USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 HIS : no HD1:sc= 0.538 K(o=-5.1,f=-9.1) USER MOD Set 1.2: A 120 HIS : no HE2:sc= -5.63! C(o=-5.1!,f=-12!) USER MOD Set 2.1: A 100 TYR OH : rot 165:sc= -0.14 USER MOD Set 2.2: A 104 ASN : amide:sc= -2.1 K(o=-2.2,f=-9.3!) USER MOD Set 3.1: A 97 MET CE :methyl 169:sc= -0.0519 (180deg=-0.148) USER MOD Set 3.2: A 109 SER OG : rot -80:sc= -0.242! USER MOD Set 4.1: A 8 LYS NZ :NH3+ 164:sc= -0.0458 (180deg=-0.391) USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 32 LYS NZ :NH3+ 143:sc= 0.616 (180deg=-0.675) USER MOD Set 5.2: A 81 THR OG1 : rot 135:sc= 0.935 USER MOD Set 6.1: A 23 SER OG : rot 90:sc= -0.566 USER MOD Set 6.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= -0.507 (180deg=-0.754) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -140:sc= -1.51 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc=-0.00115 (180deg=-0.262) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.089) USER MOD Single : A 25 ASN : amide:sc= -1.15 K(o=-1.2,f=-8.8!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 28 SER OG : rot 12:sc= 0.96 USER MOD Single : A 34 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00808 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.93 (180deg=-1.05) USER MOD Single : A 45 SER OG : rot 180:sc= 0.35 USER MOD Single : A 46 THR OG1 : rot -147:sc= 0.0781 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 52 MET CE :methyl 141:sc= -0.165 (180deg=-3.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0243 (180deg=-0.353) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.36 F(o=-2.2,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 34:sc= 0.17 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.742 F(o=-3.4!,f=-0.74) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 94 MET CE :methyl -152:sc= -0.184 (180deg=-1.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 95:sc= 0.0786 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.00057) USER MOD Single : A 118 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.847 2.836 7.674 1.00 0.00 N ATOM 2 CA MET A 1 12.059 3.617 8.665 1.00 0.00 C ATOM 3 C MET A 1 10.571 3.339 8.441 1.00 0.00 C ATOM 4 O MET A 1 9.736 4.214 8.559 1.00 0.00 O ATOM 5 CB MET A 1 12.356 5.108 8.494 1.00 0.00 C ATOM 6 CG MET A 1 13.815 5.384 8.873 1.00 0.00 C ATOM 7 SD MET A 1 14.184 7.137 8.624 1.00 0.00 S ATOM 8 CE MET A 1 13.640 7.726 10.246 1.00 0.00 C ATOM 0 H1 MET A 1 13.449 2.149 8.172 1.00 0.00 H new ATOM 0 H2 MET A 1 12.199 2.330 7.036 1.00 0.00 H new ATOM 0 H3 MET A 1 13.445 3.482 7.119 1.00 0.00 H new ATOM 0 HA MET A 1 12.332 3.323 9.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.173 5.410 7.463 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.688 5.697 9.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.989 5.109 9.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.481 4.772 8.266 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.783 8.805 10.308 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.584 7.491 10.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.225 7.237 11.025 1.00 0.00 H new ATOM 20 N ALA A 2 10.248 2.113 8.122 1.00 0.00 N ATOM 21 CA ALA A 2 8.830 1.723 7.884 1.00 0.00 C ATOM 22 C ALA A 2 8.146 2.764 7.008 1.00 0.00 C ATOM 23 O ALA A 2 7.555 3.708 7.488 1.00 0.00 O ATOM 24 CB ALA A 2 8.103 1.595 9.221 1.00 0.00 C ATOM 0 H ALA A 2 10.920 1.354 8.015 1.00 0.00 H new ATOM 0 HA ALA A 2 8.800 0.762 7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.066 1.310 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.591 0.833 9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.133 2.551 9.744 1.00 0.00 H new ATOM 30 N GLU A 3 8.228 2.589 5.715 1.00 0.00 N ATOM 31 CA GLU A 3 7.588 3.554 4.774 1.00 0.00 C ATOM 32 C GLU A 3 7.096 2.831 3.525 1.00 0.00 C ATOM 33 O GLU A 3 7.524 1.741 3.204 1.00 0.00 O ATOM 34 CB GLU A 3 8.598 4.630 4.370 1.00 0.00 C ATOM 35 CG GLU A 3 9.817 3.983 3.699 1.00 0.00 C ATOM 36 CD GLU A 3 10.834 5.064 3.326 1.00 0.00 C ATOM 37 OE1 GLU A 3 10.412 6.166 3.015 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.016 4.769 3.351 1.00 0.00 O ATOM 0 H GLU A 3 8.715 1.812 5.268 1.00 0.00 H new ATOM 0 HA GLU A 3 6.738 4.017 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.131 5.340 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.913 5.193 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.273 3.258 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.507 3.438 2.807 1.00 0.00 H new ATOM 45 N ILE A 4 6.186 3.452 2.823 1.00 0.00 N ATOM 46 CA ILE A 4 5.622 2.846 1.580 1.00 0.00 C ATOM 47 C ILE A 4 6.135 3.610 0.365 1.00 0.00 C ATOM 48 O ILE A 4 6.042 4.819 0.285 1.00 0.00 O ATOM 49 CB ILE A 4 4.092 2.918 1.626 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.584 2.119 2.832 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.519 2.324 0.338 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.087 2.375 3.028 1.00 0.00 C ATOM 0 H ILE A 4 5.804 4.367 3.061 1.00 0.00 H new ATOM 0 HA ILE A 4 5.933 1.804 1.509 1.00 0.00 H new ATOM 0 HB ILE A 4 3.774 3.957 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.763 1.055 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.132 2.408 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.431 2.374 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.885 2.890 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.832 1.284 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.730 1.805 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.919 3.438 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.545 2.064 2.135 1.00 0.00 H new ATOM 64 N GLN A 5 6.673 2.895 -0.587 1.00 0.00 N ATOM 65 CA GLN A 5 7.194 3.547 -1.821 1.00 0.00 C ATOM 66 C GLN A 5 7.036 2.605 -3.013 1.00 0.00 C ATOM 67 O GLN A 5 7.075 1.397 -2.887 1.00 0.00 O ATOM 68 CB GLN A 5 8.674 3.910 -1.637 1.00 0.00 C ATOM 69 CG GLN A 5 9.455 2.718 -1.071 1.00 0.00 C ATOM 70 CD GLN A 5 10.934 3.093 -0.919 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.557 3.553 -1.855 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.524 2.914 0.234 1.00 0.00 N ATOM 0 H GLN A 5 6.774 1.880 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 5 6.625 4.458 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.102 4.211 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.764 4.763 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.043 2.427 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.354 1.858 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.001 2.528 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.507 3.161 0.347 1.00 0.00 H new ATOM 81 N PHE A 6 6.854 3.174 -4.173 1.00 0.00 N ATOM 82 CA PHE A 6 6.685 2.364 -5.414 1.00 0.00 C ATOM 83 C PHE A 6 8.034 2.261 -6.121 1.00 0.00 C ATOM 84 O PHE A 6 8.606 1.199 -6.239 1.00 0.00 O ATOM 85 CB PHE A 6 5.685 3.066 -6.343 1.00 0.00 C ATOM 86 CG PHE A 6 4.307 3.003 -5.734 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.546 1.834 -5.847 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.785 4.115 -5.059 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.267 1.773 -5.283 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.505 4.053 -4.495 1.00 0.00 C ATOM 91 CZ PHE A 6 1.745 2.882 -4.609 1.00 0.00 C ATOM 0 H PHE A 6 6.815 4.183 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 6 6.317 1.370 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.980 4.104 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.684 2.588 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.946 0.978 -6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.370 5.019 -4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.682 0.869 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.104 4.908 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.756 2.835 -4.177 1.00 0.00 H new ATOM 101 N SER A 7 8.536 3.371 -6.596 1.00 0.00 N ATOM 102 CA SER A 7 9.844 3.370 -7.307 1.00 0.00 C ATOM 103 C SER A 7 10.984 3.230 -6.296 1.00 0.00 C ATOM 104 O SER A 7 10.805 3.401 -5.110 1.00 0.00 O ATOM 105 CB SER A 7 10.004 4.681 -8.087 1.00 0.00 C ATOM 106 OG SER A 7 9.196 4.630 -9.256 1.00 0.00 O ATOM 0 H SER A 7 8.090 4.285 -6.520 1.00 0.00 H new ATOM 0 HA SER A 7 9.876 2.529 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.711 5.527 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.049 4.832 -8.359 1.00 0.00 H new ATOM 0 HG SER A 7 9.293 5.466 -9.758 1.00 0.00 H new ATOM 112 N LYS A 8 12.152 2.907 -6.785 1.00 0.00 N ATOM 113 CA LYS A 8 13.334 2.728 -5.896 1.00 0.00 C ATOM 114 C LYS A 8 13.948 4.089 -5.577 1.00 0.00 C ATOM 115 O LYS A 8 15.132 4.210 -5.338 1.00 0.00 O ATOM 116 CB LYS A 8 14.367 1.842 -6.603 1.00 0.00 C ATOM 117 CG LYS A 8 13.825 0.414 -6.709 1.00 0.00 C ATOM 118 CD LYS A 8 14.850 -0.477 -7.416 1.00 0.00 C ATOM 119 CE LYS A 8 14.353 -1.924 -7.421 1.00 0.00 C ATOM 120 NZ LYS A 8 13.076 -2.010 -8.186 1.00 0.00 N ATOM 0 H LYS A 8 12.338 2.758 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 8 13.024 2.252 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.581 2.236 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.306 1.846 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.612 0.021 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.885 0.412 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.004 -0.131 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.813 -0.414 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.103 -2.575 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.201 -2.271 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.879 -3.003 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.299 -1.631 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.158 -1.455 -9.062 1.00 0.00 H new ATOM 134 N GLY A 9 13.142 5.109 -5.566 1.00 0.00 N ATOM 135 CA GLY A 9 13.652 6.475 -5.257 1.00 0.00 C ATOM 136 C GLY A 9 12.491 7.359 -4.812 1.00 0.00 C ATOM 137 O GLY A 9 12.609 8.093 -3.856 1.00 0.00 O ATOM 0 H GLY A 9 12.142 5.057 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.407 6.425 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.134 6.903 -6.136 1.00 0.00 H new ATOM 141 N VAL A 10 11.380 7.286 -5.511 1.00 0.00 N ATOM 142 CA VAL A 10 10.179 8.114 -5.173 1.00 0.00 C ATOM 143 C VAL A 10 10.601 9.454 -4.566 1.00 0.00 C ATOM 144 O VAL A 10 11.526 10.090 -5.028 1.00 0.00 O ATOM 145 CB VAL A 10 9.297 7.351 -4.178 1.00 0.00 C ATOM 146 CG1 VAL A 10 8.722 6.104 -4.843 1.00 0.00 C ATOM 147 CG2 VAL A 10 10.126 6.941 -2.955 1.00 0.00 C ATOM 0 H VAL A 10 11.255 6.674 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 10 9.619 8.309 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 10 8.480 8.000 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.096 5.567 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.122 6.395 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.536 5.458 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.494 6.399 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.949 6.300 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.526 7.832 -2.471 1.00 0.00 H new ATOM 157 N ALA A 11 9.943 9.858 -3.516 1.00 0.00 N ATOM 158 CA ALA A 11 10.290 11.129 -2.842 1.00 0.00 C ATOM 159 C ALA A 11 9.718 11.130 -1.422 1.00 0.00 C ATOM 160 O ALA A 11 9.764 10.141 -0.716 1.00 0.00 O ATOM 161 CB ALA A 11 9.698 12.295 -3.626 1.00 0.00 C ATOM 0 H ALA A 11 9.167 9.349 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 11 11.374 11.231 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.952 13.232 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.104 12.297 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.614 12.191 -3.670 1.00 0.00 H new ATOM 167 N GLU A 12 9.195 12.249 -0.999 1.00 0.00 N ATOM 168 CA GLU A 12 8.634 12.358 0.378 1.00 0.00 C ATOM 169 C GLU A 12 7.455 11.401 0.552 1.00 0.00 C ATOM 170 O GLU A 12 6.686 11.167 -0.357 1.00 0.00 O ATOM 171 CB GLU A 12 8.182 13.803 0.638 1.00 0.00 C ATOM 172 CG GLU A 12 7.674 13.921 2.081 1.00 0.00 C ATOM 173 CD GLU A 12 7.280 15.368 2.394 1.00 0.00 C ATOM 174 OE1 GLU A 12 7.211 16.160 1.470 1.00 0.00 O ATOM 175 OE2 GLU A 12 7.050 15.654 3.558 1.00 0.00 O ATOM 0 H GLU A 12 9.132 13.102 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 12 9.407 12.087 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.011 14.491 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.394 14.082 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.816 13.265 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.448 13.591 2.774 1.00 0.00 H new ATOM 182 N THR A 13 7.334 10.845 1.728 1.00 0.00 N ATOM 183 CA THR A 13 6.232 9.883 2.015 1.00 0.00 C ATOM 184 C THR A 13 4.885 10.601 2.034 1.00 0.00 C ATOM 185 O THR A 13 4.754 11.701 2.532 1.00 0.00 O ATOM 186 CB THR A 13 6.487 9.213 3.371 1.00 0.00 C ATOM 187 OG1 THR A 13 6.475 10.192 4.403 1.00 0.00 O ATOM 188 CG2 THR A 13 7.846 8.512 3.347 1.00 0.00 C ATOM 0 H THR A 13 7.962 11.020 2.513 1.00 0.00 H new ATOM 0 HA THR A 13 6.206 9.127 1.231 1.00 0.00 H new ATOM 0 HB THR A 13 5.703 8.481 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.637 9.759 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.027 8.036 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.852 7.756 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.630 9.244 3.151 1.00 0.00 H new ATOM 196 N VAL A 14 3.889 9.971 1.467 1.00 0.00 N ATOM 197 CA VAL A 14 2.528 10.576 1.404 1.00 0.00 C ATOM 198 C VAL A 14 1.726 10.245 2.667 1.00 0.00 C ATOM 199 O VAL A 14 2.261 10.161 3.751 1.00 0.00 O ATOM 200 CB VAL A 14 1.781 10.032 0.168 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.742 11.061 -0.301 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.782 9.764 -0.961 1.00 0.00 C ATOM 0 H VAL A 14 3.964 9.048 1.039 1.00 0.00 H new ATOM 0 HA VAL A 14 2.633 11.658 1.331 1.00 0.00 H new ATOM 0 HB VAL A 14 1.276 9.103 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.216 10.675 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.027 11.248 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.245 11.992 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.253 9.380 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.290 10.692 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.516 9.030 -0.630 1.00 0.00 H new ATOM 212 N VAL A 15 0.435 10.060 2.520 1.00 0.00 N ATOM 213 CA VAL A 15 -0.434 9.745 3.695 1.00 0.00 C ATOM 214 C VAL A 15 -1.567 8.810 3.250 1.00 0.00 C ATOM 215 O VAL A 15 -2.728 9.181 3.250 1.00 0.00 O ATOM 216 CB VAL A 15 -1.018 11.045 4.257 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.706 10.750 5.590 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.117 12.050 4.482 1.00 0.00 C ATOM 0 H VAL A 15 -0.056 10.115 1.628 1.00 0.00 H new ATOM 0 HA VAL A 15 0.154 9.253 4.470 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.741 11.460 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.124 11.671 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.506 10.026 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.979 10.342 6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.292 12.978 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.835 11.635 5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.617 12.253 3.535 1.00 0.00 H new ATOM 228 N PRO A 16 -1.226 7.606 2.864 1.00 0.00 N ATOM 229 CA PRO A 16 -2.214 6.591 2.403 1.00 0.00 C ATOM 230 C PRO A 16 -2.993 5.966 3.555 1.00 0.00 C ATOM 231 O PRO A 16 -2.500 5.838 4.657 1.00 0.00 O ATOM 232 CB PRO A 16 -1.353 5.543 1.687 1.00 0.00 C ATOM 233 CG PRO A 16 -0.014 5.624 2.350 1.00 0.00 C ATOM 234 CD PRO A 16 0.149 7.073 2.838 1.00 0.00 C ATOM 0 HA PRO A 16 -2.978 7.032 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.782 4.546 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.279 5.755 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.048 4.925 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.780 5.359 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.609 7.111 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.786 7.649 2.167 1.00 0.00 H new ATOM 242 N GLU A 17 -4.209 5.574 3.295 1.00 0.00 N ATOM 243 CA GLU A 17 -5.052 4.948 4.357 1.00 0.00 C ATOM 244 C GLU A 17 -4.992 3.431 4.240 1.00 0.00 C ATOM 245 O GLU A 17 -4.884 2.874 3.166 1.00 0.00 O ATOM 246 CB GLU A 17 -6.497 5.422 4.209 1.00 0.00 C ATOM 247 CG GLU A 17 -6.575 6.907 4.567 1.00 0.00 C ATOM 248 CD GLU A 17 -8.001 7.413 4.356 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.837 6.623 3.949 1.00 0.00 O ATOM 250 OE2 GLU A 17 -8.235 8.585 4.605 1.00 0.00 O ATOM 0 H GLU A 17 -4.661 5.661 2.385 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.674 5.243 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.842 5.263 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.151 4.843 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.275 7.057 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.881 7.477 3.949 1.00 0.00 H new ATOM 257 N VAL A 18 -5.047 2.765 5.362 1.00 0.00 N ATOM 258 CA VAL A 18 -4.980 1.275 5.378 1.00 0.00 C ATOM 259 C VAL A 18 -6.364 0.683 5.616 1.00 0.00 C ATOM 260 O VAL A 18 -7.085 1.078 6.511 1.00 0.00 O ATOM 261 CB VAL A 18 -4.036 0.820 6.496 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.849 -0.695 6.407 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.681 1.513 6.335 1.00 0.00 C ATOM 0 H VAL A 18 -5.137 3.197 6.282 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.608 0.929 4.413 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.461 1.082 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.178 -1.026 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.815 -1.188 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.421 -0.952 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.010 1.189 7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.251 1.251 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.816 2.593 6.391 1.00 0.00 H new ATOM 273 N ARG A 19 -6.727 -0.272 4.807 1.00 0.00 N ATOM 274 CA ARG A 19 -8.056 -0.938 4.943 1.00 0.00 C ATOM 275 C ARG A 19 -7.879 -2.447 4.816 1.00 0.00 C ATOM 276 O ARG A 19 -7.088 -2.931 4.029 1.00 0.00 O ATOM 277 CB ARG A 19 -9.000 -0.434 3.850 1.00 0.00 C ATOM 278 CG ARG A 19 -10.388 -1.053 4.055 1.00 0.00 C ATOM 279 CD ARG A 19 -11.339 -0.541 2.967 1.00 0.00 C ATOM 280 NE ARG A 19 -12.729 -0.993 3.267 1.00 0.00 N ATOM 281 CZ ARG A 19 -13.662 -0.940 2.346 1.00 0.00 C ATOM 282 NH1 ARG A 19 -13.393 -0.491 1.145 1.00 0.00 N ATOM 283 NH2 ARG A 19 -14.873 -1.339 2.631 1.00 0.00 N ATOM 0 H ARG A 19 -6.150 -0.626 4.044 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.483 -0.703 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.066 0.654 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.612 -0.700 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.323 -2.140 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.772 -0.793 5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.302 0.547 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.027 -0.914 1.991 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.956 -1.346 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.449 -0.178 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.127 -0.455 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.088 -1.689 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.603 -1.301 1.920 1.00 0.00 H new ATOM 297 N LEU A 20 -8.612 -3.191 5.600 1.00 0.00 N ATOM 298 CA LEU A 20 -8.508 -4.682 5.560 1.00 0.00 C ATOM 299 C LEU A 20 -9.704 -5.270 4.823 1.00 0.00 C ATOM 300 O LEU A 20 -10.847 -5.012 5.146 1.00 0.00 O ATOM 301 CB LEU A 20 -8.473 -5.230 6.991 1.00 0.00 C ATOM 302 CG LEU A 20 -7.290 -4.617 7.751 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.277 -5.146 9.187 1.00 0.00 C ATOM 304 CD2 LEU A 20 -5.973 -4.991 7.055 1.00 0.00 C ATOM 0 H LEU A 20 -9.286 -2.827 6.274 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.594 -4.961 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.407 -4.997 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.382 -6.316 6.973 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.394 -3.532 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.436 -4.711 9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.208 -4.873 9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.177 -6.231 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.137 -4.553 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.866 -6.076 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.980 -4.610 6.034 1.00 0.00 H new ATOM 316 N SER A 21 -9.428 -6.063 3.824 1.00 0.00 N ATOM 317 CA SER A 21 -10.511 -6.700 3.024 1.00 0.00 C ATOM 318 C SER A 21 -10.802 -8.094 3.563 1.00 0.00 C ATOM 319 O SER A 21 -10.030 -8.663 4.307 1.00 0.00 O ATOM 320 CB SER A 21 -10.075 -6.807 1.562 1.00 0.00 C ATOM 321 OG SER A 21 -10.156 -5.527 0.957 1.00 0.00 O ATOM 0 H SER A 21 -8.482 -6.300 3.524 1.00 0.00 H new ATOM 0 HA SER A 21 -11.411 -6.089 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.055 -7.188 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.712 -7.515 1.031 1.00 0.00 H new ATOM 0 HG SER A 21 -10.507 -5.617 0.046 1.00 0.00 H new ATOM 327 N LYS A 22 -11.921 -8.641 3.180 1.00 0.00 N ATOM 328 CA LYS A 22 -12.306 -10.004 3.648 1.00 0.00 C ATOM 329 C LYS A 22 -12.183 -11.000 2.498 1.00 0.00 C ATOM 330 O LYS A 22 -12.542 -10.723 1.370 1.00 0.00 O ATOM 331 CB LYS A 22 -13.760 -9.975 4.142 1.00 0.00 C ATOM 332 CG LYS A 22 -14.725 -9.642 2.974 1.00 0.00 C ATOM 333 CD LYS A 22 -15.419 -10.923 2.495 1.00 0.00 C ATOM 334 CE LYS A 22 -16.251 -10.624 1.250 1.00 0.00 C ATOM 335 NZ LYS A 22 -17.357 -9.690 1.602 1.00 0.00 N ATOM 0 H LYS A 22 -12.594 -8.197 2.555 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.645 -10.309 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.023 -10.941 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.867 -9.232 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.468 -8.914 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.173 -9.187 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.676 -11.689 2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.058 -11.319 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.622 -10.184 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.658 -11.549 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.054 -9.671 0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.818 -10.011 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.972 -8.734 1.744 1.00 0.00 H new ATOM 349 N SER A 23 -11.683 -12.163 2.795 1.00 0.00 N ATOM 350 CA SER A 23 -11.528 -13.214 1.755 1.00 0.00 C ATOM 351 C SER A 23 -11.425 -14.580 2.443 1.00 0.00 C ATOM 352 O SER A 23 -10.853 -15.513 1.914 1.00 0.00 O ATOM 353 CB SER A 23 -10.270 -12.931 0.928 1.00 0.00 C ATOM 354 OG SER A 23 -10.467 -13.427 -0.389 1.00 0.00 O ATOM 0 H SER A 23 -11.371 -12.434 3.727 1.00 0.00 H new ATOM 0 HA SER A 23 -12.389 -13.215 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.068 -11.860 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.403 -13.407 1.385 1.00 0.00 H new ATOM 0 HG SER A 23 -10.865 -12.726 -0.946 1.00 0.00 H new ATOM 360 N LYS A 24 -11.973 -14.693 3.626 1.00 0.00 N ATOM 361 CA LYS A 24 -11.914 -15.984 4.362 1.00 0.00 C ATOM 362 C LYS A 24 -12.658 -17.056 3.567 1.00 0.00 C ATOM 363 O LYS A 24 -12.185 -18.163 3.410 1.00 0.00 O ATOM 364 CB LYS A 24 -12.580 -15.823 5.738 1.00 0.00 C ATOM 365 CG LYS A 24 -12.467 -17.134 6.533 1.00 0.00 C ATOM 366 CD LYS A 24 -10.990 -17.417 6.847 1.00 0.00 C ATOM 367 CE LYS A 24 -10.888 -18.421 7.986 1.00 0.00 C ATOM 368 NZ LYS A 24 -11.430 -19.733 7.538 1.00 0.00 N ATOM 0 H LYS A 24 -12.460 -13.941 4.113 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.873 -16.278 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.104 -15.012 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.629 -15.552 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.039 -17.061 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.892 -17.958 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.489 -17.806 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.483 -16.491 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.849 -18.531 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.443 -18.062 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.254 -20.450 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.454 -19.648 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.962 -20.019 6.655 1.00 0.00 H new ATOM 382 N ASN A 25 -13.826 -16.734 3.079 1.00 0.00 N ATOM 383 CA ASN A 25 -14.623 -17.727 2.297 1.00 0.00 C ATOM 384 C ASN A 25 -14.253 -17.614 0.819 1.00 0.00 C ATOM 385 O ASN A 25 -14.758 -18.336 -0.014 1.00 0.00 O ATOM 386 CB ASN A 25 -16.123 -17.440 2.473 1.00 0.00 C ATOM 387 CG ASN A 25 -16.472 -16.040 1.953 1.00 0.00 C ATOM 388 OD1 ASN A 25 -15.660 -15.386 1.330 1.00 0.00 O ATOM 389 ND2 ASN A 25 -17.664 -15.553 2.185 1.00 0.00 N ATOM 0 H ASN A 25 -14.266 -15.820 3.189 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.405 -18.733 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.707 -18.188 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.392 -17.520 3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.911 -14.624 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.346 -16.102 2.708 1.00 0.00 H new ATOM 396 N GLY A 26 -13.379 -16.699 0.498 1.00 0.00 N ATOM 397 CA GLY A 26 -12.956 -16.505 -0.921 1.00 0.00 C ATOM 398 C GLY A 26 -11.694 -17.319 -1.193 1.00 0.00 C ATOM 399 O GLY A 26 -11.698 -18.253 -1.969 1.00 0.00 O ATOM 0 H GLY A 26 -12.934 -16.069 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.754 -16.816 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.769 -15.449 -1.114 1.00 0.00 H new ATOM 403 N GLN A 27 -10.610 -16.960 -0.560 1.00 0.00 N ATOM 404 CA GLN A 27 -9.324 -17.689 -0.766 1.00 0.00 C ATOM 405 C GLN A 27 -8.548 -17.710 0.553 1.00 0.00 C ATOM 406 O GLN A 27 -7.988 -18.715 0.937 1.00 0.00 O ATOM 407 CB GLN A 27 -8.493 -16.967 -1.837 1.00 0.00 C ATOM 408 CG GLN A 27 -8.586 -15.447 -1.638 1.00 0.00 C ATOM 409 CD GLN A 27 -7.704 -14.740 -2.674 1.00 0.00 C ATOM 410 OE1 GLN A 27 -7.331 -15.323 -3.670 1.00 0.00 O ATOM 411 NE2 GLN A 27 -7.354 -13.497 -2.474 1.00 0.00 N ATOM 0 H GLN A 27 -10.560 -16.183 0.099 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.525 -18.709 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.453 -17.287 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.853 -17.235 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.620 -15.119 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.266 -15.181 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.668 -13.007 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.767 -13.017 -3.156 1.00 0.00 H new ATOM 420 N SER A 28 -8.521 -16.601 1.249 1.00 0.00 N ATOM 421 CA SER A 28 -7.793 -16.532 2.550 1.00 0.00 C ATOM 422 C SER A 28 -8.015 -15.152 3.185 1.00 0.00 C ATOM 423 O SER A 28 -8.895 -14.962 3.999 1.00 0.00 O ATOM 424 CB SER A 28 -6.295 -16.741 2.320 1.00 0.00 C ATOM 425 OG SER A 28 -6.045 -18.124 2.123 1.00 0.00 O ATOM 0 H SER A 28 -8.977 -15.733 0.967 1.00 0.00 H new ATOM 0 HA SER A 28 -8.170 -17.311 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.965 -16.172 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.728 -16.374 3.176 1.00 0.00 H new ATOM 0 HG SER A 28 -6.895 -18.594 1.991 1.00 0.00 H new ATOM 431 N GLY A 29 -7.205 -14.192 2.817 1.00 0.00 N ATOM 432 CA GLY A 29 -7.342 -12.823 3.393 1.00 0.00 C ATOM 433 C GLY A 29 -6.332 -11.878 2.746 1.00 0.00 C ATOM 434 O GLY A 29 -5.281 -12.280 2.287 1.00 0.00 O ATOM 0 H GLY A 29 -6.451 -14.300 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.354 -12.452 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.182 -12.856 4.471 1.00 0.00 H new ATOM 438 N MET A 30 -6.650 -10.611 2.719 1.00 0.00 N ATOM 439 CA MET A 30 -5.725 -9.614 2.115 1.00 0.00 C ATOM 440 C MET A 30 -6.017 -8.217 2.667 1.00 0.00 C ATOM 441 O MET A 30 -6.937 -8.004 3.433 1.00 0.00 O ATOM 442 CB MET A 30 -5.893 -9.602 0.591 1.00 0.00 C ATOM 443 CG MET A 30 -7.364 -9.818 0.221 1.00 0.00 C ATOM 444 SD MET A 30 -7.558 -9.629 -1.568 1.00 0.00 S ATOM 445 CE MET A 30 -9.327 -10.000 -1.654 1.00 0.00 C ATOM 0 H MET A 30 -7.517 -10.224 3.092 1.00 0.00 H new ATOM 0 HA MET A 30 -4.702 -9.892 2.367 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.544 -8.652 0.187 1.00 0.00 H new ATOM 0 HB3 MET A 30 -5.279 -10.384 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.688 -10.811 0.532 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.993 -9.099 0.746 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.662 -9.939 -2.690 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.507 -11.005 -1.273 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.880 -9.280 -1.051 1.00 0.00 H new ATOM 455 N ALA A 31 -5.215 -7.264 2.266 1.00 0.00 N ATOM 456 CA ALA A 31 -5.390 -5.858 2.737 1.00 0.00 C ATOM 457 C ALA A 31 -5.326 -4.907 1.547 1.00 0.00 C ATOM 458 O ALA A 31 -4.659 -5.158 0.563 1.00 0.00 O ATOM 459 CB ALA A 31 -4.275 -5.506 3.721 1.00 0.00 C ATOM 0 H ALA A 31 -4.435 -7.403 1.623 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.358 -5.763 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.403 -4.479 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.316 -6.182 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.309 -5.605 3.226 1.00 0.00 H new ATOM 465 N LYS A 32 -6.042 -3.819 1.639 1.00 0.00 N ATOM 466 CA LYS A 32 -6.072 -2.819 0.532 1.00 0.00 C ATOM 467 C LYS A 32 -5.377 -1.540 0.967 1.00 0.00 C ATOM 468 O LYS A 32 -5.389 -1.168 2.121 1.00 0.00 O ATOM 469 CB LYS A 32 -7.529 -2.503 0.181 1.00 0.00 C ATOM 470 CG LYS A 32 -8.278 -3.792 -0.183 1.00 0.00 C ATOM 471 CD LYS A 32 -7.887 -4.244 -1.595 1.00 0.00 C ATOM 472 CE LYS A 32 -8.716 -5.465 -1.992 1.00 0.00 C ATOM 473 NZ LYS A 32 -8.353 -5.875 -3.379 1.00 0.00 N ATOM 0 H LYS A 32 -6.616 -3.577 2.447 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.557 -3.230 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.017 -2.016 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.566 -1.804 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.042 -4.575 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.354 -3.625 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.052 -3.434 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.825 -4.487 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.533 -6.285 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.779 -5.231 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.365 -6.913 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.039 -5.475 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.401 -5.524 -3.607 1.00 0.00 H new ATOM 487 N PHE A 33 -4.776 -0.864 0.026 1.00 0.00 N ATOM 488 CA PHE A 33 -4.065 0.414 0.327 1.00 0.00 C ATOM 489 C PHE A 33 -4.584 1.512 -0.590 1.00 0.00 C ATOM 490 O PHE A 33 -4.762 1.320 -1.773 1.00 0.00 O ATOM 491 CB PHE A 33 -2.561 0.230 0.108 1.00 0.00 C ATOM 492 CG PHE A 33 -1.976 -0.530 1.273 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.944 -1.929 1.254 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.467 0.167 2.375 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.403 -2.630 2.337 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.926 -0.535 3.459 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.894 -1.933 3.439 1.00 0.00 C ATOM 0 H PHE A 33 -4.747 -1.147 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.246 0.693 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.381 -0.311 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.075 1.201 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.337 -2.467 0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.492 1.247 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.378 -3.710 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.534 0.003 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.476 -2.475 4.274 1.00 0.00 H new ATOM 507 N TYR A 34 -4.824 2.665 -0.029 1.00 0.00 N ATOM 508 CA TYR A 34 -5.334 3.821 -0.825 1.00 0.00 C ATOM 509 C TYR A 34 -4.358 4.987 -0.723 1.00 0.00 C ATOM 510 O TYR A 34 -3.977 5.412 0.350 1.00 0.00 O ATOM 511 CB TYR A 34 -6.700 4.242 -0.286 1.00 0.00 C ATOM 512 CG TYR A 34 -7.225 5.391 -1.114 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.865 5.138 -2.335 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.072 6.707 -0.664 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.352 6.200 -3.102 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.558 7.771 -1.434 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.198 7.518 -2.653 1.00 0.00 C ATOM 518 OH TYR A 34 -8.680 8.567 -3.409 1.00 0.00 O ATOM 0 H TYR A 34 -4.687 2.859 0.963 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.430 3.528 -1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.394 3.403 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.617 4.539 0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.982 4.122 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.579 6.902 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.847 6.004 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.439 8.787 -1.087 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.491 9.413 -2.952 1.00 0.00 H new ATOM 528 N PHE A 35 -3.953 5.497 -1.855 1.00 0.00 N ATOM 529 CA PHE A 35 -2.995 6.642 -1.893 1.00 0.00 C ATOM 530 C PHE A 35 -3.712 7.892 -2.393 1.00 0.00 C ATOM 531 O PHE A 35 -4.242 7.931 -3.488 1.00 0.00 O ATOM 532 CB PHE A 35 -1.838 6.300 -2.836 1.00 0.00 C ATOM 533 CG PHE A 35 -1.127 5.066 -2.335 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.603 3.793 -2.677 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.005 5.196 -1.525 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.943 2.652 -2.207 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.664 4.056 -1.055 1.00 0.00 C ATOM 538 CZ PHE A 35 0.190 2.784 -1.395 1.00 0.00 C ATOM 0 H PHE A 35 -4.251 5.163 -2.772 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.607 6.828 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.215 6.131 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.141 7.136 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.478 3.693 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.371 6.178 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.307 1.670 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.539 4.157 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.698 1.904 -1.031 1.00 0.00 H new ATOM 548 N LEU A 36 -3.729 8.909 -1.576 1.00 0.00 N ATOM 549 CA LEU A 36 -4.405 10.182 -1.949 1.00 0.00 C ATOM 550 C LEU A 36 -3.433 11.107 -2.680 1.00 0.00 C ATOM 551 O LEU A 36 -2.357 11.408 -2.203 1.00 0.00 O ATOM 552 CB LEU A 36 -4.922 10.873 -0.679 1.00 0.00 C ATOM 553 CG LEU A 36 -5.513 12.248 -1.034 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.591 12.093 -2.115 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.134 12.869 0.218 1.00 0.00 C ATOM 0 H LEU A 36 -3.296 8.911 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.240 9.960 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.681 10.254 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.109 10.991 0.038 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.720 12.893 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.004 13.072 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.150 11.651 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.386 11.446 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.554 13.844 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.924 12.218 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.367 12.988 0.984 1.00 0.00 H new ATOM 567 N GLU A 37 -3.836 11.554 -3.838 1.00 0.00 N ATOM 568 CA GLU A 37 -3.000 12.470 -4.669 1.00 0.00 C ATOM 569 C GLU A 37 -1.520 12.109 -4.552 1.00 0.00 C ATOM 570 O GLU A 37 -0.735 12.850 -3.998 1.00 0.00 O ATOM 571 CB GLU A 37 -3.215 13.916 -4.214 1.00 0.00 C ATOM 572 CG GLU A 37 -4.564 14.426 -4.738 1.00 0.00 C ATOM 573 CD GLU A 37 -4.447 14.775 -6.224 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.500 15.459 -6.580 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.306 14.354 -6.980 1.00 0.00 O ATOM 0 H GLU A 37 -4.736 11.316 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.301 12.364 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.191 13.973 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.408 14.548 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.331 13.665 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.875 15.304 -4.173 1.00 0.00 H new ATOM 582 N PRO A 38 -1.139 10.980 -5.084 1.00 0.00 N ATOM 583 CA PRO A 38 0.277 10.521 -5.046 1.00 0.00 C ATOM 584 C PRO A 38 1.220 11.523 -5.722 1.00 0.00 C ATOM 585 O PRO A 38 0.864 12.186 -6.675 1.00 0.00 O ATOM 586 CB PRO A 38 0.260 9.174 -5.794 1.00 0.00 C ATOM 587 CG PRO A 38 -1.171 8.738 -5.793 1.00 0.00 C ATOM 588 CD PRO A 38 -2.010 10.013 -5.768 1.00 0.00 C ATOM 0 HA PRO A 38 0.649 10.427 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.636 9.284 -6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.895 8.440 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.396 8.142 -6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.386 8.114 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.267 10.345 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.947 9.867 -5.231 1.00 0.00 H new ATOM 596 N THR A 39 2.409 11.642 -5.202 1.00 0.00 N ATOM 597 CA THR A 39 3.404 12.608 -5.759 1.00 0.00 C ATOM 598 C THR A 39 4.134 11.987 -6.954 1.00 0.00 C ATOM 599 O THR A 39 4.767 12.676 -7.727 1.00 0.00 O ATOM 600 CB THR A 39 4.423 12.963 -4.664 1.00 0.00 C ATOM 601 OG1 THR A 39 4.947 11.771 -4.092 1.00 0.00 O ATOM 602 CG2 THR A 39 3.736 13.790 -3.575 1.00 0.00 C ATOM 0 H THR A 39 2.741 11.103 -4.402 1.00 0.00 H new ATOM 0 HA THR A 39 2.885 13.507 -6.093 1.00 0.00 H new ATOM 0 HB THR A 39 5.236 13.541 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.597 12.001 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.459 14.042 -2.799 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.338 14.706 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.921 13.212 -3.139 1.00 0.00 H new ATOM 610 N ILE A 40 4.072 10.690 -7.087 1.00 0.00 N ATOM 611 CA ILE A 40 4.776 10.002 -8.209 1.00 0.00 C ATOM 612 C ILE A 40 4.068 10.318 -9.531 1.00 0.00 C ATOM 613 O ILE A 40 4.455 9.851 -10.581 1.00 0.00 O ATOM 614 CB ILE A 40 4.765 8.484 -7.949 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.713 7.785 -8.928 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.347 7.927 -8.129 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.988 6.360 -8.450 1.00 0.00 C ATOM 0 H ILE A 40 3.558 10.071 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 40 5.807 10.351 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 40 5.095 8.300 -6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.272 7.766 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.648 8.340 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.352 6.853 -7.943 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.673 8.415 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.008 8.117 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.663 5.866 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.447 6.390 -7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.050 5.806 -8.398 1.00 0.00 H new ATOM 629 N LEU A 41 3.034 11.112 -9.480 1.00 0.00 N ATOM 630 CA LEU A 41 2.292 11.468 -10.723 1.00 0.00 C ATOM 631 C LEU A 41 3.014 12.612 -11.431 1.00 0.00 C ATOM 632 O LEU A 41 2.726 12.933 -12.565 1.00 0.00 O ATOM 633 CB LEU A 41 0.870 11.913 -10.351 1.00 0.00 C ATOM 634 CG LEU A 41 0.115 10.738 -9.719 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.258 11.215 -9.225 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.070 9.611 -10.754 1.00 0.00 C ATOM 0 H LEU A 41 2.669 11.532 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 41 2.244 10.603 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.910 12.750 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.343 12.262 -11.239 1.00 0.00 H new ATOM 0 HG LEU A 41 0.692 10.356 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.794 10.379 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.124 12.001 -8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.832 11.604 -10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.607 8.781 -10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.640 9.987 -11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.906 9.267 -11.096 1.00 0.00 H new ATOM 648 N ALA A 42 3.958 13.223 -10.764 1.00 0.00 N ATOM 649 CA ALA A 42 4.723 14.347 -11.382 1.00 0.00 C ATOM 650 C ALA A 42 5.967 13.787 -12.068 1.00 0.00 C ATOM 651 O ALA A 42 6.610 14.455 -12.850 1.00 0.00 O ATOM 652 CB ALA A 42 5.156 15.327 -10.286 1.00 0.00 C ATOM 0 H ALA A 42 4.234 12.990 -9.810 1.00 0.00 H new ATOM 0 HA ALA A 42 4.096 14.861 -12.110 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.715 16.149 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.274 15.720 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.787 14.809 -9.564 1.00 0.00 H new ATOM 658 N LYS A 43 6.314 12.561 -11.772 1.00 0.00 N ATOM 659 CA LYS A 43 7.523 11.937 -12.392 1.00 0.00 C ATOM 660 C LYS A 43 7.089 10.988 -13.509 1.00 0.00 C ATOM 661 O LYS A 43 7.476 11.140 -14.649 1.00 0.00 O ATOM 662 CB LYS A 43 8.283 11.138 -11.327 1.00 0.00 C ATOM 663 CG LYS A 43 8.867 12.100 -10.290 1.00 0.00 C ATOM 664 CD LYS A 43 9.636 11.309 -9.226 1.00 0.00 C ATOM 665 CE LYS A 43 10.236 12.274 -8.200 1.00 0.00 C ATOM 666 NZ LYS A 43 10.992 11.500 -7.173 1.00 0.00 N ATOM 0 H LYS A 43 5.808 11.960 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 43 8.166 12.717 -12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.613 10.427 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.081 10.559 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.531 12.815 -10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.068 12.675 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.969 10.604 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.427 10.723 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.898 12.984 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.445 12.854 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.699 12.117 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.333 11.146 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.472 10.697 -7.627 1.00 0.00 H new ATOM 680 N GLU A 44 6.285 10.007 -13.186 1.00 0.00 N ATOM 681 CA GLU A 44 5.818 9.032 -14.220 1.00 0.00 C ATOM 682 C GLU A 44 4.364 8.635 -13.955 1.00 0.00 C ATOM 683 O GLU A 44 3.844 8.800 -12.870 1.00 0.00 O ATOM 684 CB GLU A 44 6.698 7.781 -14.189 1.00 0.00 C ATOM 685 CG GLU A 44 8.096 8.131 -14.713 1.00 0.00 C ATOM 686 CD GLU A 44 8.999 6.896 -14.667 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.506 5.834 -14.321 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.172 7.034 -14.977 1.00 0.00 O ATOM 0 H GLU A 44 5.930 9.838 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 44 5.887 9.503 -15.200 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.765 7.394 -13.172 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.254 6.995 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.027 8.503 -15.735 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.529 8.930 -14.111 1.00 0.00 H new ATOM 695 N SER A 45 3.715 8.120 -14.962 1.00 0.00 N ATOM 696 CA SER A 45 2.290 7.705 -14.831 1.00 0.00 C ATOM 697 C SER A 45 2.155 6.572 -13.818 1.00 0.00 C ATOM 698 O SER A 45 3.050 6.297 -13.050 1.00 0.00 O ATOM 699 CB SER A 45 1.778 7.227 -16.190 1.00 0.00 C ATOM 700 OG SER A 45 0.385 6.954 -16.097 1.00 0.00 O ATOM 0 H SER A 45 4.119 7.967 -15.886 1.00 0.00 H new ATOM 0 HA SER A 45 1.705 8.558 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.962 7.988 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.316 6.331 -16.500 1.00 0.00 H new ATOM 0 HG SER A 45 0.053 6.649 -16.967 1.00 0.00 H new ATOM 706 N THR A 46 1.011 5.934 -13.813 1.00 0.00 N ATOM 707 CA THR A 46 0.751 4.813 -12.857 1.00 0.00 C ATOM 708 C THR A 46 0.966 3.466 -13.557 1.00 0.00 C ATOM 709 O THR A 46 1.166 2.454 -12.917 1.00 0.00 O ATOM 710 CB THR A 46 -0.699 4.900 -12.346 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.615 4.689 -13.415 1.00 0.00 O ATOM 712 CG2 THR A 46 -0.942 6.276 -11.724 1.00 0.00 C ATOM 0 H THR A 46 0.235 6.146 -14.440 1.00 0.00 H new ATOM 0 HA THR A 46 1.441 4.893 -12.017 1.00 0.00 H new ATOM 0 HB THR A 46 -0.854 4.127 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.424 5.220 -13.262 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.969 6.336 -11.363 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.255 6.425 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.776 7.049 -12.474 1.00 0.00 H new ATOM 720 N ASP A 47 0.907 3.446 -14.863 1.00 0.00 N ATOM 721 CA ASP A 47 1.098 2.166 -15.611 1.00 0.00 C ATOM 722 C ASP A 47 2.521 1.661 -15.385 1.00 0.00 C ATOM 723 O ASP A 47 2.765 0.477 -15.292 1.00 0.00 O ATOM 724 CB ASP A 47 0.871 2.407 -17.121 1.00 0.00 C ATOM 725 CG ASP A 47 -0.622 2.315 -17.468 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.373 1.787 -16.666 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.985 2.765 -18.544 1.00 0.00 O ATOM 0 H ASP A 47 0.734 4.264 -15.447 1.00 0.00 H new ATOM 0 HA ASP A 47 0.383 1.425 -15.254 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.254 3.389 -17.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.430 1.671 -17.700 1.00 0.00 H new ATOM 732 N ASP A 48 3.457 2.567 -15.317 1.00 0.00 N ATOM 733 CA ASP A 48 4.881 2.183 -15.119 1.00 0.00 C ATOM 734 C ASP A 48 5.032 1.473 -13.777 1.00 0.00 C ATOM 735 O ASP A 48 5.762 0.512 -13.650 1.00 0.00 O ATOM 736 CB ASP A 48 5.741 3.456 -15.113 1.00 0.00 C ATOM 737 CG ASP A 48 5.324 4.369 -13.956 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.166 4.328 -13.586 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.174 5.095 -13.463 1.00 0.00 O ATOM 0 H ASP A 48 3.292 3.571 -15.391 1.00 0.00 H new ATOM 0 HA ASP A 48 5.200 1.518 -15.922 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.794 3.192 -15.016 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.630 3.983 -16.060 1.00 0.00 H new ATOM 744 N ILE A 49 4.352 1.958 -12.774 1.00 0.00 N ATOM 745 CA ILE A 49 4.445 1.343 -11.423 1.00 0.00 C ATOM 746 C ILE A 49 4.115 -0.145 -11.509 1.00 0.00 C ATOM 747 O ILE A 49 4.989 -0.966 -11.679 1.00 0.00 O ATOM 748 CB ILE A 49 3.444 2.023 -10.480 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.824 3.499 -10.310 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.483 1.331 -9.114 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.710 4.246 -9.568 1.00 0.00 C ATOM 0 H ILE A 49 3.729 2.764 -12.836 1.00 0.00 H new ATOM 0 HA ILE A 49 5.458 1.471 -11.042 1.00 0.00 H new ATOM 0 HB ILE A 49 2.441 1.950 -10.900 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.759 3.581 -9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.991 3.955 -11.286 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.773 1.812 -8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.218 0.280 -9.231 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.487 1.407 -8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.989 5.293 -9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.784 4.178 -10.139 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.564 3.798 -8.585 1.00 0.00 H new ATOM 763 N THR A 50 2.855 -0.475 -11.383 1.00 0.00 N ATOM 764 CA THR A 50 2.411 -1.897 -11.434 1.00 0.00 C ATOM 765 C THR A 50 2.962 -2.638 -10.214 1.00 0.00 C ATOM 766 O THR A 50 2.276 -3.414 -9.583 1.00 0.00 O ATOM 767 CB THR A 50 2.924 -2.560 -12.718 1.00 0.00 C ATOM 768 OG1 THR A 50 2.771 -1.658 -13.802 1.00 0.00 O ATOM 769 CG2 THR A 50 2.118 -3.831 -12.991 1.00 0.00 C ATOM 0 H THR A 50 2.101 0.198 -11.244 1.00 0.00 H new ATOM 0 HA THR A 50 1.322 -1.938 -11.428 1.00 0.00 H new ATOM 0 HB THR A 50 3.977 -2.818 -12.604 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.099 -2.077 -14.625 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.482 -4.303 -13.904 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.232 -4.521 -12.155 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.065 -3.576 -13.109 1.00 0.00 H new ATOM 777 N GLY A 51 4.201 -2.398 -9.892 1.00 0.00 N ATOM 778 CA GLY A 51 4.846 -3.069 -8.730 1.00 0.00 C ATOM 779 C GLY A 51 4.796 -2.166 -7.505 1.00 0.00 C ATOM 780 O GLY A 51 4.910 -0.962 -7.598 1.00 0.00 O ATOM 0 H GLY A 51 4.807 -1.751 -10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.339 -4.010 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.881 -3.311 -8.970 1.00 0.00 H new ATOM 784 N MET A 52 4.634 -2.759 -6.351 1.00 0.00 N ATOM 785 CA MET A 52 4.579 -1.974 -5.081 1.00 0.00 C ATOM 786 C MET A 52 5.603 -2.525 -4.095 1.00 0.00 C ATOM 787 O MET A 52 5.629 -3.703 -3.793 1.00 0.00 O ATOM 788 CB MET A 52 3.175 -2.073 -4.484 1.00 0.00 C ATOM 789 CG MET A 52 3.101 -1.218 -3.219 1.00 0.00 C ATOM 790 SD MET A 52 1.396 -1.191 -2.611 1.00 0.00 S ATOM 791 CE MET A 52 1.269 -2.946 -2.188 1.00 0.00 C ATOM 0 H MET A 52 4.536 -3.767 -6.233 1.00 0.00 H new ATOM 0 HA MET A 52 4.810 -0.929 -5.287 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.435 -1.735 -5.209 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.940 -3.111 -4.249 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.765 -1.622 -2.455 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.439 -0.204 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.707 -3.057 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.755 -3.477 -2.989 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.268 -3.362 -2.059 1.00 0.00 H new ATOM 801 N TYR A 53 6.458 -1.664 -3.603 1.00 0.00 N ATOM 802 CA TYR A 53 7.516 -2.092 -2.636 1.00 0.00 C ATOM 803 C TYR A 53 7.197 -1.567 -1.238 1.00 0.00 C ATOM 804 O TYR A 53 7.262 -0.382 -0.964 1.00 0.00 O ATOM 805 CB TYR A 53 8.869 -1.544 -3.095 1.00 0.00 C ATOM 806 CG TYR A 53 9.281 -2.239 -4.372 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.730 -1.840 -5.595 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.212 -3.282 -4.330 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.110 -2.485 -6.778 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.594 -3.927 -5.513 1.00 0.00 C ATOM 811 CZ TYR A 53 10.042 -3.529 -6.736 1.00 0.00 C ATOM 812 OH TYR A 53 10.418 -4.165 -7.902 1.00 0.00 O ATOM 0 H TYR A 53 6.468 -0.670 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 53 7.551 -3.181 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.802 -0.468 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.620 -1.703 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.011 -1.034 -5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.636 -3.590 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.685 -2.178 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.314 -4.731 -5.482 1.00 0.00 H new ATOM 0 HH TYR A 53 11.073 -4.865 -7.697 1.00 0.00 H new ATOM 822 N LEU A 54 6.861 -2.469 -0.351 1.00 0.00 N ATOM 823 CA LEU A 54 6.538 -2.085 1.056 1.00 0.00 C ATOM 824 C LEU A 54 7.779 -2.297 1.924 1.00 0.00 C ATOM 825 O LEU A 54 8.314 -3.384 2.009 1.00 0.00 O ATOM 826 CB LEU A 54 5.390 -2.959 1.574 1.00 0.00 C ATOM 827 CG LEU A 54 4.206 -2.887 0.603 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.059 -3.751 1.132 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.733 -1.434 0.463 1.00 0.00 C ATOM 0 H LEU A 54 6.796 -3.468 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 54 6.236 -1.038 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.725 -3.991 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.082 -2.622 2.564 1.00 0.00 H new ATOM 0 HG LEU A 54 4.520 -3.256 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.217 -3.700 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.393 -4.785 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.749 -3.384 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.892 -1.390 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.422 -1.057 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.549 -0.821 0.080 1.00 0.00 H new ATOM 841 N ILE A 55 8.242 -1.254 2.563 1.00 0.00 N ATOM 842 CA ILE A 55 9.462 -1.358 3.428 1.00 0.00 C ATOM 843 C ILE A 55 9.069 -1.379 4.901 1.00 0.00 C ATOM 844 O ILE A 55 8.305 -0.559 5.374 1.00 0.00 O ATOM 845 CB ILE A 55 10.386 -0.163 3.161 1.00 0.00 C ATOM 846 CG1 ILE A 55 10.972 -0.284 1.749 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.527 -0.150 4.180 1.00 0.00 C ATOM 848 CD1 ILE A 55 9.868 -0.113 0.696 1.00 0.00 C ATOM 0 H ILE A 55 7.825 -0.324 2.524 1.00 0.00 H new ATOM 0 HA ILE A 55 9.983 -2.285 3.189 1.00 0.00 H new ATOM 0 HB ILE A 55 9.814 0.761 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.744 0.472 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.451 -1.256 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.179 0.701 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.115 -0.068 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.100 -1.073 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.299 -0.201 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.111 -0.885 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.409 0.869 0.807 1.00 0.00 H new ATOM 860 N ASP A 56 9.606 -2.329 5.624 1.00 0.00 N ATOM 861 CA ASP A 56 9.305 -2.456 7.080 1.00 0.00 C ATOM 862 C ASP A 56 10.609 -2.659 7.864 1.00 0.00 C ATOM 863 O ASP A 56 11.680 -2.278 7.433 1.00 0.00 O ATOM 864 CB ASP A 56 8.397 -3.665 7.312 1.00 0.00 C ATOM 865 CG ASP A 56 7.101 -3.500 6.520 1.00 0.00 C ATOM 866 OD1 ASP A 56 6.911 -2.442 5.946 1.00 0.00 O ATOM 867 OD2 ASP A 56 6.326 -4.441 6.494 1.00 0.00 O ATOM 0 H ASP A 56 10.250 -3.032 5.260 1.00 0.00 H new ATOM 0 HA ASP A 56 8.808 -1.547 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.907 -4.578 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.174 -3.765 8.374 1.00 0.00 H new ATOM 872 N ASP A 57 10.500 -3.249 9.031 1.00 0.00 N ATOM 873 CA ASP A 57 11.691 -3.483 9.898 1.00 0.00 C ATOM 874 C ASP A 57 12.566 -4.574 9.309 1.00 0.00 C ATOM 875 O ASP A 57 12.320 -5.743 9.511 1.00 0.00 O ATOM 876 CB ASP A 57 11.231 -3.895 11.310 1.00 0.00 C ATOM 877 CG ASP A 57 10.361 -5.155 11.252 1.00 0.00 C ATOM 878 OD1 ASP A 57 9.971 -5.540 10.163 1.00 0.00 O ATOM 879 OD2 ASP A 57 10.090 -5.712 12.306 1.00 0.00 O ATOM 0 H ASP A 57 9.619 -3.583 9.423 1.00 0.00 H new ATOM 0 HA ASP A 57 12.269 -2.561 9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.100 -4.076 11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.669 -3.080 11.767 1.00 0.00 H new ATOM 884 N GLU A 58 13.586 -4.174 8.591 1.00 0.00 N ATOM 885 CA GLU A 58 14.534 -5.136 7.964 1.00 0.00 C ATOM 886 C GLU A 58 13.801 -5.943 6.890 1.00 0.00 C ATOM 887 O GLU A 58 14.336 -6.221 5.836 1.00 0.00 O ATOM 888 CB GLU A 58 15.095 -6.084 9.034 1.00 0.00 C ATOM 889 CG GLU A 58 15.841 -5.266 10.094 1.00 0.00 C ATOM 890 CD GLU A 58 16.370 -6.198 11.186 1.00 0.00 C ATOM 891 OE1 GLU A 58 16.192 -7.398 11.054 1.00 0.00 O ATOM 892 OE2 GLU A 58 16.945 -5.696 12.138 1.00 0.00 O ATOM 0 H GLU A 58 13.803 -3.194 8.411 1.00 0.00 H new ATOM 0 HA GLU A 58 15.358 -4.588 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.285 -6.648 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.768 -6.809 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.667 -4.723 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.174 -4.522 10.529 1.00 0.00 H new ATOM 899 N GLY A 59 12.584 -6.321 7.163 1.00 0.00 N ATOM 900 CA GLY A 59 11.791 -7.123 6.194 1.00 0.00 C ATOM 901 C GLY A 59 11.020 -6.214 5.244 1.00 0.00 C ATOM 902 O GLY A 59 10.784 -5.055 5.518 1.00 0.00 O ATOM 0 H GLY A 59 12.098 -6.103 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.454 -7.773 5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.096 -7.768 6.731 1.00 0.00 H new ATOM 906 N GLU A 60 10.618 -6.756 4.127 1.00 0.00 N ATOM 907 CA GLU A 60 9.847 -5.963 3.128 1.00 0.00 C ATOM 908 C GLU A 60 8.928 -6.882 2.326 1.00 0.00 C ATOM 909 O GLU A 60 9.226 -8.037 2.092 1.00 0.00 O ATOM 910 CB GLU A 60 10.818 -5.251 2.183 1.00 0.00 C ATOM 911 CG GLU A 60 11.644 -6.280 1.401 1.00 0.00 C ATOM 912 CD GLU A 60 12.692 -5.560 0.549 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.392 -4.482 0.061 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.776 -6.097 0.400 1.00 0.00 O ATOM 0 H GLU A 60 10.793 -7.725 3.861 1.00 0.00 H new ATOM 0 HA GLU A 60 9.239 -5.224 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.264 -4.616 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.480 -4.599 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.132 -6.968 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.991 -6.877 0.764 1.00 0.00 H new ATOM 921 N ILE A 61 7.806 -6.359 1.908 1.00 0.00 N ATOM 922 CA ILE A 61 6.822 -7.155 1.114 1.00 0.00 C ATOM 923 C ILE A 61 6.630 -6.510 -0.253 1.00 0.00 C ATOM 924 O ILE A 61 6.407 -5.322 -0.372 1.00 0.00 O ATOM 925 CB ILE A 61 5.483 -7.206 1.856 1.00 0.00 C ATOM 926 CG1 ILE A 61 5.667 -7.970 3.168 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.448 -7.923 0.985 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.433 -7.783 4.052 1.00 0.00 C ATOM 0 H ILE A 61 7.524 -5.395 2.087 1.00 0.00 H new ATOM 0 HA ILE A 61 7.198 -8.170 0.983 1.00 0.00 H new ATOM 0 HB ILE A 61 5.138 -6.194 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.823 -9.029 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.556 -7.611 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.494 -7.961 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.324 -7.382 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.788 -8.937 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.568 -8.329 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.297 -6.723 4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.553 -8.163 3.533 1.00 0.00 H new ATOM 940 N ILE A 62 6.732 -7.302 -1.284 1.00 0.00 N ATOM 941 CA ILE A 62 6.575 -6.786 -2.679 1.00 0.00 C ATOM 942 C ILE A 62 5.470 -7.554 -3.392 1.00 0.00 C ATOM 943 O ILE A 62 5.405 -8.768 -3.354 1.00 0.00 O ATOM 944 CB ILE A 62 7.894 -6.961 -3.439 1.00 0.00 C ATOM 945 CG1 ILE A 62 8.981 -6.112 -2.773 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.703 -6.502 -4.888 1.00 0.00 C ATOM 947 CD1 ILE A 62 10.357 -6.545 -3.283 1.00 0.00 C ATOM 0 H ILE A 62 6.921 -8.302 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 62 6.311 -5.729 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 62 8.193 -8.009 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.817 -5.057 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.932 -6.225 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.638 -6.624 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.926 -7.103 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.409 -5.452 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.128 -5.939 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.520 -7.595 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.404 -6.409 -4.364 1.00 0.00 H new ATOM 959 N THR A 63 4.601 -6.837 -4.051 1.00 0.00 N ATOM 960 CA THR A 63 3.481 -7.479 -4.797 1.00 0.00 C ATOM 961 C THR A 63 3.231 -6.728 -6.106 1.00 0.00 C ATOM 962 O THR A 63 3.473 -5.543 -6.219 1.00 0.00 O ATOM 963 CB THR A 63 2.209 -7.461 -3.945 1.00 0.00 C ATOM 964 OG1 THR A 63 1.114 -7.908 -4.735 1.00 0.00 O ATOM 965 CG2 THR A 63 1.926 -6.043 -3.433 1.00 0.00 C ATOM 0 H THR A 63 4.620 -5.819 -4.105 1.00 0.00 H new ATOM 0 HA THR A 63 3.750 -8.512 -5.019 1.00 0.00 H new ATOM 0 HB THR A 63 2.345 -8.120 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.296 -7.901 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.018 -6.049 -2.829 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.764 -5.702 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.794 -5.370 -4.280 1.00 0.00 H new ATOM 973 N ARG A 64 2.756 -7.432 -7.096 1.00 0.00 N ATOM 974 CA ARG A 64 2.478 -6.809 -8.426 1.00 0.00 C ATOM 975 C ARG A 64 0.993 -6.466 -8.508 1.00 0.00 C ATOM 976 O ARG A 64 0.516 -5.963 -9.504 1.00 0.00 O ATOM 977 CB ARG A 64 2.843 -7.810 -9.531 1.00 0.00 C ATOM 978 CG ARG A 64 4.338 -8.164 -9.444 1.00 0.00 C ATOM 979 CD ARG A 64 5.177 -7.092 -10.150 1.00 0.00 C ATOM 980 NE ARG A 64 4.760 -7.004 -11.579 1.00 0.00 N ATOM 981 CZ ARG A 64 5.220 -6.049 -12.347 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.058 -5.160 -11.876 1.00 0.00 N ATOM 983 NH2 ARG A 64 4.841 -5.984 -13.594 1.00 0.00 N ATOM 0 H ARG A 64 2.545 -8.428 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 64 3.068 -5.901 -8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.240 -8.712 -9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.618 -7.384 -10.509 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.640 -8.244 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.516 -9.137 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.043 -6.128 -9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.236 -7.340 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 64 4.112 -7.693 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.358 -5.208 -10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.411 -4.420 -12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.189 -6.675 -13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.196 -5.242 -14.197 1.00 0.00 H new ATOM 997 N GLU A 65 0.267 -6.742 -7.457 1.00 0.00 N ATOM 998 CA GLU A 65 -1.193 -6.444 -7.437 1.00 0.00 C ATOM 999 C GLU A 65 -1.399 -4.953 -7.203 1.00 0.00 C ATOM 1000 O GLU A 65 -1.652 -4.513 -6.099 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.864 -7.244 -6.312 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.758 -8.741 -6.616 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.562 -9.067 -7.877 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.431 -8.283 -8.220 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.292 -10.095 -8.476 1.00 0.00 O ATOM 0 H GLU A 65 0.629 -7.166 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.638 -6.726 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.386 -7.021 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.911 -6.954 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.714 -9.021 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.133 -9.321 -5.773 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.283 -4.179 -8.247 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.462 -2.701 -8.133 1.00 0.00 C ATOM 1014 C VAL A 66 -2.485 -2.223 -9.160 1.00 0.00 C ATOM 1015 O VAL A 66 -2.444 -2.581 -10.321 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.125 -2.004 -8.382 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.308 -0.492 -8.252 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.896 -2.486 -7.350 1.00 0.00 C ATOM 0 H VAL A 66 -1.069 -4.511 -9.187 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.818 -2.459 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 66 0.231 -2.241 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.645 0.006 -8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.039 -0.150 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.661 -0.253 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.851 -1.991 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.541 -2.247 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.024 -3.565 -7.441 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.403 -1.402 -8.722 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.455 -0.859 -9.635 1.00 0.00 C ATOM 1030 C LYS A 67 -4.567 0.652 -9.441 1.00 0.00 C ATOM 1031 O LYS A 67 -4.532 1.161 -8.338 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.798 -1.516 -9.316 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.729 -3.001 -9.670 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.067 -3.671 -9.345 1.00 0.00 C ATOM 1035 CE LYS A 67 -6.996 -5.156 -9.715 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.299 -5.808 -9.403 1.00 0.00 N ATOM 0 H LYS A 67 -3.470 -1.080 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.184 -1.073 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.035 -1.393 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.596 -1.032 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.498 -3.122 -10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.926 -3.481 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.294 -3.560 -8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.873 -3.186 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.766 -5.267 -10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.192 -5.642 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.252 -6.816 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.500 -5.713 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.056 -5.350 -9.950 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.683 1.366 -10.527 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.781 2.854 -10.473 1.00 0.00 C ATOM 1052 C GLY A 68 -6.232 3.299 -10.621 1.00 0.00 C ATOM 1053 O GLY A 68 -6.941 2.884 -11.517 1.00 0.00 O ATOM 0 H GLY A 68 -4.715 0.974 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.378 3.217 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.177 3.293 -11.267 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.661 4.162 -9.743 1.00 0.00 N ATOM 1058 CA LYS A 69 -8.058 4.689 -9.789 1.00 0.00 C ATOM 1059 C LYS A 69 -8.049 6.104 -10.357 1.00 0.00 C ATOM 1060 O LYS A 69 -7.465 7.019 -9.797 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.647 4.697 -8.376 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.971 3.262 -7.953 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.552 3.261 -6.537 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.913 1.829 -6.133 1.00 0.00 C ATOM 1065 NZ LYS A 69 -11.075 1.364 -6.942 1.00 0.00 N ATOM 0 H LYS A 69 -6.093 4.532 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.669 4.051 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.939 5.143 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.549 5.308 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.683 2.819 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.070 2.650 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.828 3.676 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.437 3.896 -6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.060 1.169 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.156 1.789 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.502 0.531 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.782 2.125 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.754 1.112 -7.898 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.693 6.276 -11.484 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.739 7.613 -12.146 1.00 0.00 C ATOM 1081 C PHE A 70 -10.136 8.208 -12.024 1.00 0.00 C ATOM 1082 O PHE A 70 -11.136 7.542 -12.212 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.395 7.455 -13.630 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.132 6.645 -13.772 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.193 5.246 -13.751 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -5.900 7.289 -13.921 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.021 4.492 -13.881 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -4.727 6.536 -14.050 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.787 5.136 -14.030 1.00 0.00 C ATOM 0 H PHE A 70 -9.194 5.538 -11.978 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.020 8.274 -11.662 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.215 6.964 -14.154 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.265 8.435 -14.090 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.145 4.749 -13.634 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.853 8.368 -13.937 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.069 3.413 -13.866 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.776 7.034 -14.165 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.882 4.555 -14.129 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.193 9.475 -11.721 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.497 10.186 -11.585 1.00 0.00 C ATOM 1101 C ILE A 71 -11.564 11.316 -12.615 1.00 0.00 C ATOM 1102 O ILE A 71 -10.669 12.132 -12.727 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.622 10.755 -10.168 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.659 9.594 -9.168 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.912 11.572 -10.060 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.579 10.134 -7.737 1.00 0.00 C ATOM 0 H ILE A 71 -9.374 10.060 -11.558 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.319 9.492 -11.761 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.771 11.400 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.576 9.020 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.828 8.914 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.003 11.978 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.886 12.390 -10.780 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.768 10.931 -10.271 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.606 9.303 -7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.649 10.688 -7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.425 10.796 -7.550 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.632 11.344 -13.362 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.834 12.387 -14.409 1.00 0.00 C ATOM 1120 C ASN A 72 -11.696 12.318 -15.435 1.00 0.00 C ATOM 1121 O ASN A 72 -11.330 13.305 -16.038 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.877 13.770 -13.764 1.00 0.00 C ATOM 1123 CG ASN A 72 -13.892 13.773 -12.617 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -14.870 12.909 -12.617 1.00 0.00 O flip ATOM 1125 ND2 ASN A 72 -13.794 14.574 -11.711 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.394 10.670 -13.289 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.781 12.207 -14.917 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.889 14.038 -13.389 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.150 14.520 -14.506 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.031 15.250 -11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.475 14.571 -10.952 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.165 11.143 -15.646 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.069 10.962 -16.642 1.00 0.00 C ATOM 1134 C GLY A 73 -8.822 11.676 -16.142 1.00 0.00 C ATOM 1135 O GLY A 73 -7.968 12.061 -16.915 1.00 0.00 O ATOM 0 H GLY A 73 -11.448 10.290 -15.164 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.863 9.901 -16.787 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.370 11.363 -17.610 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.714 11.858 -14.848 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.526 12.557 -14.276 1.00 0.00 C ATOM 1141 C ARG A 74 -7.014 11.802 -13.026 1.00 0.00 C ATOM 1142 O ARG A 74 -7.693 11.749 -12.012 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.908 13.984 -13.891 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.650 14.753 -13.457 1.00 0.00 C ATOM 1145 CD ARG A 74 -6.980 16.246 -13.311 1.00 0.00 C ATOM 1146 NE ARG A 74 -7.120 16.864 -14.663 1.00 0.00 N ATOM 1147 CZ ARG A 74 -7.267 18.162 -14.791 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -7.282 18.944 -13.739 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -7.400 18.679 -15.982 1.00 0.00 N ATOM 0 H ARG A 74 -9.403 11.550 -14.162 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.734 12.581 -15.025 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.380 14.486 -14.736 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.636 13.970 -13.080 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.279 14.358 -12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.857 14.616 -14.192 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.904 16.371 -12.746 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.193 16.749 -12.750 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.101 16.273 -15.494 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.179 18.545 -12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.397 19.951 -13.854 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.389 18.075 -16.804 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.515 19.687 -16.091 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.826 11.226 -13.099 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.210 10.473 -11.964 1.00 0.00 C ATOM 1165 C PRO A 75 -5.388 11.183 -10.625 1.00 0.00 C ATOM 1166 O PRO A 75 -4.730 12.162 -10.342 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.726 10.416 -12.356 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.722 10.426 -13.851 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.945 11.226 -14.279 1.00 0.00 C ATOM 0 HA PRO A 75 -5.669 9.495 -11.820 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.178 11.268 -11.954 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.249 9.517 -11.966 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.808 10.880 -14.234 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.764 9.411 -14.246 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.672 12.241 -14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.435 10.770 -15.139 1.00 0.00 H new ATOM 1177 N THR A 76 -6.281 10.695 -9.806 1.00 0.00 N ATOM 1178 CA THR A 76 -6.529 11.332 -8.476 1.00 0.00 C ATOM 1179 C THR A 76 -6.010 10.428 -7.355 1.00 0.00 C ATOM 1180 O THR A 76 -5.524 10.905 -6.349 1.00 0.00 O ATOM 1181 CB THR A 76 -8.033 11.550 -8.296 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.563 12.150 -9.470 1.00 0.00 O ATOM 1183 CG2 THR A 76 -8.267 12.470 -7.097 1.00 0.00 C ATOM 0 H THR A 76 -6.855 9.875 -10.002 1.00 0.00 H new ATOM 0 HA THR A 76 -6.007 12.288 -8.433 1.00 0.00 H new ATOM 0 HB THR A 76 -8.528 10.595 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.075 11.822 -10.254 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.337 12.629 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.854 12.010 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.777 13.428 -7.272 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.119 9.127 -7.504 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.637 8.216 -6.418 1.00 0.00 C ATOM 1193 C ALA A 77 -5.269 6.840 -6.977 1.00 0.00 C ATOM 1194 O ALA A 77 -5.694 6.447 -8.044 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.735 8.052 -5.368 1.00 0.00 C ATOM 0 H ALA A 77 -6.516 8.663 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.748 8.659 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.386 7.389 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.981 9.025 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.623 7.625 -5.834 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.470 6.114 -6.232 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.031 4.746 -6.660 1.00 0.00 C ATOM 1203 C ILE A 78 -4.435 3.722 -5.601 1.00 0.00 C ATOM 1204 O ILE A 78 -4.541 4.024 -4.428 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.506 4.719 -6.827 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.107 5.627 -7.992 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.052 3.284 -7.116 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.589 5.830 -7.994 1.00 0.00 C ATOM 0 H ILE A 78 -4.098 6.416 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.507 4.501 -7.609 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.031 5.073 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.425 5.184 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.612 6.589 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.969 3.262 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.339 2.638 -6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.525 2.930 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.310 6.477 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.282 6.292 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.093 4.865 -8.103 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.671 2.507 -6.027 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.082 1.424 -5.080 1.00 0.00 C ATOM 1222 C GLU A 79 -4.222 0.181 -5.302 1.00 0.00 C ATOM 1223 O GLU A 79 -3.782 -0.110 -6.396 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.555 1.079 -5.317 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.041 0.114 -4.226 1.00 0.00 C ATOM 1226 CD GLU A 79 -7.097 0.839 -2.878 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -6.924 2.045 -2.865 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -7.318 0.173 -1.882 1.00 0.00 O ATOM 0 H GLU A 79 -4.596 2.215 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.946 1.770 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.158 1.987 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.679 0.624 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.027 -0.272 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.370 -0.743 -4.161 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.990 -0.557 -4.247 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.166 -1.798 -4.339 1.00 0.00 C ATOM 1237 C ALA A 80 -3.681 -2.839 -3.348 1.00 0.00 C ATOM 1238 O ALA A 80 -4.262 -2.518 -2.331 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.711 -1.469 -4.015 1.00 0.00 C ATOM 0 H ALA A 80 -4.342 -0.348 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.236 -2.198 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.109 -2.375 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.338 -0.732 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.646 -1.064 -3.005 1.00 0.00 H new ATOM 1245 N THR A 81 -3.474 -4.095 -3.659 1.00 0.00 N ATOM 1246 CA THR A 81 -3.947 -5.205 -2.774 1.00 0.00 C ATOM 1247 C THR A 81 -2.769 -6.059 -2.319 1.00 0.00 C ATOM 1248 O THR A 81 -1.929 -6.458 -3.100 1.00 0.00 O ATOM 1249 CB THR A 81 -4.939 -6.081 -3.539 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.066 -5.301 -3.908 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.385 -7.239 -2.644 1.00 0.00 C ATOM 0 H THR A 81 -2.990 -4.403 -4.502 1.00 0.00 H new ATOM 0 HA THR A 81 -4.432 -4.773 -1.899 1.00 0.00 H new ATOM 0 HB THR A 81 -4.465 -6.479 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.299 -5.484 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.093 -7.866 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.517 -7.834 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.863 -6.843 -1.748 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.717 -6.338 -1.041 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.609 -7.169 -0.477 1.00 0.00 C ATOM 1261 C VAL A 82 -2.156 -8.535 -0.059 1.00 0.00 C ATOM 1262 O VAL A 82 -3.162 -8.645 0.619 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.008 -6.457 0.741 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.044 -7.405 1.460 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.249 -5.214 0.270 1.00 0.00 C ATOM 0 H VAL A 82 -3.403 -6.022 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.836 -7.308 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.803 -6.163 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.384 -6.900 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.584 -8.293 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.755 -7.697 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.181 -4.702 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.548 -5.511 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.935 -4.542 -0.246 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.487 -9.575 -0.479 1.00 0.00 N ATOM 1276 CA ILE A 83 -1.924 -10.963 -0.151 1.00 0.00 C ATOM 1277 C ILE A 83 -1.338 -11.398 1.190 1.00 0.00 C ATOM 1278 O ILE A 83 -0.145 -11.361 1.408 1.00 0.00 O ATOM 1279 CB ILE A 83 -1.448 -11.912 -1.263 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -1.783 -11.300 -2.631 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.152 -13.263 -1.126 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -3.261 -10.898 -2.676 1.00 0.00 C ATOM 0 H ILE A 83 -0.641 -9.520 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.011 -10.994 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.371 -12.056 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.155 -10.428 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.568 -12.018 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.812 -13.932 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.917 -13.699 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.230 -13.122 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.491 -10.465 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.883 -11.779 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.462 -10.164 -1.896 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.197 -11.806 2.088 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.753 -12.260 3.445 1.00 0.00 C ATOM 1296 C LEU A 84 -2.135 -13.731 3.624 1.00 0.00 C ATOM 1297 O LEU A 84 -2.587 -14.141 4.674 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.455 -11.413 4.512 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.186 -9.923 4.256 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.954 -9.085 5.284 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.683 -9.639 4.385 1.00 0.00 C ATOM 0 H LEU A 84 -3.205 -11.845 1.938 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.673 -12.147 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.528 -11.606 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.097 -11.691 5.503 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.516 -9.663 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.765 -8.027 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.022 -9.284 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.622 -9.348 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.496 -8.581 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.348 -9.899 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.136 -10.235 3.655 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.970 -14.520 2.596 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.331 -15.966 2.679 1.00 0.00 C ATOM 1315 C ASN A 85 -1.458 -16.654 3.734 1.00 0.00 C ATOM 1316 O ASN A 85 -1.919 -17.503 4.470 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.098 -16.630 1.314 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.110 -16.085 0.302 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -3.954 -15.163 0.672 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -3.126 -16.499 -0.840 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.597 -14.222 1.694 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.380 -16.061 2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.082 -16.433 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.201 -17.712 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.466 -17.220 -1.130 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.800 -16.125 -1.509 1.00 0.00 H new ATOM 1327 N SER A 86 -0.198 -16.309 3.793 1.00 0.00 N ATOM 1328 CA SER A 86 0.723 -16.951 4.780 1.00 0.00 C ATOM 1329 C SER A 86 0.564 -16.296 6.154 1.00 0.00 C ATOM 1330 O SER A 86 0.184 -15.149 6.275 1.00 0.00 O ATOM 1331 CB SER A 86 2.171 -16.791 4.297 1.00 0.00 C ATOM 1332 OG SER A 86 2.204 -16.868 2.881 1.00 0.00 O ATOM 0 H SER A 86 0.236 -15.605 3.196 1.00 0.00 H new ATOM 0 HA SER A 86 0.477 -18.009 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.574 -15.835 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.799 -17.570 4.730 1.00 0.00 H new ATOM 0 HG SER A 86 3.127 -16.764 2.569 1.00 0.00 H new ATOM 1338 N GLN A 87 0.846 -17.042 7.186 1.00 0.00 N ATOM 1339 CA GLN A 87 0.710 -16.515 8.571 1.00 0.00 C ATOM 1340 C GLN A 87 1.790 -15.472 8.867 1.00 0.00 C ATOM 1341 O GLN A 87 1.502 -14.425 9.410 1.00 0.00 O ATOM 1342 CB GLN A 87 0.819 -17.691 9.575 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.442 -17.744 10.441 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.289 -18.820 11.513 1.00 0.00 C ATOM 1345 OE1 GLN A 87 0.765 -19.405 11.655 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -1.304 -19.103 12.279 1.00 0.00 N ATOM 0 H GLN A 87 1.169 -18.008 7.126 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.262 -16.032 8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.943 -18.631 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.700 -17.565 10.204 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.614 -16.774 10.908 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.312 -17.958 9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.188 -18.609 12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.214 -19.818 13.001 1.00 0.00 H new ATOM 1355 N PRO A 88 3.024 -15.752 8.531 1.00 0.00 N ATOM 1356 CA PRO A 88 4.151 -14.810 8.789 1.00 0.00 C ATOM 1357 C PRO A 88 3.855 -13.414 8.232 1.00 0.00 C ATOM 1358 O PRO A 88 4.236 -12.414 8.800 1.00 0.00 O ATOM 1359 CB PRO A 88 5.334 -15.450 8.041 1.00 0.00 C ATOM 1360 CG PRO A 88 5.013 -16.908 7.995 1.00 0.00 C ATOM 1361 CD PRO A 88 3.491 -16.990 7.878 1.00 0.00 C ATOM 0 HA PRO A 88 4.339 -14.668 9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.438 -15.036 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.275 -15.268 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.498 -17.390 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.365 -17.415 8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.171 -17.039 6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.098 -17.877 8.374 1.00 0.00 H new ATOM 1369 N GLU A 89 3.176 -13.361 7.116 1.00 0.00 N ATOM 1370 CA GLU A 89 2.835 -12.052 6.491 1.00 0.00 C ATOM 1371 C GLU A 89 1.911 -11.266 7.421 1.00 0.00 C ATOM 1372 O GLU A 89 2.047 -10.071 7.578 1.00 0.00 O ATOM 1373 CB GLU A 89 2.114 -12.301 5.158 1.00 0.00 C ATOM 1374 CG GLU A 89 3.096 -12.881 4.136 1.00 0.00 C ATOM 1375 CD GLU A 89 4.156 -11.835 3.784 1.00 0.00 C ATOM 1376 OE1 GLU A 89 3.894 -10.662 3.995 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.214 -12.225 3.321 1.00 0.00 O ATOM 0 H GLU A 89 2.840 -14.179 6.607 1.00 0.00 H new ATOM 0 HA GLU A 89 3.748 -11.483 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.282 -12.989 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.693 -11.368 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.573 -13.773 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.561 -13.187 3.237 1.00 0.00 H new ATOM 1384 N TRP A 90 0.972 -11.935 8.034 1.00 0.00 N ATOM 1385 CA TRP A 90 0.028 -11.240 8.957 1.00 0.00 C ATOM 1386 C TRP A 90 0.802 -10.672 10.146 1.00 0.00 C ATOM 1387 O TRP A 90 0.548 -9.572 10.587 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.029 -12.241 9.466 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.140 -12.349 8.473 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.333 -13.388 7.632 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.207 -11.395 8.202 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.456 -13.136 6.864 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.028 -11.919 7.178 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.537 -10.136 8.740 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.143 -11.223 6.708 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.659 -9.433 8.267 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.459 -9.974 7.252 1.00 0.00 C ATOM 0 H TRP A 90 0.817 -12.938 7.935 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.467 -10.429 8.423 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.572 -13.218 9.623 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.420 -11.913 10.429 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.713 -14.270 7.569 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.817 -13.772 6.153 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.925 -9.708 9.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.758 -11.647 5.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.906 -8.470 8.689 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.318 -9.428 6.891 1.00 0.00 H new ATOM 1408 N ASP A 91 1.729 -11.426 10.669 1.00 0.00 N ATOM 1409 CA ASP A 91 2.520 -10.952 11.841 1.00 0.00 C ATOM 1410 C ASP A 91 3.244 -9.664 11.459 1.00 0.00 C ATOM 1411 O ASP A 91 3.269 -8.708 12.203 1.00 0.00 O ATOM 1412 CB ASP A 91 3.555 -12.021 12.218 1.00 0.00 C ATOM 1413 CG ASP A 91 4.299 -11.597 13.489 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.108 -10.471 13.915 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.043 -12.411 14.014 1.00 0.00 O ATOM 0 H ASP A 91 1.975 -12.357 10.333 1.00 0.00 H new ATOM 0 HA ASP A 91 1.858 -10.770 12.688 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.060 -12.979 12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.262 -12.160 11.401 1.00 0.00 H new ATOM 1420 N ARG A 92 3.830 -9.648 10.295 1.00 0.00 N ATOM 1421 CA ARG A 92 4.564 -8.444 9.823 1.00 0.00 C ATOM 1422 C ARG A 92 3.576 -7.295 9.604 1.00 0.00 C ATOM 1423 O ARG A 92 3.876 -6.150 9.870 1.00 0.00 O ATOM 1424 CB ARG A 92 5.262 -8.772 8.494 1.00 0.00 C ATOM 1425 CG ARG A 92 6.427 -9.731 8.753 1.00 0.00 C ATOM 1426 CD ARG A 92 7.056 -10.160 7.421 1.00 0.00 C ATOM 1427 NE ARG A 92 7.640 -8.967 6.743 1.00 0.00 N ATOM 1428 CZ ARG A 92 8.113 -9.058 5.525 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.088 -10.196 4.879 1.00 0.00 N ATOM 1430 NH2 ARG A 92 8.616 -8.002 4.951 1.00 0.00 N ATOM 0 H ARG A 92 3.831 -10.431 9.641 1.00 0.00 H new ATOM 0 HA ARG A 92 5.303 -8.150 10.568 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.553 -9.223 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.627 -7.857 8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.176 -9.246 9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.074 -10.607 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.829 -10.908 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.303 -10.623 6.783 1.00 0.00 H new ATOM 0 HE ARG A 92 7.671 -8.072 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.697 -11.026 5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.460 -10.252 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.639 -7.113 5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.986 -8.065 4.003 1.00 0.00 H new ATOM 1444 N PHE A 93 2.409 -7.601 9.104 1.00 0.00 N ATOM 1445 CA PHE A 93 1.391 -6.545 8.841 1.00 0.00 C ATOM 1446 C PHE A 93 1.003 -5.861 10.151 1.00 0.00 C ATOM 1447 O PHE A 93 0.933 -4.653 10.233 1.00 0.00 O ATOM 1448 CB PHE A 93 0.143 -7.183 8.218 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.864 -6.102 7.910 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -1.792 -5.713 8.882 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.867 -5.487 6.652 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -2.723 -4.707 8.599 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.799 -4.481 6.370 1.00 0.00 C ATOM 1454 CZ PHE A 93 -2.726 -4.091 7.342 1.00 0.00 C ATOM 0 H PHE A 93 2.115 -8.548 8.864 1.00 0.00 H new ATOM 0 HA PHE A 93 1.810 -5.807 8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.410 -7.719 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.287 -7.914 8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.790 -6.189 9.851 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.152 -5.788 5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.439 -4.406 9.350 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.802 -4.005 5.400 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.444 -3.315 7.123 1.00 0.00 H new ATOM 1464 N MET A 94 0.742 -6.635 11.172 1.00 0.00 N ATOM 1465 CA MET A 94 0.350 -6.052 12.486 1.00 0.00 C ATOM 1466 C MET A 94 1.498 -5.204 13.027 1.00 0.00 C ATOM 1467 O MET A 94 1.297 -4.111 13.514 1.00 0.00 O ATOM 1468 CB MET A 94 0.050 -7.190 13.474 1.00 0.00 C ATOM 1469 CG MET A 94 -1.139 -8.016 12.973 1.00 0.00 C ATOM 1470 SD MET A 94 -2.626 -6.980 12.951 1.00 0.00 S ATOM 1471 CE MET A 94 -2.782 -6.758 14.741 1.00 0.00 C ATOM 0 H MET A 94 0.784 -7.654 11.150 1.00 0.00 H new ATOM 0 HA MET A 94 -0.536 -5.429 12.361 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.927 -7.828 13.584 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.171 -6.779 14.459 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.934 -8.399 11.973 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.294 -8.880 13.619 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.829 -6.600 14.998 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.413 -7.648 15.251 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.197 -5.892 15.053 1.00 0.00 H new ATOM 1481 N ARG A 95 2.698 -5.710 12.936 1.00 0.00 N ATOM 1482 CA ARG A 95 3.881 -4.952 13.429 1.00 0.00 C ATOM 1483 C ARG A 95 4.092 -3.713 12.560 1.00 0.00 C ATOM 1484 O ARG A 95 4.389 -2.643 13.049 1.00 0.00 O ATOM 1485 CB ARG A 95 5.124 -5.848 13.348 1.00 0.00 C ATOM 1486 CG ARG A 95 5.039 -6.936 14.423 1.00 0.00 C ATOM 1487 CD ARG A 95 6.223 -7.897 14.285 1.00 0.00 C ATOM 1488 NE ARG A 95 7.497 -7.157 14.524 1.00 0.00 N ATOM 1489 CZ ARG A 95 7.977 -7.019 15.736 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.347 -7.523 16.768 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.095 -6.373 15.915 1.00 0.00 N ATOM 0 H ARG A 95 2.910 -6.625 12.537 1.00 0.00 H new ATOM 0 HA ARG A 95 3.714 -4.646 14.462 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.194 -6.303 12.360 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.025 -5.252 13.489 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.041 -6.482 15.414 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.102 -7.483 14.326 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.126 -8.715 14.999 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.230 -8.342 13.290 1.00 0.00 H new ATOM 0 HE ARG A 95 8.001 -6.753 13.734 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.472 -8.030 16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.731 -7.409 17.706 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.590 -5.979 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.475 -6.262 16.855 1.00 0.00 H new ATOM 1505 N PHE A 96 3.942 -3.866 11.272 1.00 0.00 N ATOM 1506 CA PHE A 96 4.127 -2.719 10.341 1.00 0.00 C ATOM 1507 C PHE A 96 3.068 -1.659 10.623 1.00 0.00 C ATOM 1508 O PHE A 96 3.351 -0.481 10.669 1.00 0.00 O ATOM 1509 CB PHE A 96 3.983 -3.202 8.893 1.00 0.00 C ATOM 1510 CG PHE A 96 4.105 -2.020 7.953 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.348 -1.402 7.766 1.00 0.00 C ATOM 1512 CD2 PHE A 96 2.977 -1.542 7.275 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.462 -0.310 6.900 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.092 -0.449 6.409 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.335 0.167 6.222 1.00 0.00 C ATOM 0 H PHE A 96 3.696 -4.748 10.821 1.00 0.00 H new ATOM 0 HA PHE A 96 5.120 -2.294 10.487 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.751 -3.941 8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.019 -3.692 8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.218 -1.769 8.290 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.018 -2.017 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.421 0.165 6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.222 -0.081 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.424 1.011 5.554 1.00 0.00 H new ATOM 1525 N MET A 97 1.843 -2.080 10.791 1.00 0.00 N ATOM 1526 CA MET A 97 0.735 -1.122 11.051 1.00 0.00 C ATOM 1527 C MET A 97 0.998 -0.382 12.360 1.00 0.00 C ATOM 1528 O MET A 97 0.783 0.807 12.466 1.00 0.00 O ATOM 1529 CB MET A 97 -0.586 -1.896 11.162 1.00 0.00 C ATOM 1530 CG MET A 97 -1.737 -0.913 11.381 1.00 0.00 C ATOM 1531 SD MET A 97 -3.316 -1.807 11.361 1.00 0.00 S ATOM 1532 CE MET A 97 -4.209 -0.680 10.262 1.00 0.00 C ATOM 0 H MET A 97 1.562 -3.060 10.758 1.00 0.00 H new ATOM 0 HA MET A 97 0.674 -0.404 10.233 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.757 -2.476 10.255 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.536 -2.604 11.989 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.612 -0.398 12.333 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.730 -0.150 10.602 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.148 -1.140 9.954 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.416 0.252 10.787 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.601 -0.473 9.381 1.00 0.00 H new ATOM 1542 N GLU A 98 1.456 -1.091 13.355 1.00 0.00 N ATOM 1543 CA GLU A 98 1.739 -0.458 14.673 1.00 0.00 C ATOM 1544 C GLU A 98 2.913 0.508 14.529 1.00 0.00 C ATOM 1545 O GLU A 98 2.871 1.627 14.995 1.00 0.00 O ATOM 1546 CB GLU A 98 2.106 -1.552 15.688 1.00 0.00 C ATOM 1547 CG GLU A 98 2.074 -0.979 17.110 1.00 0.00 C ATOM 1548 CD GLU A 98 3.276 -0.055 17.327 1.00 0.00 C ATOM 1549 OE1 GLU A 98 4.317 -0.320 16.750 1.00 0.00 O ATOM 1550 OE2 GLU A 98 3.132 0.901 18.070 1.00 0.00 O ATOM 0 H GLU A 98 1.648 -2.092 13.310 1.00 0.00 H new ATOM 0 HA GLU A 98 0.859 0.085 15.016 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.407 -2.385 15.607 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.098 -1.946 15.468 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.147 -0.428 17.268 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.091 -1.790 17.839 1.00 0.00 H new ATOM 1557 N ARG A 99 3.962 0.067 13.891 1.00 0.00 N ATOM 1558 CA ARG A 99 5.156 0.931 13.709 1.00 0.00 C ATOM 1559 C ARG A 99 4.806 2.107 12.793 1.00 0.00 C ATOM 1560 O ARG A 99 5.172 3.235 13.050 1.00 0.00 O ATOM 1561 CB ARG A 99 6.280 0.105 13.063 1.00 0.00 C ATOM 1562 CG ARG A 99 7.592 0.916 13.056 1.00 0.00 C ATOM 1563 CD ARG A 99 8.316 0.724 14.394 1.00 0.00 C ATOM 1564 NE ARG A 99 9.591 1.490 14.385 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.609 2.766 14.681 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.508 3.398 15.002 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.742 3.412 14.666 1.00 0.00 N ATOM 0 H ARG A 99 4.041 -0.865 13.485 1.00 0.00 H new ATOM 0 HA ARG A 99 5.482 1.311 14.677 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.421 -0.826 13.613 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.004 -0.165 12.044 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.230 0.590 12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.379 1.973 12.894 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.682 1.062 15.214 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.517 -0.334 14.562 1.00 0.00 H new ATOM 0 HE ARG A 99 10.462 1.016 14.145 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.620 2.897 15.024 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.538 4.392 15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.604 2.924 14.425 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.766 4.406 14.895 1.00 0.00 H new ATOM 1581 N TYR A 100 4.116 1.832 11.721 1.00 0.00 N ATOM 1582 CA TYR A 100 3.737 2.903 10.758 1.00 0.00 C ATOM 1583 C TYR A 100 2.819 3.911 11.449 1.00 0.00 C ATOM 1584 O TYR A 100 2.987 5.106 11.323 1.00 0.00 O ATOM 1585 CB TYR A 100 3.000 2.275 9.568 1.00 0.00 C ATOM 1586 CG TYR A 100 2.535 3.368 8.634 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.467 4.058 7.852 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.175 3.689 8.547 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.041 5.072 6.986 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.750 4.702 7.683 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.683 5.393 6.900 1.00 0.00 C ATOM 1592 OH TYR A 100 1.263 6.392 6.045 1.00 0.00 O ATOM 0 H TYR A 100 3.794 0.898 11.468 1.00 0.00 H new ATOM 0 HA TYR A 100 4.635 3.412 10.407 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.659 1.586 9.040 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.147 1.694 9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.516 3.808 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.454 3.154 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.761 5.606 6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.299 4.952 7.619 1.00 0.00 H new ATOM 0 HH TYR A 100 0.292 6.332 5.924 1.00 0.00 H new ATOM 1602 N GLY A 101 1.844 3.426 12.168 1.00 0.00 N ATOM 1603 CA GLY A 101 0.890 4.327 12.873 1.00 0.00 C ATOM 1604 C GLY A 101 1.636 5.120 13.944 1.00 0.00 C ATOM 1605 O GLY A 101 1.319 6.258 14.222 1.00 0.00 O ATOM 0 H GLY A 101 1.666 2.430 12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.422 5.007 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.090 3.743 13.329 1.00 0.00 H new ATOM 1609 N ALA A 102 2.617 4.510 14.554 1.00 0.00 N ATOM 1610 CA ALA A 102 3.397 5.195 15.624 1.00 0.00 C ATOM 1611 C ALA A 102 4.105 6.413 15.033 1.00 0.00 C ATOM 1612 O ALA A 102 4.196 7.450 15.656 1.00 0.00 O ATOM 1613 CB ALA A 102 4.445 4.224 16.183 1.00 0.00 C ATOM 0 H ALA A 102 2.914 3.555 14.354 1.00 0.00 H new ATOM 0 HA ALA A 102 2.725 5.513 16.421 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.019 4.719 16.966 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.945 3.349 16.598 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.117 3.913 15.383 1.00 0.00 H new ATOM 1619 N GLU A 103 4.610 6.282 13.834 1.00 0.00 N ATOM 1620 CA GLU A 103 5.322 7.413 13.174 1.00 0.00 C ATOM 1621 C GLU A 103 4.320 8.509 12.820 1.00 0.00 C ATOM 1622 O GLU A 103 4.614 9.683 12.910 1.00 0.00 O ATOM 1623 CB GLU A 103 5.999 6.913 11.890 1.00 0.00 C ATOM 1624 CG GLU A 103 7.153 5.972 12.259 1.00 0.00 C ATOM 1625 CD GLU A 103 7.808 5.414 10.990 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.340 5.733 9.909 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.768 4.675 11.125 1.00 0.00 O ATOM 0 H GLU A 103 4.558 5.428 13.278 1.00 0.00 H new ATOM 0 HA GLU A 103 6.075 7.811 13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.276 6.392 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.374 7.757 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.893 6.508 12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.781 5.153 12.875 1.00 0.00 H new ATOM 1634 N ASN A 104 3.137 8.129 12.416 1.00 0.00 N ATOM 1635 CA ASN A 104 2.098 9.135 12.050 1.00 0.00 C ATOM 1636 C ASN A 104 0.702 8.554 12.296 1.00 0.00 C ATOM 1637 O ASN A 104 0.125 7.900 11.449 1.00 0.00 O ATOM 1638 CB ASN A 104 2.255 9.521 10.577 1.00 0.00 C ATOM 1639 CG ASN A 104 2.102 8.284 9.685 1.00 0.00 C ATOM 1640 OD1 ASN A 104 2.065 7.170 10.168 1.00 0.00 O ATOM 1641 ND2 ASN A 104 2.012 8.440 8.392 1.00 0.00 N ATOM 0 H ASN A 104 2.844 7.156 12.323 1.00 0.00 H new ATOM 0 HA ASN A 104 2.223 10.025 12.667 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.507 10.267 10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.232 9.976 10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.910 7.626 7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.043 9.376 7.988 1.00 0.00 H new ATOM 1648 N GLY A 105 0.171 8.794 13.465 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.182 8.275 13.823 1.00 0.00 C ATOM 1650 C GLY A 105 -2.243 8.901 12.922 1.00 0.00 C ATOM 1651 O GLY A 105 -2.690 10.008 13.142 1.00 0.00 O ATOM 0 H GLY A 105 0.625 9.337 14.199 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.202 7.190 13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.402 8.501 14.867 1.00 0.00 H new ATOM 1655 N LEU A 106 -2.634 8.184 11.904 1.00 0.00 N ATOM 1656 CA LEU A 106 -3.662 8.696 10.954 1.00 0.00 C ATOM 1657 C LEU A 106 -5.051 8.581 11.574 1.00 0.00 C ATOM 1658 O LEU A 106 -5.330 7.697 12.357 1.00 0.00 O ATOM 1659 CB LEU A 106 -3.608 7.877 9.660 1.00 0.00 C ATOM 1660 CG LEU A 106 -2.164 7.807 9.154 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -2.121 7.031 7.836 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -1.620 9.223 8.936 1.00 0.00 C ATOM 0 H LEU A 106 -2.280 7.252 11.688 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.458 9.744 10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.990 6.872 9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.247 8.332 8.903 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.548 7.298 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.093 6.981 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.499 6.021 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.741 7.537 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.593 9.167 8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.235 9.740 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.645 9.771 9.878 1.00 0.00 H new ATOM 1674 N GLY A 107 -5.915 9.490 11.218 1.00 0.00 N ATOM 1675 CA GLY A 107 -7.300 9.489 11.761 1.00 0.00 C ATOM 1676 C GLY A 107 -8.086 8.340 11.146 1.00 0.00 C ATOM 1677 O GLY A 107 -9.269 8.198 11.376 1.00 0.00 O ATOM 0 H GLY A 107 -5.715 10.246 10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.276 9.388 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.789 10.438 11.540 1.00 0.00 H new ATOM 1681 N PHE A 108 -7.437 7.524 10.359 1.00 0.00 N ATOM 1682 CA PHE A 108 -8.138 6.373 9.711 1.00 0.00 C ATOM 1683 C PHE A 108 -7.303 5.097 9.866 1.00 0.00 C ATOM 1684 O PHE A 108 -6.875 4.750 10.947 1.00 0.00 O ATOM 1685 CB PHE A 108 -8.325 6.671 8.222 1.00 0.00 C ATOM 1686 CG PHE A 108 -9.163 7.915 8.058 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -10.558 7.820 8.077 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -8.545 9.161 7.889 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -11.339 8.971 7.925 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -9.326 10.312 7.737 1.00 0.00 C ATOM 1691 CZ PHE A 108 -10.723 10.218 7.754 1.00 0.00 C ATOM 0 H PHE A 108 -6.445 7.604 10.135 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.107 6.229 10.188 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.355 6.807 7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.808 5.827 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.032 6.859 8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.467 9.233 7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -12.416 8.898 7.939 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.851 11.273 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 108 -11.326 11.106 7.635 1.00 0.00 H new ATOM 1701 N SER A 109 -7.086 4.403 8.779 1.00 0.00 N ATOM 1702 CA SER A 109 -6.301 3.137 8.804 1.00 0.00 C ATOM 1703 C SER A 109 -7.109 2.049 9.505 1.00 0.00 C ATOM 1704 O SER A 109 -7.428 1.032 8.925 1.00 0.00 O ATOM 1705 CB SER A 109 -4.987 3.349 9.556 1.00 0.00 C ATOM 1706 OG SER A 109 -5.194 3.115 10.942 1.00 0.00 O ATOM 0 H SER A 109 -7.429 4.669 7.856 1.00 0.00 H new ATOM 0 HA SER A 109 -6.085 2.835 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.222 2.674 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.624 4.365 9.397 1.00 0.00 H new ATOM 0 HG SER A 109 -5.606 3.906 11.349 1.00 0.00 H new ATOM 1712 N LYS A 110 -7.441 2.263 10.749 1.00 0.00 N ATOM 1713 CA LYS A 110 -8.232 1.255 11.521 1.00 0.00 C ATOM 1714 C LYS A 110 -9.448 1.941 12.149 1.00 0.00 C ATOM 1715 O LYS A 110 -10.521 1.380 12.215 1.00 0.00 O ATOM 1716 CB LYS A 110 -7.350 0.665 12.625 1.00 0.00 C ATOM 1717 CG LYS A 110 -6.946 1.755 13.628 1.00 0.00 C ATOM 1718 CD LYS A 110 -5.820 1.232 14.529 1.00 0.00 C ATOM 1719 CE LYS A 110 -6.356 0.127 15.443 1.00 0.00 C ATOM 1720 NZ LYS A 110 -5.369 -0.149 16.521 1.00 0.00 N ATOM 0 H LYS A 110 -7.196 3.104 11.272 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.567 0.459 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.886 -0.132 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.458 0.217 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.616 2.648 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.806 2.044 14.233 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.003 0.847 13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.414 2.047 15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.309 0.430 15.877 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.542 -0.779 14.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.734 -0.900 17.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.470 -0.456 16.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.213 0.715 17.078 1.00 0.00 H new ATOM 1734 N SER A 111 -9.276 3.151 12.611 1.00 0.00 N ATOM 1735 CA SER A 111 -10.402 3.896 13.246 1.00 0.00 C ATOM 1736 C SER A 111 -11.390 4.371 12.186 1.00 0.00 C ATOM 1737 O SER A 111 -11.085 4.411 11.017 1.00 0.00 O ATOM 1738 CB SER A 111 -9.843 5.106 14.003 1.00 0.00 C ATOM 1739 OG SER A 111 -9.314 6.050 13.079 1.00 0.00 O ATOM 0 H SER A 111 -8.393 3.660 12.575 1.00 0.00 H new ATOM 0 HA SER A 111 -10.922 3.233 13.937 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.629 5.569 14.599 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.065 4.786 14.695 1.00 0.00 H new ATOM 0 HG SER A 111 -9.997 6.721 12.870 1.00 0.00 H new ATOM 1745 N GLU A 112 -12.571 4.735 12.617 1.00 0.00 N ATOM 1746 CA GLU A 112 -13.627 5.224 11.687 1.00 0.00 C ATOM 1747 C GLU A 112 -14.086 4.078 10.783 1.00 0.00 C ATOM 1748 O GLU A 112 -15.250 3.735 10.746 1.00 0.00 O ATOM 1749 CB GLU A 112 -13.079 6.367 10.829 1.00 0.00 C ATOM 1750 CG GLU A 112 -14.241 7.137 10.193 1.00 0.00 C ATOM 1751 CD GLU A 112 -14.971 7.946 11.269 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -14.507 7.953 12.397 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -15.980 8.548 10.942 1.00 0.00 O ATOM 0 H GLU A 112 -12.851 4.712 13.598 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.474 5.589 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.477 7.038 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.424 5.971 10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.867 7.802 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.932 6.443 9.714 1.00 0.00 H new ATOM 1760 N LEU A 113 -13.178 3.498 10.044 1.00 0.00 N ATOM 1761 CA LEU A 113 -13.544 2.384 9.125 1.00 0.00 C ATOM 1762 C LEU A 113 -14.061 1.196 9.929 1.00 0.00 C ATOM 1763 O LEU A 113 -15.030 0.565 9.559 1.00 0.00 O ATOM 1764 CB LEU A 113 -12.302 1.946 8.333 1.00 0.00 C ATOM 1765 CG LEU A 113 -11.890 3.050 7.348 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -10.511 2.723 6.769 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -12.916 3.146 6.202 1.00 0.00 C ATOM 0 H LEU A 113 -12.190 3.752 10.039 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.321 2.728 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.481 1.733 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.513 1.024 7.791 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.854 4.004 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.215 3.505 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.782 2.665 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.553 1.767 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -12.615 3.932 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.961 2.194 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.898 3.381 6.612 1.00 0.00 H new ATOM 1779 N GLU A 114 -13.412 0.885 11.018 1.00 0.00 N ATOM 1780 CA GLU A 114 -13.843 -0.270 11.856 1.00 0.00 C ATOM 1781 C GLU A 114 -14.962 0.150 12.806 1.00 0.00 C ATOM 1782 O GLU A 114 -15.169 1.317 13.071 1.00 0.00 O ATOM 1783 CB GLU A 114 -12.654 -0.785 12.673 1.00 0.00 C ATOM 1784 CG GLU A 114 -11.581 -1.330 11.728 1.00 0.00 C ATOM 1785 CD GLU A 114 -12.111 -2.571 11.005 1.00 0.00 C ATOM 1786 OE1 GLU A 114 -13.061 -3.157 11.494 1.00 0.00 O ATOM 1787 OE2 GLU A 114 -11.558 -2.911 9.973 1.00 0.00 O ATOM 0 H GLU A 114 -12.595 1.386 11.366 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.211 -1.059 11.200 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.242 0.020 13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.982 -1.567 13.358 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.300 -0.567 11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.682 -1.581 12.290 1.00 0.00 H new ATOM 1794 N HIS A 115 -15.683 -0.815 13.308 1.00 0.00 N ATOM 1795 CA HIS A 115 -16.812 -0.528 14.237 1.00 0.00 C ATOM 1796 C HIS A 115 -16.282 0.058 15.543 1.00 0.00 C ATOM 1797 O HIS A 115 -15.382 -0.475 16.159 1.00 0.00 O ATOM 1798 CB HIS A 115 -17.572 -1.826 14.530 1.00 0.00 C ATOM 1799 CG HIS A 115 -18.379 -2.226 13.323 1.00 0.00 C ATOM 1800 ND1 HIS A 115 -17.846 -2.979 12.286 1.00 0.00 N ATOM 1801 CD2 HIS A 115 -19.685 -1.986 12.977 1.00 0.00 C ATOM 1802 CE1 HIS A 115 -18.821 -3.165 11.378 1.00 0.00 C ATOM 1803 NE2 HIS A 115 -19.963 -2.581 11.750 1.00 0.00 N ATOM 0 H HIS A 115 -15.535 -1.805 13.110 1.00 0.00 H new ATOM 0 HA HIS A 115 -17.483 0.194 13.771 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -16.870 -2.619 14.789 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -18.229 -1.688 15.389 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.391 -1.421 13.568 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -18.695 -3.719 10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -20.848 -2.573 11.244 1.00 0.00 H new ATOM 1811 N HIS A 116 -16.846 1.163 15.954 1.00 0.00 N ATOM 1812 CA HIS A 116 -16.402 1.829 17.214 1.00 0.00 C ATOM 1813 C HIS A 116 -17.172 1.271 18.407 1.00 0.00 C ATOM 1814 O HIS A 116 -18.386 1.302 18.453 1.00 0.00 O ATOM 1815 CB HIS A 116 -16.642 3.339 17.106 1.00 0.00 C ATOM 1816 CG HIS A 116 -16.166 4.017 18.364 1.00 0.00 C ATOM 1817 ND1 HIS A 116 -14.822 4.214 18.633 1.00 0.00 N ATOM 1818 CD2 HIS A 116 -16.844 4.550 19.434 1.00 0.00 C ATOM 1819 CE1 HIS A 116 -14.733 4.842 19.819 1.00 0.00 C ATOM 1820 NE2 HIS A 116 -15.937 5.072 20.349 1.00 0.00 N ATOM 0 H HIS A 116 -17.604 1.638 15.464 1.00 0.00 H new ATOM 0 HA HIS A 116 -15.339 1.637 17.361 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -16.113 3.741 16.242 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -17.702 3.539 16.952 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -17.918 4.562 19.547 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -13.801 5.126 20.286 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -16.146 5.532 21.235 1.00 0.00 H new ATOM 1828 N HIS A 117 -16.452 0.756 19.372 1.00 0.00 N ATOM 1829 CA HIS A 117 -17.091 0.175 20.595 1.00 0.00 C ATOM 1830 C HIS A 117 -16.747 1.021 21.822 1.00 0.00 C ATOM 1831 O HIS A 117 -15.613 1.400 22.043 1.00 0.00 O ATOM 1832 CB HIS A 117 -16.587 -1.255 20.801 1.00 0.00 C ATOM 1833 CG HIS A 117 -17.040 -2.118 19.654 1.00 0.00 C ATOM 1834 ND1 HIS A 117 -18.363 -2.503 19.498 1.00 0.00 N ATOM 1835 CD2 HIS A 117 -16.359 -2.677 18.601 1.00 0.00 C ATOM 1836 CE1 HIS A 117 -18.436 -3.261 18.388 1.00 0.00 C ATOM 1837 NE2 HIS A 117 -17.244 -3.398 17.802 1.00 0.00 N ATOM 0 H HIS A 117 -15.433 0.713 19.365 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.173 0.168 20.463 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -15.499 -1.262 20.868 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -16.967 -1.654 21.742 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -15.299 -2.574 18.420 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -19.348 -3.705 18.016 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -17.028 -3.919 16.952 1.00 0.00 H new ATOM 1845 N HIS A 118 -17.741 1.320 22.616 1.00 0.00 N ATOM 1846 CA HIS A 118 -17.523 2.145 23.837 1.00 0.00 C ATOM 1847 C HIS A 118 -16.766 1.340 24.891 1.00 0.00 C ATOM 1848 O HIS A 118 -17.060 0.189 25.148 1.00 0.00 O ATOM 1849 CB HIS A 118 -18.879 2.608 24.394 1.00 0.00 C ATOM 1850 CG HIS A 118 -19.629 1.446 24.991 1.00 0.00 C ATOM 1851 ND1 HIS A 118 -19.874 1.345 26.353 1.00 0.00 N ATOM 1852 CD2 HIS A 118 -20.204 0.335 24.425 1.00 0.00 C ATOM 1853 CE1 HIS A 118 -20.568 0.209 26.558 1.00 0.00 C ATOM 1854 NE2 HIS A 118 -20.796 -0.445 25.415 1.00 0.00 N ATOM 0 H HIS A 118 -18.706 1.023 22.467 1.00 0.00 H new ATOM 0 HA HIS A 118 -16.926 3.019 23.576 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -18.724 3.376 25.152 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -19.471 3.060 23.598 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -20.198 0.101 23.371 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -20.900 -0.132 27.528 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -21.296 -1.326 25.294 1.00 0.00 H new ATOM 1862 N HIS A 119 -15.783 1.954 25.487 1.00 0.00 N ATOM 1863 CA HIS A 119 -14.966 1.267 26.523 1.00 0.00 C ATOM 1864 C HIS A 119 -15.769 1.117 27.810 1.00 0.00 C ATOM 1865 O HIS A 119 -16.605 1.933 28.137 1.00 0.00 O ATOM 1866 CB HIS A 119 -13.694 2.081 26.795 1.00 0.00 C ATOM 1867 CG HIS A 119 -12.758 1.279 27.660 1.00 0.00 C ATOM 1868 ND1 HIS A 119 -12.645 1.494 29.025 1.00 0.00 N ATOM 1869 CD2 HIS A 119 -11.883 0.260 27.368 1.00 0.00 C ATOM 1870 CE1 HIS A 119 -11.731 0.626 29.498 1.00 0.00 C ATOM 1871 NE2 HIS A 119 -11.236 -0.149 28.531 1.00 0.00 N ATOM 0 H HIS A 119 -15.508 2.917 25.297 1.00 0.00 H new ATOM 0 HA HIS A 119 -14.692 0.276 26.162 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -13.206 2.338 25.855 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -13.949 3.019 27.289 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.722 -0.160 26.386 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -11.434 0.564 30.535 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -10.534 -0.883 28.624 1.00 0.00 H new ATOM 1879 N HIS A 120 -15.505 0.063 28.529 1.00 0.00 N ATOM 1880 CA HIS A 120 -16.218 -0.204 29.806 1.00 0.00 C ATOM 1881 C HIS A 120 -17.714 0.072 29.640 1.00 0.00 C ATOM 1882 O HIS A 120 -18.204 -0.077 28.534 1.00 0.00 O ATOM 1883 CB HIS A 120 -15.631 0.678 30.914 1.00 0.00 C ATOM 1884 CG HIS A 120 -15.979 2.119 30.664 1.00 0.00 C ATOM 1885 ND1 HIS A 120 -15.219 2.935 29.836 1.00 0.00 N ATOM 1886 CD2 HIS A 120 -17.002 2.907 31.130 1.00 0.00 C ATOM 1887 CE1 HIS A 120 -15.794 4.152 29.831 1.00 0.00 C ATOM 1888 NE2 HIS A 120 -16.883 4.189 30.602 1.00 0.00 N ATOM 1889 OXT HIS A 120 -18.347 0.416 30.628 1.00 0.00 O ATOM 0 H HIS A 120 -14.809 -0.639 28.278 1.00 0.00 H new ATOM 0 HA HIS A 120 -16.089 -1.251 30.080 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -16.019 0.365 31.883 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.548 0.558 30.950 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -14.379 2.662 29.325 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -17.781 2.581 31.804 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -15.420 4.996 29.271 1.00 0.00 H new TER 1897 HIS A 120