR A 24 2.294 5.038 1.070 1.00 0.00 O ATOM 0 H TYR A 24 5.199 5.717 -5.861 1.00 0.00 H new ATOM 0 HA TYR A 24 5.438 3.688 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.141 5.027 -5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.963 3.299 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.128 5.179 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.148 3.689 -3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.607 5.551 -0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.628 4.061 -0.735 1.00 0.00 H new ATOM 0 HH TYR A 24 2.076 4.182 1.494 1.00 0.00 H new ATOM 381 N ILE A 25 6.445 2.385 -5.687 1.00 0.00 N ATOM 382 CA ILE A 25 6.763 1.339 -6.697 1.00 0.00 C ATOM 383 C ILE A 25 6.426 -0.034 -6.114 1.00 0.00 C ATOM 384 O ILE A 25 6.850 -0.374 -5.029 1.00 0.00 O ATOM 385 CB ILE A 25 8.251 1.395 -7.043 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.075 1.380 -5.753 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.546 2.679 -7.821 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.320 0.514 -5.951 1.00 0.00 C ATOM 0 H ILE A 25 7.203 2.613 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 25 6.178 1.511 -7.601 1.00 0.00 H new ATOM 0 HB ILE A 25 8.515 0.531 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.365 2.395 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.475 0.990 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.607 2.719 -8.068 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.959 2.691 -8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.282 3.543 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.906 0.504 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.019 -0.504 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.923 0.924 -6.761 1.00 0.00 H new ATOM 400 N THR A 26 5.663 -0.821 -6.821 1.00 0.00 N ATOM 401 CA THR A 26 5.298 -2.168 -6.297 1.00 0.00 C ATOM 402 C THR A 26 6.549 -2.862 -5.756 1.00 0.00 C ATOM 403 O THR A 26 7.651 -2.366 -5.883 1.00 0.00 O ATOM 404 CB THR A 26 4.691 -3.007 -7.422 1.00 0.00 C ATOM 405 OG1 THR A 26 5.684 -3.272 -8.403 1.00 0.00 O ATOM 406 CG2 THR A 26 3.529 -2.246 -8.060 1.00 0.00 C ATOM 0 H THR A 26 5.277 -0.591 -7.737 1.00 0.00 H new ATOM 0 HA THR A 26 4.569 -2.060 -5.494 1.00 0.00 H new ATOM 0 HB THR A 26 4.323 -3.949 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.296 -3.811 -9.124 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.098 -2.846 -8.862 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.767 -2.046 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.892 -1.303 -8.468 1.00 0.00 H new ATOM 414 N LYS A 27 6.392 -4.009 -5.150 1.00 0.00 N ATOM 415 CA LYS A 27 7.589 -4.718 -4.605 1.00 0.00 C ATOM 416 C LYS A 27 8.441 -5.234 -5.763 1.00 0.00 C ATOM 417 O LYS A 27 9.643 -5.063 -5.781 1.00 0.00 O ATOM 418 CB LYS A 27 7.190 -5.899 -3.703 1.00 0.00 C ATOM 419 CG LYS A 27 5.686 -5.887 -3.408 1.00 0.00 C ATOM 420 CD LYS A 27 5.365 -6.935 -2.341 1.00 0.00 C ATOM 421 CE LYS A 27 4.576 -8.084 -2.972 1.00 0.00 C ATOM 422 NZ LYS A 27 5.242 -9.378 -2.653 1.00 0.00 N ATOM 0 H LYS A 27 5.499 -4.482 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 27 8.155 -4.008 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.461 -6.837 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.747 -5.850 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.380 -4.899 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.125 -6.096 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.287 -7.313 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.787 -6.483 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.553 -8.087 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.518 -7.949 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.706 -10.159 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.210 -9.373 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.275 -9.506 -1.621 1.00 0.00 H new ATOM 436 N SER A 28 7.833 -5.853 -6.738 1.00 0.00 N ATOM 437 CA SER A 28 8.624 -6.360 -7.894 1.00 0.00 C ATOM 438 C SER A 28 9.481 -5.217 -8.429 1.00 0.00 C ATOM 439 O SER A 28 10.608 -5.405 -8.849 1.00 0.00 O ATOM 440 CB SER A 28 7.676 -6.848 -8.990 1.00 0.00 C ATOM 441 OG SER A 28 6.944 -7.970 -8.514 1.00 0.00 O ATOM 0 H SER A 28 6.829 -6.029 -6.784 1.00 0.00 H new ATOM 0 HA SER A 28 9.258 -7.189 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.993 -6.049 -9.278 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.242 -7.120 -9.881 1.00 0.00 H new ATOM 0 HG SER A 28 6.334 -8.284 -9.214 1.00 0.00 H new ATOM 447 N GLU A 29 8.954 -4.023 -8.401 1.00 0.00 N ATOM 448 CA GLU A 29 9.732 -2.857 -8.891 1.00 0.00 C ATOM 449 C GLU A 29 10.998 -2.726 -8.051 1.00 0.00 C ATOM 450 O GLU A 29 12.077 -2.513 -8.567 1.00 0.00 O ATOM 451 CB GLU A 29 8.893 -1.585 -8.759 1.00 0.00 C ATOM 452 CG GLU A 29 8.119 -1.345 -10.056 1.00 0.00 C ATOM 453 CD GLU A 29 9.086 -0.891 -11.153 1.00 0.00 C ATOM 454 OE1 GLU A 29 10.065 -0.243 -10.821 1.00 0.00 O ATOM 455 OE2 GLU A 29 8.830 -1.201 -12.305 1.00 0.00 O ATOM 0 H GLU A 29 8.017 -3.808 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 29 9.995 -3.000 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.201 -1.679 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.538 -0.732 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.609 -2.259 -10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.350 -0.588 -9.898 1.00 0.00 H new ATOM 462 N ALA A 30 10.883 -2.870 -6.758 1.00 0.00 N ATOM 463 CA ALA A 30 12.094 -2.769 -5.901 1.00 0.00 C ATOM 464 C ALA A 30 13.036 -3.913 -6.261 1.00 0.00 C ATOM 465 O ALA A 30 14.243 -3.770 -6.244 1.00 0.00 O ATOM 466 CB ALA A 30 11.697 -2.870 -4.427 1.00 0.00 C ATOM 0 H ALA A 30 10.010 -3.052 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 30 12.588 -1.811 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.588 -2.795 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.012 -2.060 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.208 -3.827 -4.247 1.00 0.00 H new ATOM 472 N GLN A 31 12.491 -5.049 -6.604 1.00 0.00 N ATOM 473 CA GLN A 31 13.351 -6.199 -6.984 1.00 0.00 C ATOM 474 C GLN A 31 14.149 -5.817 -8.229 1.00 0.00 C ATOM 475 O GLN A 31 15.301 -6.172 -8.377 1.00 0.00 O ATOM 476 CB GLN A 31 12.477 -7.418 -7.288 1.00 0.00 C ATOM 477 CG GLN A 31 12.327 -8.268 -6.025 1.00 0.00 C ATOM 478 CD GLN A 31 11.670 -9.603 -6.382 1.00 0.00 C ATOM 479 OE1 GLN A 31 10.479 -9.771 -6.218 1.00 0.00 O ATOM 480 NE2 GLN A 31 12.403 -10.567 -6.869 1.00 0.00 N ATOM 0 H GLN A 31 11.487 -5.227 -6.637 1.00 0.00 H new ATOM 0 HA GLN A 31 14.028 -6.445 -6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.497 -7.097 -7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.925 -8.010 -8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.303 -8.441 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.723 -7.739 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.404 -10.427 -7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.975 -11.461 -7.111 1.00 0.00 H new ATOM 489 N ALA A 32 13.538 -5.091 -9.128 1.00 0.00 N ATOM 490 CA ALA A 32 14.254 -4.678 -10.361 1.00 0.00 C ATOM 491 C ALA A 32 15.489 -3.865 -9.989 1.00 0.00 C ATOM 492 O ALA A 32 16.535 -3.977 -10.599 1.00 0.00 O ATOM 493 CB ALA A 32 13.326 -3.829 -11.233 1.00 0.00 C ATOM 0 H ALA A 32 12.573 -4.768 -9.058 1.00 0.00 H new ATOM 0 HA ALA A 32 14.560 -5.566 -10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.853 -3.526 -12.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.446 -4.413 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.017 -2.942 -10.679 1.00 0.00 H new ATOM 499 N LEU A 33 15.368 -3.046 -8.993 1.00 0.00 N ATOM 500 CA LEU A 33 16.519 -2.205 -8.557 1.00 0.00 C ATOM 501 C LEU A 33 17.460 -3.024 -7.674 1.00 0.00 C ATOM 502 O LEU A 33 18.571 -2.623 -7.389 1.00 0.00 O ATOM 503 CB LEU A 33 15.990 -1.006 -7.783 1.00 0.00 C ATOM 504 CG LEU A 33 15.263 -0.086 -8.757 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.753 -0.256 -8.593 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.662 1.360 -8.474 1.00 0.00 C ATOM 0 H LEU A 33 14.513 -2.917 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 33 17.073 -1.861 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.313 -1.333 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.810 -0.475 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 33 15.537 -0.341 -9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.235 0.403 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.479 -1.291 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.467 -0.001 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.145 2.023 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.388 1.620 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.739 1.472 -8.600 1.00 0.00 H new ATOM 518 N GLY A 34 17.021 -4.169 -7.240 1.00 0.00 N ATOM 519 CA GLY A 34 17.885 -5.022 -6.373 1.00 0.00 C ATOM 520 C GLY A 34 17.323 -5.044 -4.951 1.00 0.00 C ATOM 521 O GLY A 34 17.910 -4.505 -4.033 1.00 0.00 O ATOM 0 H GLY A 34 16.100 -4.555 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.931 -6.035 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.904 -4.636 -6.366 1.00 0.00 H new ATOM 525 N TRP A 35 16.192 -5.664 -4.760 1.00 0.00 N ATOM 526 CA TRP A 35 15.591 -5.722 -3.396 1.00 0.00 C ATOM 527 C TRP A 35 15.064 -7.136 -3.138 1.00 0.00 C ATOM 528 O TRP A 35 14.210 -7.630 -3.847 1.00 0.00 O ATOM 529 CB TRP A 35 14.440 -4.707 -3.305 1.00 0.00 C ATOM 530 CG TRP A 35 13.487 -5.090 -2.211 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.706 -4.915 -0.887 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.172 -5.707 -2.328 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.608 -5.383 -0.186 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.637 -5.881 -1.031 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.398 -6.127 -3.425 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.379 -6.453 -0.829 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.134 -6.703 -3.226 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.625 -6.865 -1.930 1.00 0.00 C ATOM 0 H TRP A 35 15.656 -6.134 -5.490 1.00 0.00 H new ATOM 0 HA TRP A 35 16.344 -5.477 -2.647 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.840 -3.711 -3.115 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.911 -4.662 -4.257 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.593 -4.481 -0.449 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.526 -5.362 0.831 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.780 -6.005 -4.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.992 -6.576 0.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.550 -7.023 -4.076 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.651 -7.308 -1.783 1.00 0.00 H new ATOM 549 N VAL A 36 15.557 -7.785 -2.120 1.00 0.00 N ATOM 550 CA VAL A 36 15.069 -9.156 -1.812 1.00 0.00 C ATOM 551 C VAL A 36 13.879 -9.050 -0.861 1.00 0.00 C ATOM 552 O VAL A 36 14.004 -8.573 0.248 1.00 0.00 O ATOM 553 CB VAL A 36 16.188 -9.966 -1.150 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.413 -9.460 0.277 1.00 0.00 C ATOM 555 CG2 VAL A 36 15.786 -11.442 -1.108 1.00 0.00 C ATOM 0 H VAL A 36 16.275 -7.426 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 36 14.766 -9.657 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 36 17.108 -9.852 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.209 -10.037 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.696 -8.408 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.494 -9.574 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.580 -12.022 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.866 -11.552 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 36 15.625 -11.804 -2.123 1.00 0.00 H new ATOM 565 N ALA A 37 12.724 -9.475 -1.287 1.00 0.00 N ATOM 566 CA ALA A 37 11.530 -9.385 -0.402 1.00 0.00 C ATOM 567 C ALA A 37 11.667 -10.389 0.746 1.00 0.00 C ATOM 568 O ALA A 37 11.146 -11.485 0.688 1.00 0.00 O ATOM 569 CB ALA A 37 10.270 -9.703 -1.210 1.00 0.00 C ATOM 0 H ALA A 37 12.555 -9.880 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 37 11.456 -8.376 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.396 -9.637 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.171 -8.988 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.344 -10.711 -1.618 1.00 0.00 H new ATOM 575 N SER A 38 12.363 -10.026 1.790 1.00 0.00 N ATOM 576 CA SER A 38 12.530 -10.964 2.937 1.00 0.00 C ATOM 577 C SER A 38 13.622 -10.439 3.872 1.00 0.00 C ATOM 578 O SER A 38 13.368 -10.105 5.013 1.00 0.00 O ATOM 579 CB SER A 38 12.926 -12.344 2.413 1.00 0.00 C ATOM 580 OG SER A 38 11.813 -13.223 2.516 1.00 0.00 O ATOM 0 H SER A 38 12.822 -9.122 1.898 1.00 0.00 H new ATOM 0 HA SER A 38 11.590 -11.040 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.252 -12.272 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.767 -12.735 2.985 1.00 0.00 H new ATOM 0 HG SER A 38 11.121 -12.951 1.877 1.00 0.00 H new ATOM 586 N LYS A 39 14.837 -10.365 3.399 1.00 0.00 N ATOM 587 CA LYS A 39 15.943 -9.864 4.263 1.00 0.00 C ATOM 588 C LYS A 39 15.557 -8.505 4.850 1.00 0.00 C ATOM 589 O LYS A 39 16.070 -8.092 5.872 1.00 0.00 O ATOM 590 CB LYS A 39 17.217 -9.714 3.427 1.00 0.00 C ATOM 591 CG LYS A 39 17.754 -11.099 3.062 1.00 0.00 C ATOM 592 CD LYS A 39 19.268 -11.134 3.279 1.00 0.00 C ATOM 593 CE LYS A 39 19.926 -10.004 2.484 1.00 0.00 C ATOM 594 NZ LYS A 39 20.701 -10.581 1.349 1.00 0.00 N ATOM 0 H LYS A 39 15.111 -10.630 2.453 1.00 0.00 H new ATOM 0 HA LYS A 39 16.120 -10.573 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.006 -9.144 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.968 -9.157 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.271 -11.861 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.520 -11.329 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.496 -11.027 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.669 -12.097 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.166 -9.319 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.585 -9.425 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.148 -9.813 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.435 -11.218 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.061 -11.115 0.727 1.00 0.00 H new ATOM 608 N GLY A 40 14.658 -7.807 4.213 1.00 0.00 N ATOM 609 CA GLY A 40 14.241 -6.475 4.735 1.00 0.00 C ATOM 610 C GLY A 40 15.380 -5.472 4.548 1.00 0.00 C ATOM 611 O GLY A 40 16.055 -5.102 5.489 1.00 0.00 O ATOM 0 H GLY A 40 14.194 -8.101 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.350 -6.130 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.980 -6.552 5.791 1.00 0.00 H new ATOM 615 N ASN A 41 15.600 -5.026 3.341 1.00 0.00 N ATOM 616 CA ASN A 41 16.697 -4.045 3.100 1.00 0.00 C ATOM 617 C ASN A 41 16.271 -3.053 2.012 1.00 0.00 C ATOM 618 O ASN A 41 17.090 -2.509 1.299 1.00 0.00 O ATOM 619 CB ASN A 41 17.972 -4.794 2.674 1.00 0.00 C ATOM 620 CG ASN A 41 17.986 -5.026 1.157 1.00 0.00 C ATOM 621 OD1 ASN A 41 16.866 -5.263 0.530 1.00 0.00 O flip ATOM 622 ND2 ASN A 41 19.030 -4.992 0.538 1.00 0.00 N flip ATOM 0 H ASN A 41 15.069 -5.297 2.513 1.00 0.00 H new ATOM 0 HA ASN A 41 16.903 -3.492 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.851 -4.220 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.028 -5.751 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 41 19.906 -4.807 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 41 19.031 -5.148 -0.470 1.00 0.00 H new ATOM 629 N LEU A 42 14.995 -2.812 1.884 1.00 0.00 N ATOM 630 CA LEU A 42 14.517 -1.853 0.846 1.00 0.00 C ATOM 631 C LEU A 42 15.259 -0.529 1.001 1.00 0.00 C ATOM 632 O LEU A 42 16.017 -0.122 0.146 1.00 0.00 O ATOM 633 CB LEU A 42 13.019 -1.608 1.036 1.00 0.00 C ATOM 634 CG LEU A 42 12.439 -0.931 -0.210 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.896 -1.675 -1.467 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.911 -0.956 -0.137 1.00 0.00 C ATOM 0 H LEU A 42 14.263 -3.237 2.453 1.00 0.00 H new ATOM 0 HA LEU A 42 14.702 -2.267 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.507 -2.553 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.852 -0.981 1.912 1.00 0.00 H new ATOM 0 HG LEU A 42 12.790 0.100 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.480 -1.188 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.984 -1.660 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.549 -2.708 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.496 -0.475 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.566 -1.989 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.581 -0.422 0.754 1.00 0.00 H new ATOM 648 N ALA A 43 15.037 0.148 2.088 1.00 0.00 N ATOM 649 CA ALA A 43 15.720 1.454 2.311 1.00 0.00 C ATOM 650 C ALA A 43 17.213 1.330 1.981 1.00 0.00 C ATOM 651 O ALA A 43 17.877 2.307 1.696 1.00 0.00 O ATOM 652 CB ALA A 43 15.559 1.867 3.775 1.00 0.00 C ATOM 0 H ALA A 43 14.410 -0.146 2.837 1.00 0.00 H new ATOM 0 HA ALA A 43 15.271 2.206 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.058 2.822 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.499 1.965 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.005 1.108 4.418 1.00 0.00 H new ATOM 658 N ASP A 44 17.750 0.140 2.029 1.00 0.00 N ATOM 659 CA ASP A 44 19.202 -0.038 1.733 1.00 0.00 C ATOM 660 C ASP A 44 19.442 -0.053 0.219 1.00 0.00 C ATOM 661 O ASP A 44 20.407 0.504 -0.266 1.00 0.00 O ATOM 662 CB ASP A 44 19.681 -1.361 2.332 1.00 0.00 C ATOM 663 CG ASP A 44 21.200 -1.321 2.512 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.889 -1.146 1.520 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.647 -1.465 3.637 1.00 0.00 O ATOM 0 H ASP A 44 17.246 -0.716 2.260 1.00 0.00 H new ATOM 0 HA ASP A 44 19.755 0.793 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.195 -1.535 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.403 -2.189 1.680 1.00 0.00 H new ATOM 670 N VAL A 45 18.586 -0.690 -0.531 1.00 0.00 N ATOM 671 CA VAL A 45 18.794 -0.738 -2.012 1.00 0.00 C ATOM 672 C VAL A 45 18.034 0.406 -2.691 1.00 0.00 C ATOM 673 O VAL A 45 18.607 1.189 -3.422 1.00 0.00 O ATOM 674 CB VAL A 45 18.315 -2.084 -2.577 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.489 -3.064 -2.613 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.202 -2.666 -1.702 1.00 0.00 C ATOM 0 H VAL A 45 17.757 -1.177 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 45 19.860 -0.628 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 45 17.928 -1.925 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.153 -4.020 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.279 -2.662 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.873 -3.209 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.874 -3.619 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.577 -2.820 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.361 -1.974 -1.675 1.00 0.00 H new ATOM 686 N ALA A 46 16.753 0.512 -2.466 1.00 0.00 N ATOM 687 CA ALA A 46 15.974 1.609 -3.111 1.00 0.00 C ATOM 688 C ALA A 46 15.318 2.487 -2.039 1.00 0.00 C ATOM 689 O ALA A 46 14.119 2.435 -1.849 1.00 0.00 O ATOM 690 CB ALA A 46 14.889 1.002 -4.004 1.00 0.00 C ATOM 0 H ALA A 46 16.213 -0.111 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 46 16.647 2.221 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.318 1.801 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.354 0.384 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.222 0.388 -3.399 1.00 0.00 H new ATOM 696 N PRO A 47 16.126 3.273 -1.370 1.00 0.00 N ATOM 697 CA PRO A 47 15.644 4.180 -0.313 1.00 0.00 C ATOM 698 C PRO A 47 14.698 5.230 -0.903 1.00 0.00 C ATOM 699 O PRO A 47 14.418 5.234 -2.085 1.00 0.00 O ATOM 700 CB PRO A 47 16.909 4.852 0.237 1.00 0.00 C ATOM 701 CG PRO A 47 18.114 4.339 -0.594 1.00 0.00 C ATOM 702 CD PRO A 47 17.579 3.320 -1.611 1.00 0.00 C ATOM 0 HA PRO A 47 15.088 3.651 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.828 5.937 0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.042 4.612 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.607 5.167 -1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.858 3.877 0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.800 3.628 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 47 18.036 2.341 -1.467 1.00 0.00 H new ATOM 710 N GLY A 48 14.209 6.125 -0.086 1.00 0.00 N ATOM 711 CA GLY A 48 13.287 7.178 -0.597 1.00 0.00 C ATOM 712 C GLY A 48 12.272 6.557 -1.558 1.00 0.00 C ATOM 713 O GLY A 48 12.015 7.076 -2.625 1.00 0.00 O ATOM 0 H GLY A 48 14.409 6.171 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.769 7.655 0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.856 7.956 -1.107 1.00 0.00 H new ATOM 717 N LYS A 49 11.689 5.451 -1.186 1.00 0.00 N ATOM 718 CA LYS A 49 10.688 4.803 -2.079 1.00 0.00 C ATOM 719 C LYS A 49 9.652 4.066 -1.231 1.00 0.00 C ATOM 720 O LYS A 49 9.832 3.866 -0.047 1.00 0.00 O ATOM 721 CB LYS A 49 11.393 3.807 -3.004 1.00 0.00 C ATOM 722 CG LYS A 49 11.268 4.283 -4.454 1.00 0.00 C ATOM 723 CD LYS A 49 12.203 3.462 -5.344 1.00 0.00 C ATOM 724 CE LYS A 49 12.683 4.325 -6.514 1.00 0.00 C ATOM 725 NZ LYS A 49 13.749 5.253 -6.042 1.00 0.00 N ATOM 0 H LYS A 49 11.862 4.969 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 49 10.192 5.565 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.444 3.719 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.950 2.817 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.238 4.177 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.519 5.341 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.056 3.109 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.684 2.579 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.066 3.691 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.849 4.892 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.260 5.640 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.318 6.031 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.414 4.736 -5.432 1.00 0.00 H new ATOM 739 N SER A 50 8.566 3.661 -1.828 1.00 0.00 N ATOM 740 CA SER A 50 7.516 2.938 -1.059 1.00 0.00 C ATOM 741 C SER A 50 6.924 1.829 -1.929 1.00 0.00 C ATOM 742 O SER A 50 7.075 1.826 -3.135 1.00 0.00 O ATOM 743 CB SER A 50 6.411 3.915 -0.660 1.00 0.00 C ATOM 744 OG SER A 50 6.566 4.265 0.709 1.00 0.00 O ATOM 0 H SER A 50 8.360 3.800 -2.817 1.00 0.00 H new ATOM 0 HA SER A 50 7.957 2.503 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.457 4.808 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.433 3.462 -0.823 1.00 0.00 H new ATOM 0 HG SER A 50 7.518 4.266 0.941 1.00 0.00 H new ATOM 750 N ILE A 51 6.251 0.887 -1.328 1.00 0.00 N ATOM 751 CA ILE A 51 5.650 -0.219 -2.123 1.00 0.00 C ATOM 752 C ILE A 51 4.125 -0.084 -2.113 1.00 0.00 C ATOM 753 O ILE A 51 3.494 -0.150 -1.077 1.00 0.00 O ATOM 754 CB ILE A 51 6.048 -1.562 -1.509 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.521 -1.518 -1.085 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.843 -2.675 -2.539 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.422 -1.617 -2.320 1.00 0.00 C ATOM 0 H ILE A 51 6.092 0.836 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 51 6.012 -0.168 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 51 5.427 -1.759 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.726 -0.592 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.736 -2.338 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.127 -3.632 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.795 -2.708 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.462 -2.479 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.467 -1.585 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.225 -2.555 -2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.216 -0.782 -2.989 1.00 0.00 H new ATOM 769 N GLY A 52 3.527 0.105 -3.258 1.00 0.00 N ATOM 770 CA GLY A 52 2.044 0.245 -3.306 1.00 0.00 C ATOM 771 C GLY A 52 1.553 -0.009 -4.731 1.00 0.00 C ATOM 772 O GLY A 52 2.296 0.108 -5.686 1.00 0.00 O ATOM 0 H GLY A 52 4.000 0.168 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.579 -0.462 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.752 1.244 -2.982 1.00 0.00 H new ATOM 776 N GLY A 53 0.304 -0.358 -4.885 1.00 0.00 N ATOM 777 CA GLY A 53 -0.232 -0.619 -6.251 1.00 0.00 C ATOM 778 C GLY A 53 -0.159 -2.116 -6.552 1.00 0.00 C ATOM 779 O GLY A 53 -0.381 -2.546 -7.666 1.00 0.00 O ATOM 0 H GLY A 53 -0.367 -0.473 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.263 -0.274 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.342 -0.060 -6.991 1.00 0.00 H new ATOM 783 N ASP A 54 0.150 -2.915 -5.567 1.00 0.00 N ATOM 784 CA ASP A 54 0.235 -4.384 -5.801 1.00 0.00 C ATOM 785 C ASP A 54 -1.155 -5.003 -5.650 1.00 0.00 C ATOM 786 O ASP A 54 -1.933 -4.606 -4.805 1.00 0.00 O ATOM 787 CB ASP A 54 1.186 -5.010 -4.779 1.00 0.00 C ATOM 788 CG ASP A 54 2.530 -4.280 -4.818 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.586 -3.214 -5.406 1.00 0.00 O ATOM 790 OD2 ASP A 54 3.482 -4.803 -4.260 1.00 0.00 O ATOM 0 H ASP A 54 0.347 -2.614 -4.612 1.00 0.00 H new ATOM 0 HA ASP A 54 0.610 -4.571 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.755 -4.948 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.328 -6.068 -4.999 1.00 0.00 H new ATOM 795 N ILE A 55 -1.475 -5.972 -6.461 1.00 0.00 N ATOM 796 CA ILE A 55 -2.815 -6.614 -6.362 1.00 0.00 C ATOM 797 C ILE A 55 -3.058 -7.062 -4.920 1.00 0.00 C ATOM 798 O ILE A 55 -2.138 -7.396 -4.200 1.00 0.00 O ATOM 799 CB ILE A 55 -2.870 -7.828 -7.292 1.00 0.00 C ATOM 800 CG1 ILE A 55 -2.927 -7.352 -8.745 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.119 -8.655 -6.978 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.244 -6.613 -8.989 1.00 0.00 C ATOM 0 H ILE A 55 -0.866 -6.347 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.584 -5.899 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.981 -8.441 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.084 -6.694 -8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.845 -8.203 -9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.159 -9.520 -7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.081 -8.992 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.008 -8.042 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.285 -6.274 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.080 -7.285 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.307 -5.753 -8.323 1.00 0.00 H new ATOM 814 N PHE A 56 -4.291 -7.072 -4.490 1.00 0.00 N ATOM 815 CA PHE A 56 -4.587 -7.499 -3.094 1.00 0.00 C ATOM 816 C PHE A 56 -5.327 -8.838 -3.113 1.00 0.00 C ATOM 817 O PHE A 56 -6.127 -9.103 -3.987 1.00 0.00 O ATOM 818 CB PHE A 56 -5.460 -6.444 -2.409 1.00 0.00 C ATOM 819 CG PHE A 56 -5.964 -6.989 -1.094 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.066 -7.234 -0.048 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.328 -7.247 -0.920 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.533 -7.738 1.171 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.796 -7.751 0.299 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.898 -7.996 1.346 1.00 0.00 C ATOM 0 H PHE A 56 -5.104 -6.803 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.652 -7.609 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.885 -5.533 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.300 -6.178 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.013 -7.034 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.020 -7.057 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.840 -7.928 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.849 -7.951 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.258 -8.384 2.287 1.00 0.00 H new ATOM 834 N SER A 57 -5.067 -9.681 -2.152 1.00 0.00 N ATOM 835 CA SER A 57 -5.757 -11.000 -2.113 1.00 0.00 C ATOM 836 C SER A 57 -7.241 -10.810 -2.415 1.00 0.00 C ATOM 837 O SER A 57 -7.661 -10.816 -3.555 1.00 0.00 O ATOM 838 CB SER A 57 -5.587 -11.621 -0.725 1.00 0.00 C ATOM 839 OG SER A 57 -4.333 -12.287 -0.660 1.00 0.00 O ATOM 0 H SER A 57 -4.407 -9.513 -1.393 1.00 0.00 H new ATOM 0 HA SER A 57 -5.321 -11.662 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.641 -10.848 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.396 -12.324 -0.527 1.00 0.00 H new ATOM 0 HG SER A 57 -4.220 -12.685 0.228 1.00 0.00 H new ATOM 845 N ASN A 58 -8.036 -10.643 -1.402 1.00 0.00 N ATOM 846 CA ASN A 58 -9.498 -10.452 -1.615 1.00 0.00 C ATOM 847 C ASN A 58 -10.139 -11.791 -1.989 1.00 0.00 C ATOM 848 O ASN A 58 -11.312 -11.861 -2.299 1.00 0.00 O ATOM 849 CB ASN A 58 -9.725 -9.446 -2.746 1.00 0.00 C ATOM 850 CG ASN A 58 -11.164 -8.932 -2.691 1.00 0.00 C ATOM 851 OD1 ASN A 58 -11.571 -8.278 -1.638 1.00 0.00 O flip ATOM 852 ND2 ASN A 58 -11.927 -9.129 -3.617 1.00 0.00 N flip ATOM 0 H ASN A 58 -7.737 -10.630 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.950 -10.075 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.027 -8.614 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.533 -9.917 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.609 -9.640 -4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.885 -8.783 -3.571 1.00 0.00 H new ATOM 859 N ARG A 59 -9.382 -12.853 -1.959 1.00 0.00 N ATOM 860 CA ARG A 59 -9.952 -14.183 -2.312 1.00 0.00 C ATOM 861 C ARG A 59 -10.920 -14.626 -1.213 1.00 0.00 C ATOM 862 O ARG A 59 -11.835 -15.391 -1.449 1.00 0.00 O ATOM 863 CB ARG A 59 -8.822 -15.206 -2.439 1.00 0.00 C ATOM 864 CG ARG A 59 -8.564 -15.501 -3.918 1.00 0.00 C ATOM 865 CD ARG A 59 -7.165 -16.095 -4.084 1.00 0.00 C ATOM 866 NE ARG A 59 -7.207 -17.183 -5.101 1.00 0.00 N ATOM 867 CZ ARG A 59 -6.098 -17.631 -5.625 1.00 0.00 C ATOM 868 NH1 ARG A 59 -5.137 -16.801 -5.925 1.00 0.00 N ATOM 869 NH2 ARG A 59 -5.952 -18.908 -5.847 1.00 0.00 N ATOM 0 H ARG A 59 -8.394 -12.857 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.484 -14.112 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.916 -14.823 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.088 -16.124 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.313 -16.196 -4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.654 -14.586 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.463 -15.320 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.809 -16.486 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.102 -17.578 -5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.252 -15.803 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.271 -17.150 -6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.704 -19.556 -5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.086 -19.259 -6.256 1.00 0.00 H new ATOM 883 N GLU A 60 -10.727 -14.151 -0.014 1.00 0.00 N ATOM 884 CA GLU A 60 -11.635 -14.545 1.099 1.00 0.00 C ATOM 885 C GLU A 60 -12.865 -13.636 1.099 1.00 0.00 C ATOM 886 O GLU A 60 -13.914 -13.996 0.603 1.00 0.00 O ATOM 887 CB GLU A 60 -10.897 -14.408 2.433 1.00 0.00 C ATOM 888 CG GLU A 60 -10.727 -15.791 3.065 1.00 0.00 C ATOM 889 CD GLU A 60 -9.370 -15.870 3.765 1.00 0.00 C ATOM 890 OE1 GLU A 60 -8.477 -15.140 3.366 1.00 0.00 O ATOM 891 OE2 GLU A 60 -9.245 -16.658 4.687 1.00 0.00 O ATOM 0 H GLU A 60 -9.979 -13.507 0.243 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.949 -15.580 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.922 -13.946 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.455 -13.755 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.528 -15.976 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.798 -16.563 2.299 1.00 0.00 H new ATOM 898 N GLY A 61 -12.747 -12.459 1.651 1.00 0.00 N ATOM 899 CA GLY A 61 -13.913 -11.531 1.678 1.00 0.00 C ATOM 900 C GLY A 61 -13.751 -10.530 2.824 1.00 0.00 C ATOM 901 O GLY A 61 -14.698 -10.197 3.507 1.00 0.00 O ATOM 0 H GLY A 61 -11.896 -12.101 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.990 -11.001 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.837 -12.096 1.804 1.00 0.00 H new ATOM 905 N LYS A 62 -12.558 -10.045 3.040 1.00 0.00 N ATOM 906 CA LYS A 62 -12.344 -9.063 4.142 1.00 0.00 C ATOM 907 C LYS A 62 -12.593 -7.646 3.620 1.00 0.00 C ATOM 908 O LYS A 62 -12.639 -6.694 4.375 1.00 0.00 O ATOM 909 CB LYS A 62 -10.908 -9.177 4.658 1.00 0.00 C ATOM 910 CG LYS A 62 -10.795 -10.392 5.581 1.00 0.00 C ATOM 911 CD LYS A 62 -9.323 -10.664 5.893 1.00 0.00 C ATOM 912 CE LYS A 62 -9.129 -12.155 6.173 1.00 0.00 C ATOM 913 NZ LYS A 62 -9.720 -12.492 7.499 1.00 0.00 N ATOM 0 H LYS A 62 -11.725 -10.285 2.503 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.037 -9.275 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.216 -9.276 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.630 -8.271 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.346 -10.212 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.244 -11.265 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.699 -10.356 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.008 -10.077 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.603 -12.748 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.068 -12.403 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.588 -13.506 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.249 -11.936 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.736 -12.270 7.493 1.00 0.00 H new ATOM 927 N LEU A 63 -12.762 -7.503 2.336 1.00 0.00 N ATOM 928 CA LEU A 63 -13.018 -6.153 1.758 1.00 0.00 C ATOM 929 C LEU A 63 -14.320 -6.198 0.952 1.00 0.00 C ATOM 930 O LEU A 63 -14.681 -7.231 0.424 1.00 0.00 O ATOM 931 CB LEU A 63 -11.861 -5.761 0.835 1.00 0.00 C ATOM 932 CG LEU A 63 -10.666 -5.294 1.669 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.393 -5.389 0.829 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.875 -3.842 2.099 1.00 0.00 C ATOM 0 H LEU A 63 -12.734 -8.265 1.659 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.102 -5.419 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.574 -6.611 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.177 -4.966 0.159 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.574 -5.926 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.541 -5.057 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.238 -6.422 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.491 -4.756 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.023 -3.512 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.968 -3.211 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.784 -3.767 2.696 1.00 0.00 H new ATOM 946 N PRO A 64 -14.987 -5.076 0.882 1.00 0.00 N ATOM 947 CA PRO A 64 -16.258 -4.964 0.144 1.00 0.00 C ATOM 948 C PRO A 64 -16.049 -5.322 -1.331 1.00 0.00 C ATOM 949 O PRO A 64 -15.834 -4.462 -2.162 1.00 0.00 O ATOM 950 CB PRO A 64 -16.673 -3.494 0.295 1.00 0.00 C ATOM 951 CG PRO A 64 -15.611 -2.795 1.182 1.00 0.00 C ATOM 952 CD PRO A 64 -14.532 -3.833 1.529 1.00 0.00 C ATOM 0 HA PRO A 64 -17.021 -5.643 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.735 -3.012 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.661 -3.420 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.171 -1.948 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.070 -2.403 2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.554 -3.528 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.437 -3.960 2.607 1.00 0.00 H new ATOM 960 N GLY A 65 -16.109 -6.584 -1.658 1.00 0.00 N ATOM 961 CA GLY A 65 -15.913 -6.996 -3.077 1.00 0.00 C ATOM 962 C GLY A 65 -16.505 -8.391 -3.291 1.00 0.00 C ATOM 963 O GLY A 65 -16.368 -9.268 -2.461 1.00 0.00 O ATOM 0 H GLY A 65 -16.285 -7.347 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.393 -6.280 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.851 -6.999 -3.322 1.00 0.00 H new ATOM 967 N LYS A 66 -17.165 -8.603 -4.398 1.00 0.00 N ATOM 968 CA LYS A 66 -17.765 -9.941 -4.664 1.00 0.00 C ATOM 969 C LYS A 66 -16.913 -10.688 -5.692 1.00 0.00 C ATOM 970 O LYS A 66 -15.799 -10.302 -5.989 1.00 0.00 O ATOM 971 CB LYS A 66 -19.184 -9.764 -5.207 1.00 0.00 C ATOM 972 CG LYS A 66 -20.002 -8.911 -4.236 1.00 0.00 C ATOM 973 CD LYS A 66 -21.458 -9.383 -4.245 1.00 0.00 C ATOM 974 CE LYS A 66 -22.387 -8.171 -4.327 1.00 0.00 C ATOM 975 NZ LYS A 66 -23.095 -8.175 -5.638 1.00 0.00 N ATOM 0 H LYS A 66 -17.314 -7.907 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.800 -10.514 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -19.152 -9.288 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -19.657 -10.737 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.589 -8.989 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.947 -7.861 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.631 -10.045 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.671 -9.957 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.110 -8.198 -3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.813 -7.251 -4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.727 -7.351 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.398 -8.130 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.655 -9.047 -5.728 1.00 0.00 H new ATOM 989 N SER A 67 -17.427 -11.756 -6.240 1.00 0.00 N ATOM 990 CA SER A 67 -16.646 -12.525 -7.249 1.00 0.00 C ATOM 991 C SER A 67 -16.499 -11.695 -8.525 1.00 0.00 C ATOM 992 O SER A 67 -17.363 -11.696 -9.380 1.00 0.00 O ATOM 993 CB SER A 67 -17.375 -13.830 -7.572 1.00 0.00 C ATOM 994 OG SER A 67 -17.510 -14.599 -6.385 1.00 0.00 O ATOM 0 H SER A 67 -18.354 -12.128 -6.032 1.00 0.00 H new ATOM 0 HA SER A 67 -15.658 -12.749 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.357 -13.616 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.821 -14.393 -8.323 1.00 0.00 H new ATOM 0 HG SER A 67 -17.978 -15.435 -6.589 1.00 0.00 H new ATOM 1000 N GLY A 68 -15.412 -10.987 -8.662 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.212 -10.158 -9.885 1.00 0.00 C ATOM 1002 C GLY A 68 -14.675 -8.781 -9.488 1.00 0.00 C ATOM 1003 O GLY A 68 -14.324 -7.976 -10.327 1.00 0.00 O ATOM 0 H GLY A 68 -14.654 -10.946 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.513 -10.651 -10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.154 -10.051 -10.423 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.609 -8.503 -8.214 1.00 0.00 N ATOM 1008 CA ARG A 69 -14.095 -7.178 -7.766 1.00 0.00 C ATOM 1009 C ARG A 69 -12.598 -7.285 -7.474 1.00 0.00 C ATOM 1010 O ARG A 69 -12.140 -8.235 -6.871 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.833 -6.748 -6.497 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.734 -5.231 -6.338 1.00 0.00 C ATOM 1013 CD ARG A 69 -16.057 -4.685 -5.798 1.00 0.00 C ATOM 1014 NE ARG A 69 -16.223 -3.264 -6.220 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.187 -2.471 -6.275 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -14.740 -1.904 -5.188 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -14.598 -2.244 -7.418 1.00 0.00 N ATOM 0 H ARG A 69 -14.889 -9.136 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.260 -6.439 -8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.879 -7.051 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.402 -7.244 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.920 -4.979 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.503 -4.769 -7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -16.888 -5.284 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -16.074 -4.756 -4.710 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.148 -2.911 -6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.200 -2.080 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.931 -1.285 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.947 -2.686 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.789 -1.624 -7.461 1.00 0.00 H new ATOM 1031 N THR A 70 -11.831 -6.317 -7.896 1.00 0.00 N ATOM 1032 CA THR A 70 -10.364 -6.363 -7.642 1.00 0.00 C ATOM 1033 C THR A 70 -10.002 -5.340 -6.563 1.00 0.00 C ATOM 1034 O THR A 70 -10.644 -4.318 -6.424 1.00 0.00 O ATOM 1035 CB THR A 70 -9.612 -6.031 -8.933 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.541 -5.893 -9.998 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.626 -7.156 -9.255 1.00 0.00 C ATOM 0 H THR A 70 -12.158 -5.496 -8.406 1.00 0.00 H new ATOM 0 HA THR A 70 -10.084 -7.361 -7.305 1.00 0.00 H new ATOM 0 HB THR A 70 -9.065 -5.097 -8.805 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.061 -5.679 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.091 -6.919 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.913 -7.260 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.171 -8.091 -9.383 1.00 0.00 H new ATOM 1045 N TRP A 71 -8.977 -5.605 -5.801 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.575 -4.646 -4.733 1.00 0.00 C ATOM 1047 C TRP A 71 -7.090 -4.313 -4.877 1.00 0.00 C ATOM 1048 O TRP A 71 -6.276 -5.168 -5.163 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.821 -5.273 -3.359 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.232 -5.021 -2.942 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.285 -5.809 -3.252 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.762 -3.923 -2.145 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.429 -5.265 -2.698 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.158 -4.100 -2.005 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.172 -2.799 -1.536 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.941 -3.197 -1.286 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.959 -1.888 -0.812 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.340 -2.087 -0.688 1.00 0.00 C ATOM 0 H TRP A 71 -8.401 -6.444 -5.871 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.165 -3.735 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.628 -6.345 -3.397 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.133 -4.851 -2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.240 -6.716 -3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.359 -5.673 -2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.108 -2.636 -1.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.005 -3.355 -1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.497 -1.029 -0.348 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.940 -1.383 -0.130 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.730 -3.075 -4.674 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.298 -2.689 -4.793 1.00 0.00 C ATOM 1071 C ARG A 72 -4.757 -2.337 -3.407 1.00 0.00 C ATOM 1072 O ARG A 72 -5.306 -1.509 -2.706 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.169 -1.481 -5.721 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.052 -1.961 -7.170 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.259 -1.469 -7.970 1.00 0.00 C ATOM 1076 NE ARG A 72 -5.796 -0.565 -9.060 1.00 0.00 N ATOM 1077 CZ ARG A 72 -6.601 -0.261 -10.041 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -7.345 -1.185 -10.585 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -6.663 0.967 -10.479 1.00 0.00 N ATOM 0 H ARG A 72 -7.366 -2.316 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.726 -3.519 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.036 -0.830 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.293 -0.892 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.130 -1.586 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.001 -3.049 -7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.800 -2.317 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.953 -0.941 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.850 -0.184 -9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.297 -2.145 -10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.974 -0.947 -11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.082 1.690 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.292 1.204 -11.246 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.691 -2.970 -3.001 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.124 -2.684 -1.654 1.00 0.00 C ATOM 1095 C GLU A 73 -1.977 -1.676 -1.767 1.00 0.00 C ATOM 1096 O GLU A 73 -1.234 -1.668 -2.730 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.591 -3.982 -1.045 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.606 -4.636 -2.016 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.556 -5.420 -1.229 1.00 0.00 C ATOM 1100 OE1 GLU A 73 0.136 -4.809 -0.431 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.459 -6.618 -1.438 1.00 0.00 O ATOM 0 H GLU A 73 -3.189 -3.672 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.907 -2.267 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.098 -3.775 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.416 -4.663 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.138 -5.302 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.123 -3.874 -2.628 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.822 -0.834 -0.782 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.718 0.165 -0.817 1.00 0.00 C ATOM 1110 C ALA A 74 -0.002 0.168 0.534 1.00 0.00 C ATOM 1111 O ALA A 74 -0.599 -0.069 1.565 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.289 1.556 -1.095 1.00 0.00 C ATOM 0 H ALA A 74 -2.414 -0.795 0.047 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.014 -0.097 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.478 2.284 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.803 1.553 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.993 1.824 -0.308 1.00 0.00 H new ATOM 1118 N ASP A 75 1.276 0.433 0.537 1.00 0.00 N ATOM 1119 CA ASP A 75 2.031 0.447 1.822 1.00 0.00 C ATOM 1120 C ASP A 75 1.609 1.662 2.652 1.00 0.00 C ATOM 1121 O ASP A 75 1.360 2.728 2.125 1.00 0.00 O ATOM 1122 CB ASP A 75 3.531 0.522 1.533 1.00 0.00 C ATOM 1123 CG ASP A 75 4.093 -0.893 1.385 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.422 -1.716 0.786 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.186 -1.129 1.874 1.00 0.00 O ATOM 0 H ASP A 75 1.830 0.640 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 75 1.814 -0.465 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.708 1.093 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.042 1.045 2.341 1.00 0.00 H new ATOM 1130 N ILE A 76 1.527 1.509 3.946 1.00 0.00 N ATOM 1131 CA ILE A 76 1.121 2.655 4.805 1.00 0.00 C ATOM 1132 C ILE A 76 2.037 2.728 6.028 1.00 0.00 C ATOM 1133 O ILE A 76 2.424 1.721 6.587 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.325 2.460 5.261 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.256 2.575 4.053 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.689 3.535 6.289 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.344 4.037 3.612 1.00 0.00 C ATOM 0 H ILE A 76 1.724 0.641 4.444 1.00 0.00 H new ATOM 0 HA ILE A 76 1.202 3.582 4.237 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.433 1.475 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.884 1.959 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.248 2.201 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.720 3.394 6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.024 3.456 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.582 4.521 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.008 4.118 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.736 4.641 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.351 4.395 3.340 1.00 0.00 H new ATOM 1149 N ASN A 77 2.385 3.913 6.450 1.00 0.00 N ATOM 1150 CA ASN A 77 3.273 4.055 7.637 1.00 0.00 C ATOM 1151 C ASN A 77 4.624 3.393 7.353 1.00 0.00 C ATOM 1152 O ASN A 77 5.246 2.829 8.231 1.00 0.00 O ATOM 1153 CB ASN A 77 2.618 3.382 8.846 1.00 0.00 C ATOM 1154 CG ASN A 77 1.416 4.213 9.304 1.00 0.00 C ATOM 1155 OD1 ASN A 77 0.372 4.187 8.683 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.521 4.954 10.374 1.00 0.00 N ATOM 0 H ASN A 77 2.091 4.791 6.022 1.00 0.00 H new ATOM 0 HA ASN A 77 3.428 5.113 7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.298 2.373 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.339 3.288 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.727 5.511 10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.397 4.976 10.895 1.00 0.00 H new ATOM 1163 N TYR A 78 5.084 3.455 6.132 1.00 0.00 N ATOM 1164 CA TYR A 78 6.389 2.832 5.794 1.00 0.00 C ATOM 1165 C TYR A 78 7.519 3.624 6.453 1.00 0.00 C ATOM 1166 O TYR A 78 7.465 4.834 6.555 1.00 0.00 O ATOM 1167 CB TYR A 78 6.582 2.836 4.276 1.00 0.00 C ATOM 1168 CG TYR A 78 7.877 2.138 3.929 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.078 2.858 3.904 1.00 0.00 C ATOM 1170 CD2 TYR A 78 7.875 0.770 3.629 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.277 2.210 3.580 1.00 0.00 C ATOM 1172 CE2 TYR A 78 9.075 0.123 3.305 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.275 0.842 3.281 1.00 0.00 C ATOM 1174 OH TYR A 78 11.456 0.204 2.962 1.00 0.00 O ATOM 0 H TYR A 78 4.608 3.912 5.354 1.00 0.00 H new ATOM 0 HA TYR A 78 6.404 1.805 6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 78 5.745 2.334 3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.598 3.860 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.080 3.913 4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.949 0.214 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.203 2.766 3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.074 -0.932 3.074 1.00 0.00 H new ATOM 0 HH TYR A 78 11.546 -0.608 3.504 1.00 0.00 H new ATOM 1184 N THR A 79 8.545 2.953 6.899 1.00 0.00 N ATOM 1185 CA THR A 79 9.678 3.669 7.547 1.00 0.00 C ATOM 1186 C THR A 79 10.992 3.162 6.967 1.00 0.00 C ATOM 1187 O THR A 79 11.591 3.778 6.107 1.00 0.00 O ATOM 1188 CB THR A 79 9.652 3.406 9.055 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.065 2.136 9.304 1.00 0.00 O ATOM 1190 CG2 THR A 79 8.830 4.494 9.749 1.00 0.00 C ATOM 0 H THR A 79 8.647 1.940 6.842 1.00 0.00 H new ATOM 0 HA THR A 79 9.586 4.740 7.364 1.00 0.00 H new ATOM 0 HB THR A 79 10.670 3.418 9.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.050 1.966 10.269 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.811 4.307 10.823 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.281 5.468 9.558 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.811 4.483 9.361 1.00 0.00 H new ATOM 1198 N SER A 80 11.439 2.042 7.435 1.00 0.00 N ATOM 1199 CA SER A 80 12.717 1.469 6.927 1.00 0.00 C ATOM 1200 C SER A 80 12.887 0.046 7.465 1.00 0.00 C ATOM 1201 O SER A 80 12.056 -0.456 8.196 1.00 0.00 O ATOM 1202 CB SER A 80 13.886 2.342 7.389 1.00 0.00 C ATOM 1203 OG SER A 80 14.903 1.522 7.951 1.00 0.00 O ATOM 0 H SER A 80 10.974 1.488 8.155 1.00 0.00 H new ATOM 0 HA SER A 80 12.698 1.441 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.285 2.908 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.542 3.068 8.126 1.00 0.00 H new ATOM 0 HG SER A 80 15.651 2.083 8.244 1.00 0.00 H new ATOM 1209 N GLY A 81 13.959 -0.607 7.108 1.00 0.00 N ATOM 1210 CA GLY A 81 14.184 -1.995 7.599 1.00 0.00 C ATOM 1211 C GLY A 81 13.132 -2.926 6.993 1.00 0.00 C ATOM 1212 O GLY A 81 12.662 -2.715 5.894 1.00 0.00 O ATOM 0 H GLY A 81 14.688 -0.239 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.184 -2.332 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.125 -2.021 8.687 1.00 0.00 H new ATOM 1216 N PHE A 82 12.760 -3.956 7.704 1.00 0.00 N ATOM 1217 CA PHE A 82 11.740 -4.900 7.168 1.00 0.00 C ATOM 1218 C PHE A 82 10.492 -4.121 6.748 1.00 0.00 C ATOM 1219 O PHE A 82 10.307 -2.978 7.118 1.00 0.00 O ATOM 1220 CB PHE A 82 11.367 -5.913 8.252 1.00 0.00 C ATOM 1221 CG PHE A 82 12.122 -7.199 8.018 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.520 -7.212 8.085 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.424 -8.379 7.734 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.220 -8.405 7.868 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.123 -9.572 7.517 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.522 -9.585 7.584 1.00 0.00 C ATOM 0 H PHE A 82 13.118 -4.184 8.631 1.00 0.00 H new ATOM 0 HA PHE A 82 12.148 -5.424 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.606 -5.512 9.237 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.293 -6.101 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.059 -6.302 8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.345 -8.369 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.299 -8.415 7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.584 -10.482 7.298 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.062 -10.505 7.417 1.00 0.00 H new ATOM 1236 N ARG A 83 9.632 -4.732 5.980 1.00 0.00 N ATOM 1237 CA ARG A 83 8.396 -4.029 5.538 1.00 0.00 C ATOM 1238 C ARG A 83 7.624 -3.536 6.763 1.00 0.00 C ATOM 1239 O ARG A 83 8.151 -3.477 7.857 1.00 0.00 O ATOM 1240 CB ARG A 83 7.521 -4.995 4.737 1.00 0.00 C ATOM 1241 CG ARG A 83 8.325 -5.561 3.565 1.00 0.00 C ATOM 1242 CD ARG A 83 8.381 -4.528 2.437 1.00 0.00 C ATOM 1243 NE ARG A 83 6.995 -4.179 2.010 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.067 -5.098 1.980 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.308 -6.249 1.414 1.00 0.00 N ATOM 1246 NH2 ARG A 83 4.900 -4.864 2.515 1.00 0.00 N ATOM 0 H ARG A 83 9.733 -5.688 5.640 1.00 0.00 H new ATOM 0 HA ARG A 83 8.665 -3.178 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.174 -5.805 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.635 -4.479 4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.334 -5.814 3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.866 -6.482 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.905 -3.634 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.943 -4.927 1.593 1.00 0.00 H new ATOM 0 HE ARG A 83 6.771 -3.221 1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.220 -6.430 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.584 -6.967 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.713 -3.964 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.175 -5.581 2.492 1.00 0.00 H new ATOM 1260 N ASN A 84 6.380 -3.183 6.592 1.00 0.00 N ATOM 1261 CA ASN A 84 5.580 -2.695 7.750 1.00 0.00 C ATOM 1262 C ASN A 84 4.341 -3.576 7.925 1.00 0.00 C ATOM 1263 O ASN A 84 4.187 -4.586 7.266 1.00 0.00 O ATOM 1264 CB ASN A 84 5.145 -1.249 7.500 1.00 0.00 C ATOM 1265 CG ASN A 84 4.889 -1.044 6.005 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.816 -0.912 5.230 1.00 0.00 O ATOM 1267 ND2 ASN A 84 3.661 -1.008 5.564 1.00 0.00 N ATOM 0 H ASN A 84 5.883 -3.211 5.702 1.00 0.00 H new ATOM 0 HA ASN A 84 6.189 -2.740 8.653 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.242 -1.026 8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.917 -0.561 7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.480 -0.869 4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.882 -1.119 6.214 1.00 0.00 H new ATOM 1274 N SER A 85 3.455 -3.200 8.807 1.00 0.00 N ATOM 1275 CA SER A 85 2.225 -4.014 9.022 1.00 0.00 C ATOM 1276 C SER A 85 0.989 -3.173 8.693 1.00 0.00 C ATOM 1277 O SER A 85 -0.130 -3.642 8.773 1.00 0.00 O ATOM 1278 CB SER A 85 2.161 -4.461 10.484 1.00 0.00 C ATOM 1279 OG SER A 85 3.448 -4.330 11.073 1.00 0.00 O ATOM 0 H SER A 85 3.530 -2.365 9.388 1.00 0.00 H new ATOM 0 HA SER A 85 2.251 -4.889 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.436 -3.857 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.824 -5.496 10.545 1.00 0.00 H new ATOM 0 HG SER A 85 3.409 -4.614 12.010 1.00 0.00 H new ATOM 1285 N ASP A 86 1.180 -1.936 8.321 1.00 0.00 N ATOM 1286 CA ASP A 86 0.013 -1.071 7.987 1.00 0.00 C ATOM 1287 C ASP A 86 -0.081 -0.903 6.469 1.00 0.00 C ATOM 1288 O ASP A 86 0.880 -0.554 5.810 1.00 0.00 O ATOM 1289 CB ASP A 86 0.188 0.301 8.641 1.00 0.00 C ATOM 1290 CG ASP A 86 0.202 0.143 10.163 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.085 -0.947 10.628 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.498 1.116 10.836 1.00 0.00 O ATOM 0 H ASP A 86 2.092 -1.488 8.234 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.900 -1.536 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.117 0.760 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.623 0.965 8.341 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.234 -1.145 5.912 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.396 -1.001 4.438 1.00 0.00 C ATOM 1299 C ARG A 87 -2.819 -0.532 4.128 1.00 0.00 C ATOM 1300 O ARG A 87 -3.770 -0.948 4.756 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.145 -2.350 3.761 1.00 0.00 C ATOM 1302 CG ARG A 87 0.335 -2.715 3.886 1.00 0.00 C ATOM 1303 CD ARG A 87 0.839 -3.273 2.552 1.00 0.00 C ATOM 1304 NE ARG A 87 1.630 -4.516 2.792 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.387 -4.619 3.850 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.984 -3.562 4.331 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.549 -5.778 4.427 1.00 0.00 N ATOM 0 H ARG A 87 -2.073 -1.437 6.414 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.680 -0.269 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.761 -3.121 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.431 -2.301 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.915 -1.836 4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.473 -3.453 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.004 -3.488 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.456 -2.530 2.046 1.00 0.00 H new ATOM 0 HE ARG A 87 1.579 -5.287 2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.859 -2.656 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.576 -3.642 5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.084 -6.604 4.051 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.141 -5.858 5.254 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.974 0.332 3.165 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.339 0.824 2.821 1.00 0.00 C ATOM 1323 C ILE A 88 -4.831 0.111 1.559 1.00 0.00 C ATOM 1324 O ILE A 88 -4.173 0.111 0.536 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.285 2.332 2.580 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.704 2.900 2.521 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.576 2.611 1.259 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.638 4.382 2.146 1.00 0.00 C ATOM 0 H ILE A 88 -2.217 0.719 2.601 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.026 0.615 3.641 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.740 2.805 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.297 2.353 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.198 2.778 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.537 3.687 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.562 2.213 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.121 2.133 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.647 4.792 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.059 4.922 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.160 4.490 1.172 1.00 0.00 H new ATOM 1340 N LEU A 89 -5.979 -0.508 1.628 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.515 -1.233 0.441 1.00 0.00 C ATOM 1342 C LEU A 89 -7.464 -0.323 -0.342 1.00 0.00 C ATOM 1343 O LEU A 89 -8.616 -0.174 0.009 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.292 -2.468 0.910 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.315 -3.580 1.285 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.386 -3.853 0.106 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.486 -3.148 2.496 1.00 0.00 C ATOM 0 H LEU A 89 -6.570 -0.543 2.458 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.684 -1.531 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.915 -2.214 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.961 -2.810 0.120 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.871 -4.485 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.687 -4.646 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.975 -4.161 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.831 -2.947 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.789 -3.943 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.929 -2.244 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.149 -2.949 3.338 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.006 0.271 -1.411 1.00 0.00 N ATOM 1360 CA TYR A 90 -7.918 1.145 -2.203 1.00 0.00 C ATOM 1361 C TYR A 90 -8.433 0.353 -3.407 1.00 0.00 C ATOM 1362 O TYR A 90 -7.709 -0.408 -4.016 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.184 2.401 -2.677 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.040 2.033 -3.591 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -6.293 1.656 -4.914 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -4.724 2.082 -3.116 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -5.230 1.329 -5.764 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -3.661 1.753 -3.964 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.913 1.377 -5.289 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.865 1.055 -6.126 1.00 0.00 O ATOM 0 H TYR A 90 -6.053 0.191 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.754 1.458 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.878 3.059 -3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.807 2.955 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.308 1.617 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.529 2.374 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.425 1.040 -6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.646 1.789 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.354 1.864 -6.337 1.00 0.00 H new ATOM 1380 N SER A 91 -9.685 0.507 -3.742 1.00 0.00 N ATOM 1381 CA SER A 91 -10.244 -0.264 -4.895 1.00 0.00 C ATOM 1382 C SER A 91 -10.490 0.659 -6.092 1.00 0.00 C ATOM 1383 O SER A 91 -10.419 1.868 -5.986 1.00 0.00 O ATOM 1384 CB SER A 91 -11.562 -0.915 -4.476 1.00 0.00 C ATOM 1385 OG SER A 91 -11.911 -1.916 -5.423 1.00 0.00 O ATOM 0 H SER A 91 -10.343 1.129 -3.272 1.00 0.00 H new ATOM 0 HA SER A 91 -9.526 -1.030 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.465 -1.355 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.350 -0.164 -4.416 1.00 0.00 H new ATOM 0 HG SER A 91 -11.199 -2.588 -5.467 1.00 0.00 H new ATOM 1391 N SER A 92 -10.778 0.090 -7.235 1.00 0.00 N ATOM 1392 CA SER A 92 -11.026 0.920 -8.449 1.00 0.00 C ATOM 1393 C SER A 92 -12.288 1.756 -8.250 1.00 0.00 C ATOM 1394 O SER A 92 -12.500 2.749 -8.916 1.00 0.00 O ATOM 1395 CB SER A 92 -11.198 0.012 -9.667 1.00 0.00 C ATOM 1396 OG SER A 92 -12.402 -0.731 -9.533 1.00 0.00 O ATOM 0 H SER A 92 -10.852 -0.917 -7.378 1.00 0.00 H new ATOM 0 HA SER A 92 -10.176 1.583 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.225 0.609 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.348 -0.664 -9.754 1.00 0.00 H new ATOM 0 HG SER A 92 -12.516 -1.313 -10.313 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.118 1.367 -7.330 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.358 2.137 -7.071 1.00 0.00 C ATOM 1404 C ASP A 93 -14.062 3.203 -6.017 1.00 0.00 C ATOM 1405 O ASP A 93 -14.955 3.765 -5.412 1.00 0.00 O ATOM 1406 CB ASP A 93 -15.462 1.198 -6.577 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.159 0.754 -5.145 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.057 1.004 -4.687 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.036 0.169 -4.530 1.00 0.00 O ATOM 0 H ASP A 93 -12.989 0.543 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.697 2.614 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.427 1.704 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.532 0.328 -7.230 1.00 0.00 H new ATOM 1414 N TRP A 94 -12.806 3.483 -5.801 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.412 4.509 -4.801 1.00 0.00 C ATOM 1416 C TRP A 94 -12.735 4.026 -3.390 1.00 0.00 C ATOM 1417 O TRP A 94 -12.987 4.810 -2.497 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.137 5.824 -5.091 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.223 6.702 -5.881 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.583 7.435 -6.958 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.799 6.937 -5.680 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.470 8.111 -7.429 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.346 7.836 -6.674 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.866 6.462 -4.739 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.013 8.248 -6.731 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.527 6.876 -4.797 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.100 7.765 -5.790 1.00 0.00 C ATOM 0 H TRP A 94 -12.026 3.036 -6.284 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.337 4.675 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.056 5.636 -5.646 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.422 6.313 -4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.575 7.485 -7.381 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.479 8.736 -8.235 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.183 5.775 -3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.690 8.936 -7.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.820 6.506 -4.069 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.067 8.077 -5.829 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.698 2.742 -3.173 1.00 0.00 N ATOM 1439 CA LEU A 95 -12.967 2.215 -1.809 1.00 0.00 C ATOM 1440 C LEU A 95 -11.649 2.211 -1.043 1.00 0.00 C ATOM 1441 O LEU A 95 -10.817 1.345 -1.233 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.505 0.784 -1.895 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.036 0.792 -1.886 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -15.548 -0.640 -1.734 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.544 1.635 -0.714 1.00 0.00 C ATOM 0 H LEU A 95 -12.493 2.036 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.708 2.837 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.142 0.306 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.132 0.197 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.399 1.218 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.638 -0.638 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.191 -1.244 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.180 -1.060 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.634 1.637 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.181 1.212 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.179 2.657 -0.816 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.437 3.179 -0.197 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.154 3.226 0.553 1.00 0.00 C ATOM 1459 C ILE A 96 -10.328 2.614 1.942 1.00 0.00 C ATOM 1460 O ILE A 96 -11.049 3.123 2.779 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.690 4.674 0.692 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.026 5.448 -0.586 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.179 4.691 0.916 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.601 6.909 -0.427 1.00 0.00 C ATOM 0 H ILE A 96 -12.092 3.934 0.006 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.407 2.653 0.003 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.195 5.142 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.515 5.001 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.095 5.390 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.838 5.721 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.940 4.139 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.680 4.225 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.841 7.459 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.132 7.353 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.527 6.958 -0.246 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.649 1.530 2.194 1.00 0.00 N ATOM 1477 CA TYR A 97 -9.736 0.877 3.527 1.00 0.00 C ATOM 1478 C TYR A 97 -8.340 0.877 4.150 1.00 0.00 C ATOM 1479 O TYR A 97 -7.354 1.058 3.466 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.231 -0.563 3.361 1.00 0.00 C ATOM 1481 CG TYR A 97 -11.739 -0.567 3.263 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.376 0.098 2.207 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.500 -1.233 4.231 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -13.774 0.097 2.123 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -13.897 -1.234 4.145 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.534 -0.568 3.091 1.00 0.00 C ATOM 1487 OH TYR A 97 -15.911 -0.564 3.008 1.00 0.00 O ATOM 0 H TYR A 97 -9.033 1.066 1.527 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.433 1.415 4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.796 -1.008 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.909 -1.170 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -11.790 0.611 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.009 -1.746 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.266 0.610 1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.484 -1.749 4.892 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.283 -1.138 3.710 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.237 0.691 5.434 1.00 0.00 N ATOM 1498 CA LYS A 98 -6.886 0.700 6.064 1.00 0.00 C ATOM 1499 C LYS A 98 -6.730 -0.512 6.989 1.00 0.00 C ATOM 1500 O LYS A 98 -7.659 -0.922 7.655 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.719 1.984 6.879 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.023 2.293 7.617 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.806 3.478 8.558 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.453 2.963 9.954 1.00 0.00 C ATOM 1505 NZ LYS A 98 -6.831 4.062 10.746 1.00 0.00 N ATOM 0 H LYS A 98 -9.019 0.535 6.070 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.126 0.654 5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.903 1.871 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.455 2.813 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.813 2.522 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.349 1.420 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.005 4.114 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.706 4.091 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.349 2.600 10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.766 2.120 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.591 3.713 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.967 4.388 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.501 4.853 10.828 1.00 0.00 H new ATOM 1519 N THR A 99 -5.554 -1.078 7.042 1.00 0.00 N ATOM 1520 CA THR A 99 -5.325 -2.253 7.931 1.00 0.00 C ATOM 1521 C THR A 99 -4.064 -2.008 8.763 1.00 0.00 C ATOM 1522 O THR A 99 -2.988 -1.821 8.230 1.00 0.00 O ATOM 1523 CB THR A 99 -5.138 -3.518 7.087 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.510 -4.519 7.875 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.265 -3.201 5.872 1.00 0.00 C ATOM 0 H THR A 99 -4.740 -0.776 6.506 1.00 0.00 H new ATOM 0 HA THR A 99 -6.186 -2.386 8.586 1.00 0.00 H new ATOM 0 HB THR A 99 -6.110 -3.876 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.984 -4.609 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.133 -4.102 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.747 -2.432 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.292 -2.843 6.207 1.00 0.00 H new ATOM 1533 N THR A 100 -4.183 -2.003 10.062 1.00 0.00 N ATOM 1534 CA THR A 100 -2.987 -1.760 10.917 1.00 0.00 C ATOM 1535 C THR A 100 -2.503 -3.080 11.521 1.00 0.00 C ATOM 1536 O THR A 100 -1.895 -3.105 12.572 1.00 0.00 O ATOM 1537 CB THR A 100 -3.353 -0.790 12.043 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.746 -0.515 11.994 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.567 0.511 11.875 1.00 0.00 C ATOM 0 H THR A 100 -5.055 -2.156 10.568 1.00 0.00 H new ATOM 0 HA THR A 100 -2.192 -1.331 10.307 1.00 0.00 H new ATOM 0 HB THR A 100 -3.104 -1.239 13.005 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.983 0.105 12.715 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.829 1.201 12.678 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.499 0.298 11.914 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.812 0.963 10.914 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.765 -4.179 10.868 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.313 -5.491 11.415 1.00 0.00 C ATOM 1549 C ASP A 101 -1.986 -6.448 10.266 1.00 0.00 C ATOM 1550 O ASP A 101 -1.977 -7.651 10.435 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.415 -6.099 12.292 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.781 -5.562 11.860 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.302 -6.052 10.874 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.280 -4.668 12.524 1.00 0.00 O ATOM 0 H ASP A 101 -3.270 -4.226 9.983 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.419 -5.334 12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.399 -7.186 12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.234 -5.856 13.339 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.712 -5.925 9.100 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.377 -6.808 7.945 1.00 0.00 C ATOM 1561 C HIS A 102 -2.656 -7.434 7.383 1.00 0.00 C ATOM 1562 O HIS A 102 -2.897 -8.616 7.528 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.427 -7.915 8.407 1.00 0.00 C ATOM 1564 CG HIS A 102 0.395 -8.390 7.240 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.055 -9.514 6.504 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.546 -7.904 6.671 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.984 -9.666 5.542 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.916 -8.711 5.599 1.00 0.00 N ATOM 0 H HIS A 102 -1.706 -4.925 8.898 1.00 0.00 H new ATOM 0 HA HIS A 102 -0.895 -6.215 7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.225 -7.543 9.197 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -0.995 -8.745 8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.083 -7.028 7.005 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.977 -10.463 4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.725 -8.597 4.988 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.474 -6.650 6.738 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.736 -7.193 6.158 1.00 0.00 C ATOM 1578 C TYR A 103 -5.499 -7.993 7.218 1.00 0.00 C ATOM 1579 O TYR A 103 -6.344 -8.806 6.901 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.403 -8.104 4.977 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.348 -7.452 4.116 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.588 -6.195 3.548 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.132 -8.105 3.882 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.612 -5.591 2.747 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.156 -7.501 3.081 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.396 -6.244 2.513 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.434 -5.648 1.724 1.00 0.00 O ATOM 0 H TYR A 103 -3.323 -5.653 6.587 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.358 -6.364 5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.047 -9.069 5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.300 -8.295 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.526 -5.691 3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.947 -9.075 4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.797 -4.621 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.218 -8.005 2.901 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.860 -5.007 1.117 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.220 -7.766 8.472 1.00 0.00 N ATOM 1598 CA GLN A 104 -5.945 -8.512 9.540 1.00 0.00 C ATOM 1599 C GLN A 104 -7.231 -7.765 9.877 1.00 0.00 C ATOM 1600 O GLN A 104 -8.169 -8.317 10.419 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.065 -8.609 10.786 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.588 -10.052 10.967 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.528 -10.387 12.459 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -5.181 -9.753 13.262 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -3.765 -11.365 12.865 1.00 0.00 N ATOM 0 H GLN A 104 -4.524 -7.098 8.803 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.182 -9.518 9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.209 -7.941 10.691 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.624 -8.287 11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.265 -10.737 10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.605 -10.180 10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.216 -11.898 12.190 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.717 -11.597 13.857 1.00 0.00 H new ATOM 1614 N THR A 105 -7.274 -6.511 9.549 1.00 0.00 N ATOM 1615 CA THR A 105 -8.488 -5.692 9.825 1.00 0.00 C ATOM 1616 C THR A 105 -8.668 -4.688 8.689 1.00 0.00 C ATOM 1617 O THR A 105 -7.732 -4.359 7.989 1.00 0.00 O ATOM 1618 CB THR A 105 -8.312 -4.942 11.147 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.084 -4.228 11.123 1.00 0.00 O ATOM 1620 CG2 THR A 105 -8.304 -5.939 12.306 1.00 0.00 C ATOM 0 H THR A 105 -6.512 -6.008 9.095 1.00 0.00 H new ATOM 0 HA THR A 105 -9.364 -6.337 9.895 1.00 0.00 H new ATOM 0 HB THR A 105 -9.137 -4.242 11.281 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.699 -4.210 12.024 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.179 -5.403 13.247 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.247 -6.485 12.323 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.481 -6.641 12.176 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.860 -4.200 8.489 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.075 -3.226 7.386 1.00 0.00 C ATOM 1630 C PHE A 106 -11.054 -2.138 7.831 1.00 0.00 C ATOM 1631 O PHE A 106 -12.191 -2.407 8.162 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.640 -3.957 6.168 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.574 -4.851 5.582 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.512 -4.292 4.861 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.646 -6.238 5.760 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.522 -5.120 4.317 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.656 -7.066 5.216 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.594 -6.507 4.495 1.00 0.00 C ATOM 0 H PHE A 106 -10.688 -4.432 9.037 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.123 -2.762 7.127 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.509 -4.549 6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.977 -3.237 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.456 -3.222 4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.465 -6.669 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.703 -4.689 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.712 -8.136 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.830 -7.146 4.076 1.00 0.00 H new ATOM 1648 N THR A 107 -10.618 -0.908 7.832 1.00 0.00 N ATOM 1649 CA THR A 107 -11.515 0.205 8.245 1.00 0.00 C ATOM 1650 C THR A 107 -11.802 1.089 7.029 1.00 0.00 C ATOM 1651 O THR A 107 -10.916 1.404 6.258 1.00 0.00 O ATOM 1652 CB THR A 107 -10.832 1.038 9.333 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.155 0.173 10.233 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.882 1.851 10.093 1.00 0.00 C ATOM 0 H THR A 107 -9.675 -0.626 7.563 1.00 0.00 H new ATOM 0 HA THR A 107 -12.448 -0.200 8.637 1.00 0.00 H new ATOM 0 HB THR A 107 -10.115 1.718 8.874 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.716 0.704 10.929 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.394 2.443 10.867 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.399 2.515 9.400 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.602 1.175 10.554 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.031 1.488 6.849 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.371 2.346 5.678 1.00 0.00 C ATOM 1664 C LYS A 108 -13.068 3.809 6.009 1.00 0.00 C ATOM 1665 O LYS A 108 -13.487 4.325 7.025 1.00 0.00 O ATOM 1666 CB LYS A 108 -14.859 2.194 5.351 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.180 2.961 4.067 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.305 3.962 4.337 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.641 3.357 3.903 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.718 4.378 4.046 1.00 0.00 N ATOM 0 H LYS A 108 -13.814 1.258 7.461 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.776 2.039 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.110 1.140 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.464 2.573 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.292 3.483 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.478 2.267 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.335 4.214 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.120 4.889 3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.581 3.019 2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.871 2.482 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.627 3.967 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.780 4.680 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.499 5.200 3.448 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.342 4.480 5.157 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.014 5.909 5.423 1.00 0.00 C ATOM 1686 C ILE A 109 -12.334 6.744 4.182 1.00 0.00 C ATOM 1687 O ILE A 109 -11.840 7.840 4.014 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.525 6.040 5.756 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.730 4.993 4.972 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.317 5.818 7.255 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.296 4.940 5.502 1.00 0.00 C ATOM 0 H ILE A 109 -11.962 4.101 4.289 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.606 6.266 6.265 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.180 7.037 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.201 4.015 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.728 5.242 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.257 5.911 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.882 6.564 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.664 4.821 7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.729 4.195 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.827 5.917 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.308 4.671 6.558 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.160 6.232 3.310 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.516 6.995 2.081 1.00 0.00 C ATOM 1705 C ARG A 110 -14.141 6.045 1.057 1.00 0.00 C ATOM 1706 O ARG A 110 -14.528 4.957 1.448 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.253 7.624 1.487 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.273 9.134 1.731 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.839 9.647 1.882 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.613 10.087 3.287 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.398 10.277 3.723 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.525 10.898 2.978 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.055 9.845 4.906 1.00 0.00 N ATOM 1714 OXT ARG A 110 -14.222 6.424 -0.100 1.00 0.00 O ATOM 0 H ARG A 110 -13.604 5.318 3.396 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.229 7.780 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.366 7.183 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.199 7.418 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.766 9.640 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.848 9.360 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.131 8.862 1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.665 10.477 1.197 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.408 10.240 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.792 11.236 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.576 11.046 3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.737 9.359 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.105 9.993 5.247 1.00 0.00 H new TER 1728 ARG A 110