USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 889 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: B 106 GLN :FLIP amide:sc= -0.397 F(o=-1.3,f=-0.37) USER MOD Set 1.2: B 110 TYR OH : rot 180:sc= 0.0286 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.24 (180deg=0.837!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0705) USER MOD Single : A 13 TYR OH : rot 150:sc= -0.451 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.185 F(o=-3.1!,f=-0.19) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.3!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.65 F(o=-2.2!,f=-0.65) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.473 F(o=-1.1,f=-0.47) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -0.0129 (180deg=-0.129) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0418 (180deg=-0.284) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0103 F(o=-0.98,f=-0.01) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0175 (180deg=-0.193) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0649 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -0.58 K(o=-0.58,f=-2.3!) USER MOD Single : B 111 LYS NZ :NH3+ -173:sc=-0.00686 (180deg=-0.0951) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 115 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6.4!) USER MOD Single : B 123 LYS NZ :NH3+ -168:sc= 1.33 (180deg=0.833) USER MOD Single : B 130 SER OG : rot 180:sc= 0 USER MOD Single : B 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.339 -2.020 9.093 1.00 0.00 N ATOM 2 CA MET A 1 25.230 -3.428 8.645 1.00 0.00 C ATOM 3 C MET A 1 26.327 -3.790 7.649 1.00 0.00 C ATOM 4 O MET A 1 26.757 -4.944 7.590 1.00 0.00 O ATOM 5 CB MET A 1 23.862 -3.690 8.008 1.00 0.00 C ATOM 6 CG MET A 1 22.715 -3.755 9.003 1.00 0.00 C ATOM 7 SD MET A 1 22.458 -2.209 9.893 1.00 0.00 S ATOM 8 CE MET A 1 21.051 -2.650 10.906 1.00 0.00 C ATOM 0 H1 MET A 1 24.436 -1.718 9.512 1.00 0.00 H new ATOM 0 H2 MET A 1 26.095 -1.939 9.803 1.00 0.00 H new ATOM 0 H3 MET A 1 25.562 -1.413 8.279 1.00 0.00 H new ATOM 0 HA MET A 1 25.346 -4.054 9.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.655 -2.904 7.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.904 -4.629 7.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.799 -4.019 8.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.910 -4.552 9.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.764 -1.797 11.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.216 -2.933 10.265 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.315 -3.489 11.550 1.00 0.00 H new ATOM 20 N ASP A 2 26.776 -2.822 6.858 1.00 0.00 N ATOM 21 CA ASP A 2 27.791 -3.093 5.844 1.00 0.00 C ATOM 22 C ASP A 2 29.146 -2.518 6.252 1.00 0.00 C ATOM 23 O ASP A 2 29.226 -1.572 7.040 1.00 0.00 O ATOM 24 CB ASP A 2 27.363 -2.517 4.494 1.00 0.00 C ATOM 25 CG ASP A 2 28.257 -2.980 3.362 1.00 0.00 C ATOM 26 OD1 ASP A 2 29.141 -2.208 2.935 1.00 0.00 O ATOM 27 OD2 ASP A 2 28.093 -4.131 2.905 1.00 0.00 O ATOM 0 H ASP A 2 26.459 -1.853 6.897 1.00 0.00 H new ATOM 0 HA ASP A 2 27.892 -4.174 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.334 -2.812 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.379 -1.428 4.545 1.00 0.00 H new ATOM 32 N SER A 3 30.206 -3.106 5.709 1.00 0.00 N ATOM 33 CA SER A 3 31.569 -2.733 6.055 1.00 0.00 C ATOM 34 C SER A 3 32.033 -1.504 5.271 1.00 0.00 C ATOM 35 O SER A 3 32.855 -0.729 5.756 1.00 0.00 O ATOM 36 CB SER A 3 32.512 -3.911 5.788 1.00 0.00 C ATOM 37 OG SER A 3 33.847 -3.605 6.157 1.00 0.00 O ATOM 0 H SER A 3 30.143 -3.853 5.018 1.00 0.00 H new ATOM 0 HA SER A 3 31.590 -2.479 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.171 -4.784 6.344 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.477 -4.173 4.731 1.00 0.00 H new ATOM 0 HG SER A 3 34.422 -4.378 5.975 1.00 0.00 H new ATOM 43 N ALA A 4 31.509 -1.327 4.065 1.00 0.00 N ATOM 44 CA ALA A 4 31.904 -0.200 3.230 1.00 0.00 C ATOM 45 C ALA A 4 30.854 0.895 3.279 1.00 0.00 C ATOM 46 O ALA A 4 31.174 2.072 3.476 1.00 0.00 O ATOM 47 CB ALA A 4 32.132 -0.646 1.796 1.00 0.00 C ATOM 0 H ALA A 4 30.814 -1.945 3.645 1.00 0.00 H new ATOM 0 HA ALA A 4 32.841 0.198 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 4 32.426 0.211 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 4 32.922 -1.397 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 4 31.212 -1.073 1.397 1.00 0.00 H new ATOM 53 N ILE A 5 29.600 0.499 3.107 1.00 0.00 N ATOM 54 CA ILE A 5 28.492 1.437 3.166 1.00 0.00 C ATOM 55 C ILE A 5 28.356 1.966 4.587 1.00 0.00 C ATOM 56 O ILE A 5 27.993 1.229 5.507 1.00 0.00 O ATOM 57 CB ILE A 5 27.166 0.781 2.724 1.00 0.00 C ATOM 58 CG1 ILE A 5 27.333 0.113 1.356 1.00 0.00 C ATOM 59 CG2 ILE A 5 26.056 1.820 2.672 1.00 0.00 C ATOM 60 CD1 ILE A 5 26.128 -0.696 0.920 1.00 0.00 C ATOM 0 H ILE A 5 29.327 -0.467 2.925 1.00 0.00 H new ATOM 0 HA ILE A 5 28.702 2.256 2.479 1.00 0.00 H new ATOM 0 HB ILE A 5 26.895 0.017 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 5 27.533 0.881 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 5 28.206 -0.539 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.127 1.344 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 5 25.923 2.260 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.322 2.601 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 5 26.321 -1.138 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 5 25.939 -1.487 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 5 25.256 -0.045 0.858 1.00 0.00 H new ATOM 72 N SER A 6 28.669 3.238 4.765 1.00 0.00 N ATOM 73 CA SER A 6 28.701 3.832 6.085 1.00 0.00 C ATOM 74 C SER A 6 27.322 4.361 6.459 1.00 0.00 C ATOM 75 O SER A 6 26.385 4.256 5.663 1.00 0.00 O ATOM 76 CB SER A 6 29.745 4.949 6.113 1.00 0.00 C ATOM 77 OG SER A 6 30.991 4.479 5.622 1.00 0.00 O ATOM 0 H SER A 6 28.905 3.879 4.007 1.00 0.00 H new ATOM 0 HA SER A 6 28.978 3.076 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.403 5.789 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.865 5.317 7.132 1.00 0.00 H new ATOM 0 HG SER A 6 31.647 5.207 5.645 1.00 0.00 H new ATOM 83 N LYS A 7 27.187 4.939 7.648 1.00 0.00 N ATOM 84 CA LYS A 7 25.907 5.481 8.080 1.00 0.00 C ATOM 85 C LYS A 7 25.450 6.610 7.155 1.00 0.00 C ATOM 86 O LYS A 7 24.285 7.004 7.168 1.00 0.00 O ATOM 87 CB LYS A 7 25.980 5.961 9.529 1.00 0.00 C ATOM 88 CG LYS A 7 26.094 4.825 10.537 1.00 0.00 C ATOM 89 CD LYS A 7 25.812 5.305 11.952 1.00 0.00 C ATOM 90 CE LYS A 7 25.885 4.166 12.960 1.00 0.00 C ATOM 91 NZ LYS A 7 27.254 3.595 13.070 1.00 0.00 N ATOM 0 H LYS A 7 27.943 5.043 8.324 1.00 0.00 H new ATOM 0 HA LYS A 7 25.168 4.681 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 7 26.838 6.624 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.090 6.549 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 7 25.393 4.032 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 7 27.094 4.395 10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 7 26.531 6.078 12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.823 5.762 11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.565 4.528 13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 7 25.189 3.380 12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 27.281 2.907 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 27.505 3.120 12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 27.934 4.359 13.259 1.00 0.00 H new ATOM 105 N GLU A 8 26.376 7.115 6.349 1.00 0.00 N ATOM 106 CA GLU A 8 26.054 8.081 5.311 1.00 0.00 C ATOM 107 C GLU A 8 24.947 7.553 4.402 1.00 0.00 C ATOM 108 O GLU A 8 23.832 8.072 4.403 1.00 0.00 O ATOM 109 CB GLU A 8 27.304 8.391 4.489 1.00 0.00 C ATOM 110 CG GLU A 8 28.318 9.242 5.231 1.00 0.00 C ATOM 111 CD GLU A 8 27.749 10.582 5.649 1.00 0.00 C ATOM 112 OE1 GLU A 8 27.747 11.518 4.823 1.00 0.00 O ATOM 113 OE2 GLU A 8 27.289 10.706 6.804 1.00 0.00 O ATOM 0 H GLU A 8 27.364 6.867 6.397 1.00 0.00 H new ATOM 0 HA GLU A 8 25.698 8.995 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.775 7.454 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 27.010 8.905 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 8 28.663 8.705 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 8 29.189 9.402 4.595 1.00 0.00 H new ATOM 120 N ASP A 9 25.255 6.505 3.652 1.00 0.00 N ATOM 121 CA ASP A 9 24.294 5.920 2.721 1.00 0.00 C ATOM 122 C ASP A 9 23.311 5.016 3.453 1.00 0.00 C ATOM 123 O ASP A 9 22.106 5.050 3.196 1.00 0.00 O ATOM 124 CB ASP A 9 25.026 5.112 1.646 1.00 0.00 C ATOM 125 CG ASP A 9 24.088 4.505 0.618 1.00 0.00 C ATOM 126 OD1 ASP A 9 23.869 5.137 -0.435 1.00 0.00 O ATOM 127 OD2 ASP A 9 23.575 3.391 0.847 1.00 0.00 O ATOM 0 H ASP A 9 26.163 6.040 3.668 1.00 0.00 H new ATOM 0 HA ASP A 9 23.740 6.733 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.743 5.758 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 9 25.597 4.316 2.124 1.00 0.00 H new ATOM 132 N GLU A 10 23.838 4.230 4.380 1.00 0.00 N ATOM 133 CA GLU A 10 23.059 3.214 5.073 1.00 0.00 C ATOM 134 C GLU A 10 21.923 3.824 5.886 1.00 0.00 C ATOM 135 O GLU A 10 20.754 3.547 5.626 1.00 0.00 O ATOM 136 CB GLU A 10 23.983 2.392 5.967 1.00 0.00 C ATOM 137 CG GLU A 10 23.278 1.324 6.775 1.00 0.00 C ATOM 138 CD GLU A 10 24.260 0.442 7.509 1.00 0.00 C ATOM 139 OE1 GLU A 10 24.650 -0.611 6.960 1.00 0.00 O ATOM 140 OE2 GLU A 10 24.667 0.804 8.629 1.00 0.00 O ATOM 0 H GLU A 10 24.814 4.278 4.672 1.00 0.00 H new ATOM 0 HA GLU A 10 22.600 2.565 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.744 1.919 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.502 3.065 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.605 1.794 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.663 0.713 6.114 1.00 0.00 H new ATOM 147 N GLU A 11 22.260 4.651 6.866 1.00 0.00 N ATOM 148 CA GLU A 11 21.255 5.290 7.698 1.00 0.00 C ATOM 149 C GLU A 11 20.335 6.188 6.881 1.00 0.00 C ATOM 150 O GLU A 11 19.174 6.376 7.241 1.00 0.00 O ATOM 151 CB GLU A 11 21.915 6.083 8.814 1.00 0.00 C ATOM 152 CG GLU A 11 22.543 5.204 9.877 1.00 0.00 C ATOM 153 CD GLU A 11 21.511 4.493 10.729 1.00 0.00 C ATOM 154 OE1 GLU A 11 20.697 5.181 11.380 1.00 0.00 O ATOM 155 OE2 GLU A 11 21.514 3.245 10.763 1.00 0.00 O ATOM 0 H GLU A 11 23.222 4.894 7.103 1.00 0.00 H new ATOM 0 HA GLU A 11 20.643 4.503 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.681 6.731 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.172 6.731 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.186 4.465 9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.180 5.814 10.518 1.00 0.00 H new ATOM 162 N ARG A 12 20.844 6.739 5.782 1.00 0.00 N ATOM 163 CA ARG A 12 20.008 7.533 4.892 1.00 0.00 C ATOM 164 C ARG A 12 18.948 6.632 4.264 1.00 0.00 C ATOM 165 O ARG A 12 17.781 7.005 4.165 1.00 0.00 O ATOM 166 CB ARG A 12 20.856 8.211 3.810 1.00 0.00 C ATOM 167 CG ARG A 12 20.344 9.583 3.386 1.00 0.00 C ATOM 168 CD ARG A 12 19.044 9.501 2.602 1.00 0.00 C ATOM 169 NE ARG A 12 19.236 8.886 1.290 1.00 0.00 N ATOM 170 CZ ARG A 12 18.317 8.873 0.329 1.00 0.00 C ATOM 171 NH1 ARG A 12 17.120 9.414 0.533 1.00 0.00 N ATOM 172 NH2 ARG A 12 18.599 8.313 -0.839 1.00 0.00 N ATOM 0 H ARG A 12 21.818 6.651 5.491 1.00 0.00 H new ATOM 0 HA ARG A 12 19.517 8.319 5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.878 8.314 4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.894 7.563 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.193 10.201 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 12 21.101 10.078 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.314 8.924 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.632 10.502 2.477 1.00 0.00 H new ATOM 0 HE ARG A 12 20.132 8.438 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.901 9.843 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.421 9.400 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.516 7.896 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.899 8.300 -1.580 1.00 0.00 H new ATOM 186 N TYR A 13 19.360 5.431 3.865 1.00 0.00 N ATOM 187 CA TYR A 13 18.428 4.437 3.360 1.00 0.00 C ATOM 188 C TYR A 13 17.462 4.017 4.463 1.00 0.00 C ATOM 189 O TYR A 13 16.261 3.924 4.241 1.00 0.00 O ATOM 190 CB TYR A 13 19.183 3.216 2.817 1.00 0.00 C ATOM 191 CG TYR A 13 18.322 1.986 2.668 1.00 0.00 C ATOM 192 CD1 TYR A 13 18.613 0.827 3.373 1.00 0.00 C ATOM 193 CD2 TYR A 13 17.212 1.991 1.838 1.00 0.00 C ATOM 194 CE1 TYR A 13 17.818 -0.296 3.256 1.00 0.00 C ATOM 195 CE2 TYR A 13 16.412 0.874 1.713 1.00 0.00 C ATOM 196 CZ TYR A 13 16.718 -0.268 2.426 1.00 0.00 C ATOM 197 OH TYR A 13 15.917 -1.383 2.315 1.00 0.00 O ATOM 0 H TYR A 13 20.333 5.127 3.883 1.00 0.00 H new ATOM 0 HA TYR A 13 17.858 4.878 2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 13 19.612 3.467 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.014 2.988 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.475 0.803 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.969 2.883 1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.057 -1.191 3.812 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.551 0.893 1.061 1.00 0.00 H new ATOM 0 HH TYR A 13 14.997 -1.107 2.122 1.00 0.00 H new ATOM 207 N GLN A 14 18.000 3.774 5.648 1.00 0.00 N ATOM 208 CA GLN A 14 17.193 3.388 6.803 1.00 0.00 C ATOM 209 C GLN A 14 16.083 4.397 7.069 1.00 0.00 C ATOM 210 O GLN A 14 14.912 4.036 7.167 1.00 0.00 O ATOM 211 CB GLN A 14 18.075 3.260 8.040 1.00 0.00 C ATOM 212 CG GLN A 14 19.079 2.123 7.956 1.00 0.00 C ATOM 213 CD GLN A 14 18.491 0.758 8.288 1.00 0.00 C ATOM 214 OE1 GLN A 14 17.191 0.585 8.092 1.00 0.00 O flip ATOM 215 NE2 GLN A 14 19.203 -0.136 8.746 1.00 0.00 N flip ATOM 0 H GLN A 14 19.000 3.837 5.839 1.00 0.00 H new ATOM 0 HA GLN A 14 16.733 2.425 6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.611 4.197 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.441 3.110 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.497 2.093 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.904 2.328 8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 14 20.200 0.027 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.796 -1.040 8.986 1.00 0.00 H new ATOM 224 N LYS A 15 16.457 5.657 7.201 1.00 0.00 N ATOM 225 CA LYS A 15 15.482 6.721 7.372 1.00 0.00 C ATOM 226 C LYS A 15 14.532 6.791 6.178 1.00 0.00 C ATOM 227 O LYS A 15 13.358 7.125 6.329 1.00 0.00 O ATOM 228 CB LYS A 15 16.173 8.071 7.568 1.00 0.00 C ATOM 229 CG LYS A 15 17.008 8.162 8.838 1.00 0.00 C ATOM 230 CD LYS A 15 16.158 8.017 10.092 1.00 0.00 C ATOM 231 CE LYS A 15 15.131 9.132 10.209 1.00 0.00 C ATOM 232 NZ LYS A 15 14.324 9.017 11.452 1.00 0.00 N ATOM 0 H LYS A 15 17.428 5.969 7.193 1.00 0.00 H new ATOM 0 HA LYS A 15 14.901 6.493 8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.815 8.267 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.416 8.855 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.772 7.384 8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.528 9.119 8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.649 7.054 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.803 8.023 10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.639 10.096 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.469 9.108 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.636 9.796 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.818 8.108 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.952 9.066 12.279 1.00 0.00 H new ATOM 246 N LEU A 16 15.041 6.457 4.999 1.00 0.00 N ATOM 247 CA LEU A 16 14.238 6.465 3.784 1.00 0.00 C ATOM 248 C LEU A 16 13.132 5.423 3.860 1.00 0.00 C ATOM 249 O LEU A 16 11.979 5.712 3.546 1.00 0.00 O ATOM 250 CB LEU A 16 15.116 6.203 2.563 1.00 0.00 C ATOM 251 CG LEU A 16 14.482 6.535 1.215 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.926 7.952 1.226 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.513 6.366 0.117 1.00 0.00 C ATOM 0 H LEU A 16 16.011 6.176 4.859 1.00 0.00 H new ATOM 0 HA LEU A 16 13.781 7.450 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.034 6.782 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.402 5.151 2.561 1.00 0.00 H new ATOM 0 HG LEU A 16 13.653 5.852 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.477 8.174 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.169 8.040 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.733 8.658 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.061 6.603 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.352 7.038 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.869 5.336 0.107 1.00 0.00 H new ATOM 265 N VAL A 17 13.483 4.211 4.284 1.00 0.00 N ATOM 266 CA VAL A 17 12.485 3.163 4.458 1.00 0.00 C ATOM 267 C VAL A 17 11.493 3.599 5.512 1.00 0.00 C ATOM 268 O VAL A 17 10.304 3.347 5.395 1.00 0.00 O ATOM 269 CB VAL A 17 13.096 1.794 4.852 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.409 1.593 4.139 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.278 1.645 6.360 1.00 0.00 C ATOM 0 H VAL A 17 14.438 3.934 4.510 1.00 0.00 H new ATOM 0 HA VAL A 17 11.996 3.019 3.495 1.00 0.00 H new ATOM 0 HB VAL A 17 12.391 1.022 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.832 0.629 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.245 1.616 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.100 2.388 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.709 0.668 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.945 2.426 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.310 1.734 6.854 1.00 0.00 H new ATOM 281 N THR A 18 11.996 4.301 6.516 1.00 0.00 N ATOM 282 CA THR A 18 11.174 4.819 7.566 1.00 0.00 C ATOM 283 C THR A 18 10.120 5.755 6.985 1.00 0.00 C ATOM 284 O THR A 18 8.935 5.598 7.259 1.00 0.00 O ATOM 285 CB THR A 18 12.058 5.527 8.608 1.00 0.00 C ATOM 286 OG1 THR A 18 12.593 4.573 9.536 1.00 0.00 O ATOM 287 CG2 THR A 18 11.292 6.596 9.339 1.00 0.00 C ATOM 0 H THR A 18 12.987 4.520 6.614 1.00 0.00 H new ATOM 0 HA THR A 18 10.650 4.005 8.067 1.00 0.00 H new ATOM 0 HB THR A 18 12.882 6.008 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.155 5.035 10.193 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.944 7.077 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.934 7.339 8.626 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.442 6.147 9.853 1.00 0.00 H new ATOM 295 N GLU A 19 10.556 6.691 6.144 1.00 0.00 N ATOM 296 CA GLU A 19 9.641 7.597 5.456 1.00 0.00 C ATOM 297 C GLU A 19 8.626 6.810 4.643 1.00 0.00 C ATOM 298 O GLU A 19 7.433 7.109 4.657 1.00 0.00 O ATOM 299 CB GLU A 19 10.418 8.545 4.535 1.00 0.00 C ATOM 300 CG GLU A 19 11.410 9.422 5.281 1.00 0.00 C ATOM 301 CD GLU A 19 12.046 10.486 4.407 1.00 0.00 C ATOM 302 OE1 GLU A 19 11.335 11.430 4.000 1.00 0.00 O ATOM 303 OE2 GLU A 19 13.267 10.408 4.154 1.00 0.00 O ATOM 0 H GLU A 19 11.540 6.841 5.923 1.00 0.00 H new ATOM 0 HA GLU A 19 9.114 8.185 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.952 7.959 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.713 9.180 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.902 9.904 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.193 8.793 5.704 1.00 0.00 H new ATOM 310 N ASN A 20 9.122 5.779 3.979 1.00 0.00 N ATOM 311 CA ASN A 20 8.332 4.959 3.071 1.00 0.00 C ATOM 312 C ASN A 20 7.273 4.141 3.821 1.00 0.00 C ATOM 313 O ASN A 20 6.142 4.005 3.360 1.00 0.00 O ATOM 314 CB ASN A 20 9.289 4.040 2.311 1.00 0.00 C ATOM 315 CG ASN A 20 8.699 3.437 1.054 1.00 0.00 C ATOM 316 OD1 ASN A 20 7.777 3.983 0.454 1.00 0.00 O ATOM 317 ND2 ASN A 20 9.261 2.315 0.633 1.00 0.00 N ATOM 0 H ASN A 20 10.095 5.483 4.055 1.00 0.00 H new ATOM 0 HA ASN A 20 7.793 5.603 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.183 4.604 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.605 3.234 2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.930 1.869 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.025 1.897 1.164 1.00 0.00 H new ATOM 324 N GLU A 21 7.642 3.595 4.975 1.00 0.00 N ATOM 325 CA GLU A 21 6.725 2.792 5.779 1.00 0.00 C ATOM 326 C GLU A 21 5.579 3.627 6.349 1.00 0.00 C ATOM 327 O GLU A 21 4.437 3.171 6.392 1.00 0.00 O ATOM 328 CB GLU A 21 7.492 2.138 6.917 1.00 0.00 C ATOM 329 CG GLU A 21 8.632 1.272 6.433 1.00 0.00 C ATOM 330 CD GLU A 21 8.195 -0.122 6.048 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.819 -0.898 6.952 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.238 -0.456 4.848 1.00 0.00 O ATOM 0 H GLU A 21 8.574 3.694 5.377 1.00 0.00 H new ATOM 0 HA GLU A 21 6.289 2.033 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.884 2.912 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.807 1.531 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.103 1.749 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.388 1.206 7.215 1.00 0.00 H new ATOM 339 N GLN A 22 5.893 4.844 6.784 1.00 0.00 N ATOM 340 CA GLN A 22 4.904 5.708 7.437 1.00 0.00 C ATOM 341 C GLN A 22 3.685 5.922 6.555 1.00 0.00 C ATOM 342 O GLN A 22 2.567 5.535 6.897 1.00 0.00 O ATOM 343 CB GLN A 22 5.481 7.092 7.749 1.00 0.00 C ATOM 344 CG GLN A 22 6.836 7.085 8.431 1.00 0.00 C ATOM 345 CD GLN A 22 7.382 8.484 8.631 1.00 0.00 C ATOM 346 OE1 GLN A 22 8.694 8.619 8.575 1.00 0.00 O flip ATOM 347 NE2 GLN A 22 6.629 9.438 8.819 1.00 0.00 N flip ATOM 0 H GLN A 22 6.822 5.257 6.698 1.00 0.00 H new ATOM 0 HA GLN A 22 4.625 5.197 8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.563 7.653 6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.775 7.628 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.752 6.588 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.539 6.504 7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.620 9.292 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.013 10.375 8.938 1.00 0.00 H new ATOM 356 N LEU A 23 3.917 6.535 5.408 1.00 0.00 N ATOM 357 CA LEU A 23 2.834 7.063 4.603 1.00 0.00 C ATOM 358 C LEU A 23 2.146 5.988 3.769 1.00 0.00 C ATOM 359 O LEU A 23 1.012 6.179 3.342 1.00 0.00 O ATOM 360 CB LEU A 23 3.325 8.238 3.744 1.00 0.00 C ATOM 361 CG LEU A 23 4.069 7.910 2.451 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.606 9.186 1.841 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.200 6.923 2.668 1.00 0.00 C ATOM 0 H LEU A 23 4.847 6.679 5.014 1.00 0.00 H new ATOM 0 HA LEU A 23 2.072 7.440 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.460 8.850 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.980 8.854 4.361 1.00 0.00 H new ATOM 0 HG LEU A 23 3.359 7.438 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.137 8.953 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.779 9.861 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.290 9.665 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.696 6.724 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.919 7.342 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.799 5.993 3.070 1.00 0.00 H new ATOM 375 N GLN A 24 2.800 4.850 3.556 1.00 0.00 N ATOM 376 CA GLN A 24 2.141 3.744 2.870 1.00 0.00 C ATOM 377 C GLN A 24 1.042 3.180 3.763 1.00 0.00 C ATOM 378 O GLN A 24 0.024 2.675 3.285 1.00 0.00 O ATOM 379 CB GLN A 24 3.129 2.642 2.477 1.00 0.00 C ATOM 380 CG GLN A 24 3.761 1.923 3.652 1.00 0.00 C ATOM 381 CD GLN A 24 4.682 0.808 3.214 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.939 1.140 2.983 1.00 0.00 O flip ATOM 383 NE2 GLN A 24 4.262 -0.339 3.069 1.00 0.00 N flip ATOM 0 H GLN A 24 3.763 4.671 3.841 1.00 0.00 H new ATOM 0 HA GLN A 24 1.707 4.127 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.612 1.912 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.919 3.079 1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.321 2.638 4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.977 1.514 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.283 -0.551 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.893 -1.078 2.759 1.00 0.00 H new ATOM 392 N ARG A 25 1.255 3.300 5.068 1.00 0.00 N ATOM 393 CA ARG A 25 0.269 2.929 6.052 1.00 0.00 C ATOM 394 C ARG A 25 -0.870 3.937 6.031 1.00 0.00 C ATOM 395 O ARG A 25 -2.041 3.578 6.106 1.00 0.00 O ATOM 396 CB ARG A 25 0.928 2.907 7.426 1.00 0.00 C ATOM 397 CG ARG A 25 -0.016 3.288 8.539 1.00 0.00 C ATOM 398 CD ARG A 25 0.732 3.843 9.738 1.00 0.00 C ATOM 399 NE ARG A 25 1.783 2.934 10.197 1.00 0.00 N ATOM 400 CZ ARG A 25 2.354 3.004 11.399 1.00 0.00 C ATOM 401 NH1 ARG A 25 1.971 3.934 12.266 1.00 0.00 N ATOM 402 NH2 ARG A 25 3.305 2.141 11.736 1.00 0.00 N ATOM 0 H ARG A 25 2.123 3.660 5.466 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.132 1.941 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.323 1.909 7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.777 3.591 7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.727 4.031 8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.594 2.415 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.173 4.805 9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.029 4.025 10.551 1.00 0.00 H new ATOM 0 HE ARG A 25 2.097 2.203 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.238 4.597 12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.410 3.986 13.185 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.600 1.423 11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.741 2.196 12.657 1.00 0.00 H new ATOM 416 N LEU A 26 -0.502 5.206 5.925 1.00 0.00 N ATOM 417 CA LEU A 26 -1.467 6.292 5.861 1.00 0.00 C ATOM 418 C LEU A 26 -2.341 6.141 4.624 1.00 0.00 C ATOM 419 O LEU A 26 -3.547 6.376 4.670 1.00 0.00 O ATOM 420 CB LEU A 26 -0.723 7.627 5.867 1.00 0.00 C ATOM 421 CG LEU A 26 0.140 7.836 7.119 1.00 0.00 C ATOM 422 CD1 LEU A 26 0.997 9.083 7.009 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.734 7.905 8.361 1.00 0.00 C ATOM 0 H LEU A 26 0.471 5.510 5.881 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.123 6.261 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.088 7.685 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.447 8.439 5.794 1.00 0.00 H new ATOM 0 HG LEU A 26 0.810 6.980 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.593 9.196 7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.659 8.995 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.356 9.956 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.106 8.053 9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.432 8.737 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.291 6.974 8.466 1.00 0.00 H new ATOM 435 N ILE A 27 -1.721 5.727 3.528 1.00 0.00 N ATOM 436 CA ILE A 27 -2.452 5.339 2.333 1.00 0.00 C ATOM 437 C ILE A 27 -3.424 4.221 2.666 1.00 0.00 C ATOM 438 O ILE A 27 -4.613 4.320 2.387 1.00 0.00 O ATOM 439 CB ILE A 27 -1.494 4.850 1.233 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.590 5.987 0.784 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.261 4.272 0.049 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.487 5.535 -0.163 1.00 0.00 C ATOM 0 H ILE A 27 -0.707 5.651 3.443 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.992 6.214 1.970 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.877 4.053 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.193 6.756 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.129 6.446 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.556 3.935 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.865 3.428 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.911 5.039 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.101 6.389 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.111 4.787 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.031 5.101 -1.053 1.00 0.00 H new ATOM 454 N THR A 28 -2.894 3.175 3.291 1.00 0.00 N ATOM 455 CA THR A 28 -3.668 2.017 3.695 1.00 0.00 C ATOM 456 C THR A 28 -4.921 2.422 4.486 1.00 0.00 C ATOM 457 O THR A 28 -6.013 1.929 4.213 1.00 0.00 O ATOM 458 CB THR A 28 -2.765 1.064 4.519 1.00 0.00 C ATOM 459 OG1 THR A 28 -2.379 -0.070 3.733 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.425 0.611 5.810 1.00 0.00 C ATOM 0 H THR A 28 -1.905 3.111 3.532 1.00 0.00 H new ATOM 0 HA THR A 28 -4.017 1.497 2.803 1.00 0.00 H new ATOM 0 HB THR A 28 -1.875 1.630 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.808 -0.660 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.751 -0.054 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.649 1.480 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.350 0.082 5.580 1.00 0.00 H new ATOM 468 N GLN A 29 -4.756 3.344 5.433 1.00 0.00 N ATOM 469 CA GLN A 29 -5.859 3.800 6.277 1.00 0.00 C ATOM 470 C GLN A 29 -6.977 4.405 5.436 1.00 0.00 C ATOM 471 O GLN A 29 -8.134 3.989 5.518 1.00 0.00 O ATOM 472 CB GLN A 29 -5.357 4.846 7.273 1.00 0.00 C ATOM 473 CG GLN A 29 -4.226 4.361 8.163 1.00 0.00 C ATOM 474 CD GLN A 29 -4.701 3.711 9.451 1.00 0.00 C ATOM 475 OE1 GLN A 29 -5.879 3.109 9.430 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 -4.005 3.756 10.466 1.00 0.00 N flip ATOM 0 H GLN A 29 -3.863 3.792 5.636 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.251 2.936 6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.021 5.725 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.189 5.163 7.901 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.619 3.646 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.581 5.205 8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.102 4.229 10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.332 3.320 11.328 1.00 0.00 H new ATOM 485 N LYS A 30 -6.616 5.388 4.629 1.00 0.00 N ATOM 486 CA LYS A 30 -7.579 6.087 3.787 1.00 0.00 C ATOM 487 C LYS A 30 -8.148 5.164 2.715 1.00 0.00 C ATOM 488 O LYS A 30 -9.348 5.193 2.439 1.00 0.00 O ATOM 489 CB LYS A 30 -6.934 7.320 3.146 1.00 0.00 C ATOM 490 CG LYS A 30 -6.817 8.510 4.089 1.00 0.00 C ATOM 491 CD LYS A 30 -5.799 8.288 5.195 1.00 0.00 C ATOM 492 CE LYS A 30 -5.806 9.431 6.197 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.469 10.733 5.564 1.00 0.00 N ATOM 0 H LYS A 30 -5.657 5.724 4.537 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.404 6.413 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.940 7.054 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.520 7.614 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.538 9.395 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.791 8.712 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.017 7.351 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.804 8.190 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.790 9.499 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.091 9.219 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.352 11.457 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.583 10.639 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.236 11.015 4.920 1.00 0.00 H new ATOM 507 N GLU A 31 -7.281 4.340 2.134 1.00 0.00 N ATOM 508 CA GLU A 31 -7.667 3.381 1.102 1.00 0.00 C ATOM 509 C GLU A 31 -8.902 2.588 1.497 1.00 0.00 C ATOM 510 O GLU A 31 -9.898 2.593 0.776 1.00 0.00 O ATOM 511 CB GLU A 31 -6.510 2.423 0.825 1.00 0.00 C ATOM 512 CG GLU A 31 -5.616 2.865 -0.317 1.00 0.00 C ATOM 513 CD GLU A 31 -6.247 2.598 -1.663 1.00 0.00 C ATOM 514 OE1 GLU A 31 -6.270 3.510 -2.508 1.00 0.00 O ATOM 515 OE2 GLU A 31 -6.731 1.464 -1.879 1.00 0.00 O ATOM 0 H GLU A 31 -6.288 4.318 2.366 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.907 3.946 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.908 2.322 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.913 1.436 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.404 3.930 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.661 2.343 -0.254 1.00 0.00 H new ATOM 522 N GLU A 32 -8.830 1.925 2.648 1.00 0.00 N ATOM 523 CA GLU A 32 -9.929 1.098 3.139 1.00 0.00 C ATOM 524 C GLU A 32 -11.232 1.873 3.107 1.00 0.00 C ATOM 525 O GLU A 32 -12.191 1.476 2.449 1.00 0.00 O ATOM 526 CB GLU A 32 -9.655 0.649 4.573 1.00 0.00 C ATOM 527 CG GLU A 32 -8.272 0.079 4.772 1.00 0.00 C ATOM 528 CD GLU A 32 -8.004 -0.311 6.209 1.00 0.00 C ATOM 529 OE1 GLU A 32 -7.617 0.567 7.006 1.00 0.00 O ATOM 530 OE2 GLU A 32 -8.180 -1.498 6.552 1.00 0.00 O ATOM 0 H GLU A 32 -8.016 1.945 3.262 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.010 0.225 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.789 1.498 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.393 -0.101 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.148 -0.795 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.531 0.813 4.455 1.00 0.00 H new ATOM 537 N LYS A 33 -11.226 3.006 3.793 1.00 0.00 N ATOM 538 CA LYS A 33 -12.421 3.834 3.948 1.00 0.00 C ATOM 539 C LYS A 33 -13.004 4.237 2.589 1.00 0.00 C ATOM 540 O LYS A 33 -14.220 4.215 2.392 1.00 0.00 O ATOM 541 CB LYS A 33 -12.087 5.085 4.768 1.00 0.00 C ATOM 542 CG LYS A 33 -11.403 4.784 6.095 1.00 0.00 C ATOM 543 CD LYS A 33 -11.054 6.059 6.851 1.00 0.00 C ATOM 544 CE LYS A 33 -12.272 6.677 7.527 1.00 0.00 C ATOM 545 NZ LYS A 33 -12.798 5.821 8.626 1.00 0.00 N ATOM 0 H LYS A 33 -10.398 3.380 4.258 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.173 3.245 4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.442 5.735 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.006 5.638 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.057 4.164 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.495 4.208 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.296 5.838 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.618 6.781 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.007 7.656 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.055 6.837 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.410 6.389 9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.348 5.036 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.004 5.439 9.179 1.00 0.00 H new ATOM 559 N ILE A 34 -12.131 4.585 1.652 1.00 0.00 N ATOM 560 CA ILE A 34 -12.557 5.020 0.325 1.00 0.00 C ATOM 561 C ILE A 34 -13.158 3.859 -0.474 1.00 0.00 C ATOM 562 O ILE A 34 -14.100 4.045 -1.248 1.00 0.00 O ATOM 563 CB ILE A 34 -11.382 5.647 -0.456 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.875 6.884 0.281 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.806 6.006 -1.874 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.492 7.326 -0.156 1.00 0.00 C ATOM 0 H ILE A 34 -11.120 4.575 1.786 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.328 5.778 0.463 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.575 4.917 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.576 7.704 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.860 6.679 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.962 6.446 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.133 5.106 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.626 6.723 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.197 8.210 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.778 6.523 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.505 7.564 -1.220 1.00 0.00 H new ATOM 578 N ARG A 35 -12.624 2.661 -0.271 1.00 0.00 N ATOM 579 CA ARG A 35 -13.137 1.471 -0.946 1.00 0.00 C ATOM 580 C ARG A 35 -14.525 1.130 -0.416 1.00 0.00 C ATOM 581 O ARG A 35 -15.428 0.762 -1.171 1.00 0.00 O ATOM 582 CB ARG A 35 -12.190 0.287 -0.740 1.00 0.00 C ATOM 583 CG ARG A 35 -10.756 0.562 -1.179 1.00 0.00 C ATOM 584 CD ARG A 35 -10.663 0.902 -2.661 1.00 0.00 C ATOM 585 NE ARG A 35 -9.426 1.616 -2.990 1.00 0.00 N ATOM 586 CZ ARG A 35 -9.239 2.292 -4.126 1.00 0.00 C ATOM 587 NH1 ARG A 35 -10.140 2.222 -5.097 1.00 0.00 N ATOM 588 NH2 ARG A 35 -8.141 3.015 -4.304 1.00 0.00 N ATOM 0 H ARG A 35 -11.837 2.486 0.354 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.204 1.678 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.191 0.012 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.571 -0.571 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.350 1.386 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.140 -0.312 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.717 -0.016 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.520 1.513 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.664 1.595 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.977 1.651 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.996 2.739 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.433 3.057 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.004 3.529 -5.174 1.00 0.00 H new ATOM 602 N VAL A 36 -14.689 1.280 0.890 1.00 0.00 N ATOM 603 CA VAL A 36 -15.975 1.064 1.541 1.00 0.00 C ATOM 604 C VAL A 36 -16.984 2.094 1.053 1.00 0.00 C ATOM 605 O VAL A 36 -18.188 1.835 0.989 1.00 0.00 O ATOM 606 CB VAL A 36 -15.835 1.165 3.071 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.122 0.759 3.772 1.00 0.00 C ATOM 608 CG2 VAL A 36 -14.670 0.315 3.540 1.00 0.00 C ATOM 0 H VAL A 36 -13.940 1.553 1.526 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.324 0.063 1.286 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.638 2.205 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.990 0.841 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.932 1.415 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.367 -0.271 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.577 0.391 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.844 -0.725 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.751 0.667 3.071 1.00 0.00 H new ATOM 618 N LEU A 37 -16.470 3.264 0.697 1.00 0.00 N ATOM 619 CA LEU A 37 -17.290 4.331 0.140 1.00 0.00 C ATOM 620 C LEU A 37 -17.906 3.888 -1.180 1.00 0.00 C ATOM 621 O LEU A 37 -19.006 4.300 -1.519 1.00 0.00 O ATOM 622 CB LEU A 37 -16.457 5.594 -0.082 1.00 0.00 C ATOM 623 CG LEU A 37 -17.125 6.913 0.316 1.00 0.00 C ATOM 624 CD1 LEU A 37 -18.307 7.224 -0.576 1.00 0.00 C ATOM 625 CD2 LEU A 37 -17.564 6.885 1.762 1.00 0.00 C ATOM 0 H LEU A 37 -15.481 3.499 0.785 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.085 4.554 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.527 5.496 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.189 5.649 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.383 7.701 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.758 8.167 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.971 7.305 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.044 6.425 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.035 7.834 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.277 6.074 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.696 6.726 2.403 1.00 0.00 H new ATOM 637 N ARG A 38 -17.194 3.047 -1.920 1.00 0.00 N ATOM 638 CA ARG A 38 -17.711 2.521 -3.180 1.00 0.00 C ATOM 639 C ARG A 38 -18.999 1.746 -2.940 1.00 0.00 C ATOM 640 O ARG A 38 -19.956 1.866 -3.701 1.00 0.00 O ATOM 641 CB ARG A 38 -16.679 1.635 -3.876 1.00 0.00 C ATOM 642 CG ARG A 38 -15.430 2.386 -4.298 1.00 0.00 C ATOM 643 CD ARG A 38 -14.494 1.509 -5.113 1.00 0.00 C ATOM 644 NE ARG A 38 -15.107 1.062 -6.366 1.00 0.00 N ATOM 645 CZ ARG A 38 -14.434 0.889 -7.505 1.00 0.00 C ATOM 646 NH1 ARG A 38 -13.135 1.154 -7.561 1.00 0.00 N ATOM 647 NH2 ARG A 38 -15.062 0.459 -8.593 1.00 0.00 N ATOM 0 H ARG A 38 -16.262 2.715 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 38 -17.924 3.366 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -16.397 0.823 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -17.135 1.180 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.712 3.260 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.908 2.751 -3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.581 2.062 -5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.205 0.640 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.109 0.871 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.647 1.491 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.624 1.020 -8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.062 0.260 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.545 0.328 -9.462 1.00 0.00 H new ATOM 661 N GLN A 39 -19.025 0.969 -1.864 1.00 0.00 N ATOM 662 CA GLN A 39 -20.233 0.255 -1.467 1.00 0.00 C ATOM 663 C GLN A 39 -21.332 1.241 -1.080 1.00 0.00 C ATOM 664 O GLN A 39 -22.519 0.985 -1.284 1.00 0.00 O ATOM 665 CB GLN A 39 -19.923 -0.673 -0.302 1.00 0.00 C ATOM 666 CG GLN A 39 -18.766 -1.614 -0.581 1.00 0.00 C ATOM 667 CD GLN A 39 -19.060 -2.628 -1.677 1.00 0.00 C ATOM 668 OE1 GLN A 39 -20.321 -3.011 -1.825 1.00 0.00 O flip ATOM 669 NE2 GLN A 39 -18.154 -3.065 -2.386 1.00 0.00 N flip ATOM 0 H GLN A 39 -18.224 0.817 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 39 -20.585 -0.339 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.692 -0.075 0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -20.811 -1.259 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -17.891 -1.028 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.511 -2.145 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.196 -2.747 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.362 -3.745 -3.117 1.00 0.00 H new ATOM 678 N ARG A 40 -20.923 2.367 -0.510 1.00 0.00 N ATOM 679 CA ARG A 40 -21.840 3.466 -0.225 1.00 0.00 C ATOM 680 C ARG A 40 -22.385 4.058 -1.523 1.00 0.00 C ATOM 681 O ARG A 40 -23.560 4.417 -1.607 1.00 0.00 O ATOM 682 CB ARG A 40 -21.135 4.558 0.585 1.00 0.00 C ATOM 683 CG ARG A 40 -21.255 4.427 2.100 1.00 0.00 C ATOM 684 CD ARG A 40 -20.816 3.063 2.613 1.00 0.00 C ATOM 685 NE ARG A 40 -21.882 2.067 2.505 1.00 0.00 N ATOM 686 CZ ARG A 40 -21.715 0.763 2.715 1.00 0.00 C ATOM 687 NH1 ARG A 40 -20.515 0.278 3.013 1.00 0.00 N ATOM 688 NH2 ARG A 40 -22.753 -0.055 2.629 1.00 0.00 N ATOM 0 H ARG A 40 -19.957 2.545 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 40 -22.670 3.072 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.078 4.559 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.539 5.526 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.651 5.200 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -22.289 4.605 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.947 2.726 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.506 3.150 3.654 1.00 0.00 H new ATOM 0 HE ARG A 40 -22.815 2.393 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.714 0.906 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.394 -0.722 3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.676 0.315 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.629 -1.055 2.789 1.00 0.00 H new ATOM 702 N LEU A 41 -21.525 4.156 -2.536 1.00 0.00 N ATOM 703 CA LEU A 41 -21.939 4.655 -3.844 1.00 0.00 C ATOM 704 C LEU A 41 -22.915 3.675 -4.478 1.00 0.00 C ATOM 705 O LEU A 41 -23.818 4.071 -5.210 1.00 0.00 O ATOM 706 CB LEU A 41 -20.749 4.844 -4.791 1.00 0.00 C ATOM 707 CG LEU A 41 -19.484 5.464 -4.192 1.00 0.00 C ATOM 708 CD1 LEU A 41 -18.366 5.475 -5.221 1.00 0.00 C ATOM 709 CD2 LEU A 41 -19.741 6.872 -3.689 1.00 0.00 C ATOM 0 H LEU A 41 -20.540 3.897 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.410 5.626 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.487 3.871 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.073 5.469 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.184 4.852 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.472 5.918 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -18.149 4.453 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.674 6.061 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.822 7.282 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -20.074 7.499 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.512 6.848 -2.919 1.00 0.00 H new ATOM 721 N VAL A 42 -22.702 2.391 -4.204 1.00 0.00 N ATOM 722 CA VAL A 42 -23.613 1.337 -4.636 1.00 0.00 C ATOM 723 C VAL A 42 -25.027 1.628 -4.149 1.00 0.00 C ATOM 724 O VAL A 42 -25.990 1.544 -4.910 1.00 0.00 O ATOM 725 CB VAL A 42 -23.158 -0.042 -4.104 1.00 0.00 C ATOM 726 CG1 VAL A 42 -24.218 -1.104 -4.345 1.00 0.00 C ATOM 727 CG2 VAL A 42 -21.837 -0.453 -4.735 1.00 0.00 C ATOM 0 H VAL A 42 -21.896 2.053 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 42 -23.602 1.312 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 42 -23.014 0.049 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -23.868 -2.062 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -25.138 -0.822 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -24.409 -1.191 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -21.535 -1.426 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -21.954 -0.515 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -21.073 0.286 -4.494 1.00 0.00 H new ATOM 737 N GLU A 43 -25.132 2.000 -2.882 1.00 0.00 N ATOM 738 CA GLU A 43 -26.414 2.338 -2.278 1.00 0.00 C ATOM 739 C GLU A 43 -27.020 3.564 -2.956 1.00 0.00 C ATOM 740 O GLU A 43 -28.240 3.684 -3.074 1.00 0.00 O ATOM 741 CB GLU A 43 -26.230 2.599 -0.785 1.00 0.00 C ATOM 742 CG GLU A 43 -25.575 1.445 -0.049 1.00 0.00 C ATOM 743 CD GLU A 43 -25.271 1.773 1.399 1.00 0.00 C ATOM 744 OE1 GLU A 43 -25.894 1.167 2.295 1.00 0.00 O ATOM 745 OE2 GLU A 43 -24.406 2.639 1.652 1.00 0.00 O ATOM 0 H GLU A 43 -24.338 2.076 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.096 1.499 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -25.625 3.496 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.202 2.802 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -26.230 0.574 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -24.650 1.173 -0.558 1.00 0.00 H new ATOM 752 N ARG A 44 -26.155 4.466 -3.411 1.00 0.00 N ATOM 753 CA ARG A 44 -26.594 5.663 -4.121 1.00 0.00 C ATOM 754 C ARG A 44 -27.006 5.317 -5.545 1.00 0.00 C ATOM 755 O ARG A 44 -27.795 6.022 -6.171 1.00 0.00 O ATOM 756 CB ARG A 44 -25.483 6.717 -4.176 1.00 0.00 C ATOM 757 CG ARG A 44 -24.952 7.140 -2.820 1.00 0.00 C ATOM 758 CD ARG A 44 -24.156 8.437 -2.910 1.00 0.00 C ATOM 759 NE ARG A 44 -23.312 8.500 -4.106 1.00 0.00 N ATOM 760 CZ ARG A 44 -22.233 9.277 -4.219 1.00 0.00 C ATOM 761 NH1 ARG A 44 -21.834 10.025 -3.197 1.00 0.00 N ATOM 762 NH2 ARG A 44 -21.558 9.317 -5.363 1.00 0.00 N ATOM 0 H ARG A 44 -25.144 4.390 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 44 -27.445 6.069 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -24.657 6.326 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -25.860 7.598 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -25.783 7.270 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -24.319 6.351 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -24.845 9.282 -2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -23.530 8.537 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 44 -23.565 7.914 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -22.353 10.008 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.008 10.617 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -21.865 8.753 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.733 9.911 -5.448 1.00 0.00 H new ATOM 776 N GLY A 45 -26.451 4.226 -6.044 1.00 0.00 N ATOM 777 CA GLY A 45 -26.691 3.817 -7.409 1.00 0.00 C ATOM 778 C GLY A 45 -25.716 4.478 -8.356 1.00 0.00 C ATOM 779 O GLY A 45 -26.021 4.699 -9.527 1.00 0.00 O ATOM 0 H GLY A 45 -25.830 3.609 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.601 2.734 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -27.711 4.074 -7.695 1.00 0.00 H new ATOM 783 N ASP A 46 -24.530 4.783 -7.843 1.00 0.00 N ATOM 784 CA ASP A 46 -23.519 5.513 -8.603 1.00 0.00 C ATOM 785 C ASP A 46 -22.950 4.649 -9.722 1.00 0.00 C ATOM 786 O ASP A 46 -22.416 5.155 -10.709 1.00 0.00 O ATOM 787 CB ASP A 46 -22.391 5.967 -7.673 1.00 0.00 C ATOM 788 CG ASP A 46 -21.530 7.061 -8.275 1.00 0.00 C ATOM 789 OD1 ASP A 46 -20.396 6.770 -8.709 1.00 0.00 O ATOM 790 OD2 ASP A 46 -21.983 8.227 -8.298 1.00 0.00 O ATOM 0 H ASP A 46 -24.242 4.534 -6.897 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.993 6.387 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.821 6.324 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -21.762 5.111 -7.429 1.00 0.00 H new ATOM 795 N ALA A 47 -23.085 3.340 -9.571 1.00 0.00 N ATOM 796 CA ALA A 47 -22.554 2.399 -10.544 1.00 0.00 C ATOM 797 C ALA A 47 -23.650 1.881 -11.469 1.00 0.00 C ATOM 798 O ALA A 47 -23.429 0.956 -12.247 1.00 0.00 O ATOM 799 CB ALA A 47 -21.867 1.248 -9.833 1.00 0.00 C ATOM 0 H ALA A 47 -23.560 2.905 -8.780 1.00 0.00 H new ATOM 0 HA ALA A 47 -21.822 2.922 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -21.473 0.548 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -21.049 1.633 -9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -22.585 0.735 -9.194 1.00 0.00 H new ATOM 805 N LYS A 48 -24.827 2.496 -11.396 1.00 0.00 N ATOM 806 CA LYS A 48 -25.954 2.097 -12.237 1.00 0.00 C ATOM 807 C LYS A 48 -25.751 2.542 -13.684 1.00 0.00 C ATOM 808 O LYS A 48 -26.535 2.188 -14.564 1.00 0.00 O ATOM 809 CB LYS A 48 -27.266 2.671 -11.699 1.00 0.00 C ATOM 810 CG LYS A 48 -27.769 1.978 -10.444 1.00 0.00 C ATOM 811 CD LYS A 48 -28.072 0.511 -10.703 1.00 0.00 C ATOM 812 CE LYS A 48 -28.602 -0.178 -9.459 1.00 0.00 C ATOM 813 NZ LYS A 48 -29.900 0.393 -9.013 1.00 0.00 N ATOM 0 H LYS A 48 -25.026 3.272 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 48 -26.008 1.009 -12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -27.128 3.731 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -28.029 2.598 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -27.021 2.063 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -28.668 2.479 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.804 0.426 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -27.167 0.006 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.724 -1.242 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -27.871 -0.087 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -30.332 -0.236 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -29.740 1.330 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -30.537 0.485 -9.830 1.00 0.00 H new ATOM 827 N GLY A 49 -24.706 3.328 -13.920 1.00 0.00 N ATOM 828 CA GLY A 49 -24.380 3.741 -15.271 1.00 0.00 C ATOM 829 C GLY A 49 -23.841 2.584 -16.080 1.00 0.00 C ATOM 830 O GLY A 49 -24.113 2.458 -17.275 1.00 0.00 O ATOM 0 H GLY A 49 -24.079 3.686 -13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -25.269 4.144 -15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -23.642 4.543 -15.241 1.00 0.00 H new ATOM 834 N THR A 50 -23.061 1.743 -15.420 1.00 0.00 N ATOM 835 CA THR A 50 -22.560 0.520 -16.015 1.00 0.00 C ATOM 836 C THR A 50 -22.287 -0.514 -14.926 1.00 0.00 C ATOM 837 O THR A 50 -21.188 -0.579 -14.370 1.00 0.00 O ATOM 838 CB THR A 50 -21.271 0.768 -16.831 1.00 0.00 C ATOM 839 OG1 THR A 50 -21.516 1.748 -17.849 1.00 0.00 O ATOM 840 CG2 THR A 50 -20.772 -0.518 -17.477 1.00 0.00 C ATOM 0 H THR A 50 -22.759 1.891 -14.457 1.00 0.00 H new ATOM 0 HA THR A 50 -23.324 0.146 -16.697 1.00 0.00 H new ATOM 0 HB THR A 50 -20.505 1.131 -16.146 1.00 0.00 H new ATOM 0 HG1 THR A 50 -20.694 1.901 -18.361 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.864 -0.312 -18.044 1.00 0.00 H new ATOM 0 HG22 THR A 50 -20.557 -1.254 -16.703 1.00 0.00 H new ATOM 0 HG23 THR A 50 -21.537 -0.909 -18.147 1.00 0.00 H new ATOM 848 N GLU A 51 -23.299 -1.299 -14.603 1.00 0.00 N ATOM 849 CA GLU A 51 -23.143 -2.378 -13.649 1.00 0.00 C ATOM 850 C GLU A 51 -23.375 -3.709 -14.339 1.00 0.00 C ATOM 851 O GLU A 51 -24.372 -3.900 -15.038 1.00 0.00 O ATOM 852 CB GLU A 51 -24.095 -2.214 -12.464 1.00 0.00 C ATOM 853 CG GLU A 51 -23.921 -3.280 -11.393 1.00 0.00 C ATOM 854 CD GLU A 51 -22.481 -3.422 -10.941 1.00 0.00 C ATOM 855 OE1 GLU A 51 -22.066 -2.699 -10.012 1.00 0.00 O ATOM 856 OE2 GLU A 51 -21.752 -4.259 -11.517 1.00 0.00 O ATOM 0 H GLU A 51 -24.239 -1.208 -14.989 1.00 0.00 H new ATOM 0 HA GLU A 51 -22.125 -2.349 -13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.940 -1.232 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.122 -2.240 -12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -24.545 -3.032 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -24.273 -4.237 -11.777 1.00 0.00 H new ATOM 863 N LEU A 52 -22.450 -4.621 -14.135 1.00 0.00 N ATOM 864 CA LEU A 52 -22.475 -5.896 -14.820 1.00 0.00 C ATOM 865 C LEU A 52 -22.903 -6.996 -13.866 1.00 0.00 C ATOM 866 O LEU A 52 -23.483 -8.005 -14.274 1.00 0.00 O ATOM 867 CB LEU A 52 -21.092 -6.192 -15.399 1.00 0.00 C ATOM 868 CG LEU A 52 -20.512 -5.084 -16.284 1.00 0.00 C ATOM 869 CD1 LEU A 52 -19.123 -5.459 -16.763 1.00 0.00 C ATOM 870 CD2 LEU A 52 -21.424 -4.802 -17.470 1.00 0.00 C ATOM 0 H LEU A 52 -21.665 -4.502 -13.495 1.00 0.00 H new ATOM 0 HA LEU A 52 -23.197 -5.853 -15.635 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -20.402 -6.378 -14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -21.148 -7.111 -15.982 1.00 0.00 H new ATOM 0 HG LEU A 52 -20.441 -4.176 -15.686 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.727 -4.661 -17.390 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -18.469 -5.604 -15.903 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.174 -6.382 -17.340 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.990 -4.012 -18.083 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -21.533 -5.707 -18.068 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -22.403 -4.485 -17.109 1.00 0.00 H new ATOM 882 N ASN A 53 -22.631 -6.769 -12.593 1.00 0.00 N ATOM 883 CA ASN A 53 -22.970 -7.711 -11.534 1.00 0.00 C ATOM 884 C ASN A 53 -22.535 -7.164 -10.185 1.00 0.00 C ATOM 885 O ASN A 53 -21.362 -6.846 -9.981 1.00 0.00 O ATOM 886 CB ASN A 53 -22.314 -9.076 -11.766 1.00 0.00 C ATOM 887 CG ASN A 53 -22.610 -10.054 -10.645 1.00 0.00 C ATOM 888 OD1 ASN A 53 -21.846 -10.168 -9.688 1.00 0.00 O ATOM 889 ND2 ASN A 53 -23.724 -10.761 -10.748 1.00 0.00 N ATOM 0 H ASN A 53 -22.167 -5.924 -12.261 1.00 0.00 H new ATOM 0 HA ASN A 53 -24.052 -7.843 -11.545 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -22.667 -9.491 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -21.236 -8.948 -11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -23.974 -11.428 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -24.333 -10.639 -11.557 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 11.607 -20.304 -6.833 1.00 0.00 N ATOM 898 CA GLY B 84 13.028 -20.058 -6.729 1.00 0.00 C ATOM 899 C GLY B 84 13.385 -19.351 -5.441 1.00 0.00 C ATOM 900 O GLY B 84 12.499 -18.863 -4.739 1.00 0.00 O ATOM 0 HA2 GLY B 84 13.565 -21.005 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY B 84 13.355 -19.456 -7.577 1.00 0.00 H new ATOM 904 N PRO B 85 14.677 -19.286 -5.099 1.00 0.00 N ATOM 905 CA PRO B 85 15.143 -18.600 -3.906 1.00 0.00 C ATOM 906 C PRO B 85 15.383 -17.119 -4.169 1.00 0.00 C ATOM 907 O PRO B 85 15.012 -16.607 -5.229 1.00 0.00 O ATOM 908 CB PRO B 85 16.453 -19.316 -3.604 1.00 0.00 C ATOM 909 CG PRO B 85 16.999 -19.643 -4.950 1.00 0.00 C ATOM 910 CD PRO B 85 15.803 -19.872 -5.851 1.00 0.00 C ATOM 0 HA PRO B 85 14.425 -18.631 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO B 85 17.135 -18.680 -3.039 1.00 0.00 H new ATOM 0 HB3 PRO B 85 16.290 -20.215 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO B 85 17.619 -18.829 -5.326 1.00 0.00 H new ATOM 0 HG3 PRO B 85 17.630 -20.531 -4.908 1.00 0.00 H new ATOM 0 HD2 PRO B 85 15.933 -19.387 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO B 85 15.645 -20.933 -6.044 1.00 0.00 H new ATOM 918 N LEU B 86 15.963 -16.435 -3.193 1.00 0.00 N ATOM 919 CA LEU B 86 16.339 -15.033 -3.345 1.00 0.00 C ATOM 920 C LEU B 86 17.106 -14.781 -4.649 1.00 0.00 C ATOM 921 O LEU B 86 17.768 -15.671 -5.191 1.00 0.00 O ATOM 922 CB LEU B 86 17.157 -14.524 -2.129 1.00 0.00 C ATOM 923 CG LEU B 86 18.272 -15.431 -1.537 1.00 0.00 C ATOM 924 CD1 LEU B 86 17.692 -16.549 -0.683 1.00 0.00 C ATOM 925 CD2 LEU B 86 19.176 -16.018 -2.614 1.00 0.00 C ATOM 0 H LEU B 86 16.186 -16.831 -2.280 1.00 0.00 H new ATOM 0 HA LEU B 86 15.409 -14.467 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU B 86 17.619 -13.579 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 86 16.452 -14.304 -1.327 1.00 0.00 H new ATOM 0 HG LEU B 86 18.880 -14.785 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU B 86 18.502 -17.162 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU B 86 17.125 -16.119 0.143 1.00 0.00 H new ATOM 0 HD13 LEU B 86 17.033 -17.168 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU B 86 19.938 -16.643 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU B 86 18.581 -16.621 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU B 86 19.657 -15.210 -3.165 1.00 0.00 H new ATOM 937 N GLY B 87 17.007 -13.561 -5.150 1.00 0.00 N ATOM 938 CA GLY B 87 17.702 -13.201 -6.367 1.00 0.00 C ATOM 939 C GLY B 87 19.056 -12.597 -6.073 1.00 0.00 C ATOM 940 O GLY B 87 19.696 -12.021 -6.953 1.00 0.00 O ATOM 0 H GLY B 87 16.456 -12.810 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY B 87 17.825 -14.085 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY B 87 17.101 -12.490 -6.934 1.00 0.00 H new ATOM 944 N SER B 88 19.506 -12.763 -4.832 1.00 0.00 N ATOM 945 CA SER B 88 20.752 -12.168 -4.353 1.00 0.00 C ATOM 946 C SER B 88 21.977 -12.705 -5.099 1.00 0.00 C ATOM 947 O SER B 88 23.100 -12.276 -4.847 1.00 0.00 O ATOM 948 CB SER B 88 20.890 -12.425 -2.854 1.00 0.00 C ATOM 949 OG SER B 88 19.719 -12.013 -2.168 1.00 0.00 O ATOM 0 H SER B 88 19.016 -13.315 -4.128 1.00 0.00 H new ATOM 0 HA SER B 88 20.708 -11.096 -4.546 1.00 0.00 H new ATOM 0 HB2 SER B 88 21.068 -13.485 -2.676 1.00 0.00 H new ATOM 0 HB3 SER B 88 21.754 -11.887 -2.465 1.00 0.00 H new ATOM 0 HG SER B 88 19.824 -12.186 -1.209 1.00 0.00 H new ATOM 955 N ARG B 89 21.756 -13.638 -6.017 1.00 0.00 N ATOM 956 CA ARG B 89 22.823 -14.132 -6.878 1.00 0.00 C ATOM 957 C ARG B 89 23.345 -13.016 -7.785 1.00 0.00 C ATOM 958 O ARG B 89 24.481 -13.062 -8.246 1.00 0.00 O ATOM 959 CB ARG B 89 22.334 -15.320 -7.716 1.00 0.00 C ATOM 960 CG ARG B 89 21.036 -15.053 -8.463 1.00 0.00 C ATOM 961 CD ARG B 89 20.623 -16.240 -9.323 1.00 0.00 C ATOM 962 NE ARG B 89 20.522 -17.476 -8.547 1.00 0.00 N ATOM 963 CZ ARG B 89 19.416 -18.212 -8.446 1.00 0.00 C ATOM 964 NH1 ARG B 89 18.283 -17.806 -9.010 1.00 0.00 N ATOM 965 NH2 ARG B 89 19.445 -19.353 -7.767 1.00 0.00 N ATOM 0 H ARG B 89 20.846 -14.068 -6.184 1.00 0.00 H new ATOM 0 HA ARG B 89 23.643 -14.471 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG B 89 23.108 -15.588 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG B 89 22.195 -16.181 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG B 89 20.244 -14.830 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG B 89 21.154 -14.171 -9.093 1.00 0.00 H new ATOM 0 HD2 ARG B 89 19.663 -16.029 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG B 89 21.348 -16.375 -10.125 1.00 0.00 H new ATOM 0 HE ARG B 89 21.354 -17.796 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG B 89 18.256 -16.926 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG B 89 17.440 -18.375 -8.928 1.00 0.00 H new ATOM 0 HH21 ARG B 89 20.311 -19.662 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG B 89 18.601 -19.920 -7.687 1.00 0.00 H new ATOM 979 N ARG B 90 22.509 -12.009 -8.024 1.00 0.00 N ATOM 980 CA ARG B 90 22.901 -10.860 -8.839 1.00 0.00 C ATOM 981 C ARG B 90 22.102 -9.619 -8.446 1.00 0.00 C ATOM 982 O ARG B 90 22.616 -8.495 -8.458 1.00 0.00 O ATOM 983 CB ARG B 90 22.701 -11.161 -10.329 1.00 0.00 C ATOM 984 CG ARG B 90 21.265 -11.492 -10.707 1.00 0.00 C ATOM 985 CD ARG B 90 21.109 -11.644 -12.210 1.00 0.00 C ATOM 986 NE ARG B 90 21.936 -12.723 -12.744 1.00 0.00 N ATOM 987 CZ ARG B 90 22.270 -12.842 -14.027 1.00 0.00 C ATOM 988 NH1 ARG B 90 21.878 -11.929 -14.908 1.00 0.00 N ATOM 989 NH2 ARG B 90 23.010 -13.868 -14.426 1.00 0.00 N ATOM 0 H ARG B 90 21.555 -11.964 -7.665 1.00 0.00 H new ATOM 0 HA ARG B 90 23.958 -10.665 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG B 90 23.029 -10.299 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG B 90 23.341 -11.997 -10.609 1.00 0.00 H new ATOM 0 HG2 ARG B 90 20.960 -12.415 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG B 90 20.602 -10.705 -10.349 1.00 0.00 H new ATOM 0 HD2 ARG B 90 20.063 -11.839 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG B 90 21.377 -10.707 -12.698 1.00 0.00 H new ATOM 0 HE ARG B 90 22.279 -13.429 -12.093 1.00 0.00 H new ATOM 0 HH11 ARG B 90 21.319 -11.133 -14.603 1.00 0.00 H new ATOM 0 HH12 ARG B 90 22.136 -12.024 -15.890 1.00 0.00 H new ATOM 0 HH21 ARG B 90 23.323 -14.565 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG B 90 23.266 -13.960 -15.409 1.00 0.00 H new ATOM 1003 N PHE B 91 20.853 -9.835 -8.057 1.00 0.00 N ATOM 1004 CA PHE B 91 19.944 -8.744 -7.745 1.00 0.00 C ATOM 1005 C PHE B 91 20.379 -8.014 -6.477 1.00 0.00 C ATOM 1006 O PHE B 91 19.867 -6.947 -6.170 1.00 0.00 O ATOM 1007 CB PHE B 91 18.514 -9.278 -7.602 1.00 0.00 C ATOM 1008 CG PHE B 91 17.472 -8.209 -7.431 1.00 0.00 C ATOM 1009 CD1 PHE B 91 16.872 -7.999 -6.201 1.00 0.00 C ATOM 1010 CD2 PHE B 91 17.092 -7.419 -8.503 1.00 0.00 C ATOM 1011 CE1 PHE B 91 15.915 -7.016 -6.042 1.00 0.00 C ATOM 1012 CE2 PHE B 91 16.136 -6.436 -8.350 1.00 0.00 C ATOM 1013 CZ PHE B 91 15.546 -6.236 -7.118 1.00 0.00 C ATOM 0 H PHE B 91 20.445 -10.764 -7.950 1.00 0.00 H new ATOM 0 HA PHE B 91 19.970 -8.027 -8.565 1.00 0.00 H new ATOM 0 HB2 PHE B 91 18.269 -9.870 -8.484 1.00 0.00 H new ATOM 0 HB3 PHE B 91 18.473 -9.950 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE B 91 17.155 -8.610 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE B 91 17.549 -7.574 -9.469 1.00 0.00 H new ATOM 0 HE1 PHE B 91 15.456 -6.858 -5.077 1.00 0.00 H new ATOM 0 HE2 PHE B 91 15.850 -5.824 -9.193 1.00 0.00 H new ATOM 0 HZ PHE B 91 14.796 -5.469 -6.997 1.00 0.00 H new ATOM 1023 N VAL B 92 21.336 -8.580 -5.749 1.00 0.00 N ATOM 1024 CA VAL B 92 21.862 -7.924 -4.559 1.00 0.00 C ATOM 1025 C VAL B 92 22.633 -6.662 -4.953 1.00 0.00 C ATOM 1026 O VAL B 92 22.668 -5.680 -4.208 1.00 0.00 O ATOM 1027 CB VAL B 92 22.770 -8.863 -3.729 1.00 0.00 C ATOM 1028 CG1 VAL B 92 24.034 -9.233 -4.493 1.00 0.00 C ATOM 1029 CG2 VAL B 92 23.112 -8.225 -2.391 1.00 0.00 C ATOM 0 H VAL B 92 21.760 -9.484 -5.960 1.00 0.00 H new ATOM 0 HA VAL B 92 21.012 -7.653 -3.932 1.00 0.00 H new ATOM 0 HB VAL B 92 22.219 -9.785 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL B 92 24.649 -9.893 -3.881 1.00 0.00 H new ATOM 0 HG12 VAL B 92 23.764 -9.743 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL B 92 24.595 -8.329 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL B 92 23.751 -8.898 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL B 92 23.635 -7.284 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL B 92 22.195 -8.035 -1.833 1.00 0.00 H new ATOM 1039 N VAL B 93 23.230 -6.691 -6.141 1.00 0.00 N ATOM 1040 CA VAL B 93 23.935 -5.535 -6.669 1.00 0.00 C ATOM 1041 C VAL B 93 22.935 -4.454 -7.042 1.00 0.00 C ATOM 1042 O VAL B 93 23.117 -3.276 -6.717 1.00 0.00 O ATOM 1043 CB VAL B 93 24.783 -5.902 -7.903 1.00 0.00 C ATOM 1044 CG1 VAL B 93 25.504 -4.680 -8.454 1.00 0.00 C ATOM 1045 CG2 VAL B 93 25.776 -7.000 -7.562 1.00 0.00 C ATOM 0 H VAL B 93 23.238 -7.506 -6.755 1.00 0.00 H new ATOM 0 HA VAL B 93 24.609 -5.170 -5.894 1.00 0.00 H new ATOM 0 HB VAL B 93 24.110 -6.273 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL B 93 26.095 -4.968 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL B 93 24.772 -3.926 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL B 93 26.162 -4.270 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL B 93 26.365 -7.245 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL B 93 26.439 -6.657 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL B 93 25.237 -7.887 -7.228 1.00 0.00 H new ATOM 1055 N ASP B 94 21.864 -4.865 -7.710 1.00 0.00 N ATOM 1056 CA ASP B 94 20.795 -3.938 -8.057 1.00 0.00 C ATOM 1057 C ASP B 94 20.160 -3.401 -6.786 1.00 0.00 C ATOM 1058 O ASP B 94 20.049 -2.201 -6.608 1.00 0.00 O ATOM 1059 CB ASP B 94 19.720 -4.604 -8.917 1.00 0.00 C ATOM 1060 CG ASP B 94 20.293 -5.380 -10.083 1.00 0.00 C ATOM 1061 OD1 ASP B 94 20.394 -4.810 -11.190 1.00 0.00 O ATOM 1062 OD2 ASP B 94 20.645 -6.563 -9.902 1.00 0.00 O ATOM 0 H ASP B 94 21.713 -5.825 -8.020 1.00 0.00 H new ATOM 0 HA ASP B 94 21.233 -3.126 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP B 94 19.130 -5.277 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP B 94 19.040 -3.840 -9.295 1.00 0.00 H new ATOM 1067 N ASP B 95 19.797 -4.309 -5.885 1.00 0.00 N ATOM 1068 CA ASP B 95 19.172 -3.964 -4.599 1.00 0.00 C ATOM 1069 C ASP B 95 19.971 -2.903 -3.837 1.00 0.00 C ATOM 1070 O ASP B 95 19.443 -2.205 -2.978 1.00 0.00 O ATOM 1071 CB ASP B 95 19.011 -5.235 -3.751 1.00 0.00 C ATOM 1072 CG ASP B 95 18.650 -4.972 -2.304 1.00 0.00 C ATOM 1073 OD1 ASP B 95 19.574 -4.870 -1.468 1.00 0.00 O ATOM 1074 OD2 ASP B 95 17.445 -4.906 -1.989 1.00 0.00 O ATOM 0 H ASP B 95 19.926 -5.312 -6.021 1.00 0.00 H new ATOM 0 HA ASP B 95 18.191 -3.534 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP B 95 18.240 -5.862 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP B 95 19.942 -5.802 -3.785 1.00 0.00 H new ATOM 1079 N ARG B 96 21.232 -2.750 -4.180 1.00 0.00 N ATOM 1080 CA ARG B 96 22.055 -1.748 -3.535 1.00 0.00 C ATOM 1081 C ARG B 96 21.634 -0.360 -4.017 1.00 0.00 C ATOM 1082 O ARG B 96 21.070 0.426 -3.256 1.00 0.00 O ATOM 1083 CB ARG B 96 23.535 -2.007 -3.819 1.00 0.00 C ATOM 1084 CG ARG B 96 24.475 -1.097 -3.045 1.00 0.00 C ATOM 1085 CD ARG B 96 25.927 -1.482 -3.269 1.00 0.00 C ATOM 1086 NE ARG B 96 26.328 -1.331 -4.668 1.00 0.00 N ATOM 1087 CZ ARG B 96 26.825 -2.316 -5.416 1.00 0.00 C ATOM 1088 NH1 ARG B 96 26.892 -3.557 -4.942 1.00 0.00 N ATOM 1089 NH2 ARG B 96 27.231 -2.064 -6.655 1.00 0.00 N ATOM 0 H ARG B 96 21.707 -3.301 -4.895 1.00 0.00 H new ATOM 0 HA ARG B 96 21.913 -1.801 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG B 96 23.766 -3.044 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG B 96 23.718 -1.881 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG B 96 24.319 -0.063 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG B 96 24.242 -1.151 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG B 96 26.567 -0.863 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG B 96 26.079 -2.516 -2.958 1.00 0.00 H new ATOM 0 HE ARG B 96 26.220 -0.413 -5.099 1.00 0.00 H new ATOM 0 HH11 ARG B 96 26.561 -3.761 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG B 96 27.274 -4.304 -5.522 1.00 0.00 H new ATOM 0 HH21 ARG B 96 27.162 -1.119 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG B 96 27.612 -2.816 -7.230 1.00 0.00 H new ATOM 1103 N ARG B 97 21.855 -0.090 -5.299 1.00 0.00 N ATOM 1104 CA ARG B 97 21.512 1.208 -5.879 1.00 0.00 C ATOM 1105 C ARG B 97 20.014 1.297 -6.160 1.00 0.00 C ATOM 1106 O ARG B 97 19.344 2.248 -5.764 1.00 0.00 O ATOM 1107 CB ARG B 97 22.308 1.431 -7.177 1.00 0.00 C ATOM 1108 CG ARG B 97 22.058 2.782 -7.844 1.00 0.00 C ATOM 1109 CD ARG B 97 20.848 2.767 -8.778 1.00 0.00 C ATOM 1110 NE ARG B 97 20.461 4.127 -9.160 1.00 0.00 N ATOM 1111 CZ ARG B 97 19.528 4.433 -10.063 1.00 0.00 C ATOM 1112 NH1 ARG B 97 18.853 3.486 -10.696 1.00 0.00 N ATOM 1113 NH2 ARG B 97 19.268 5.705 -10.334 1.00 0.00 N ATOM 0 H ARG B 97 22.269 -0.750 -5.957 1.00 0.00 H new ATOM 0 HA ARG B 97 21.773 1.986 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG B 97 23.372 1.339 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG B 97 22.058 0.639 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG B 97 21.908 3.540 -7.075 1.00 0.00 H new ATOM 0 HG3 ARG B 97 22.944 3.072 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG B 97 21.081 2.187 -9.671 1.00 0.00 H new ATOM 0 HD3 ARG B 97 20.011 2.272 -8.286 1.00 0.00 H new ATOM 0 HE ARG B 97 20.942 4.900 -8.700 1.00 0.00 H new ATOM 0 HH11 ARG B 97 19.043 2.504 -10.496 1.00 0.00 H new ATOM 0 HH12 ARG B 97 18.143 3.739 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG B 97 19.781 6.444 -9.853 1.00 0.00 H new ATOM 0 HH22 ARG B 97 18.556 5.944 -11.024 1.00 0.00 H new ATOM 1127 N GLU B 98 19.510 0.285 -6.836 1.00 0.00 N ATOM 1128 CA GLU B 98 18.144 0.263 -7.332 1.00 0.00 C ATOM 1129 C GLU B 98 17.120 0.332 -6.209 1.00 0.00 C ATOM 1130 O GLU B 98 16.175 1.119 -6.270 1.00 0.00 O ATOM 1131 CB GLU B 98 17.921 -1.008 -8.132 1.00 0.00 C ATOM 1132 CG GLU B 98 18.668 -1.030 -9.444 1.00 0.00 C ATOM 1133 CD GLU B 98 18.099 -0.055 -10.445 1.00 0.00 C ATOM 1134 OE1 GLU B 98 18.799 0.910 -10.801 1.00 0.00 O ATOM 1135 OE2 GLU B 98 16.939 -0.240 -10.869 1.00 0.00 O ATOM 0 H GLU B 98 20.041 -0.556 -7.060 1.00 0.00 H new ATOM 0 HA GLU B 98 18.008 1.144 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU B 98 18.229 -1.865 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU B 98 16.855 -1.123 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU B 98 19.717 -0.793 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU B 98 18.635 -2.036 -9.861 1.00 0.00 H new ATOM 1142 N LEU B 99 17.310 -0.495 -5.189 1.00 0.00 N ATOM 1143 CA LEU B 99 16.331 -0.615 -4.121 1.00 0.00 C ATOM 1144 C LEU B 99 16.270 0.669 -3.300 1.00 0.00 C ATOM 1145 O LEU B 99 15.187 1.192 -3.065 1.00 0.00 O ATOM 1146 CB LEU B 99 16.645 -1.853 -3.264 1.00 0.00 C ATOM 1147 CG LEU B 99 15.751 -2.136 -2.047 1.00 0.00 C ATOM 1148 CD1 LEU B 99 16.207 -1.326 -0.850 1.00 0.00 C ATOM 1149 CD2 LEU B 99 14.284 -1.872 -2.358 1.00 0.00 C ATOM 0 H LEU B 99 18.131 -1.090 -5.080 1.00 0.00 H new ATOM 0 HA LEU B 99 15.338 -0.757 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU B 99 16.609 -2.727 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU B 99 17.672 -1.762 -2.910 1.00 0.00 H new ATOM 0 HG LEU B 99 15.847 -3.194 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.561 -1.540 0.002 1.00 0.00 H new ATOM 0 HD12 LEU B 99 17.235 -1.591 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.153 -0.264 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU B 99 13.681 -2.083 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU B 99 14.155 -0.828 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU B 99 13.964 -2.516 -3.177 1.00 0.00 H new ATOM 1161 N GLN B 100 17.417 1.206 -2.893 1.00 0.00 N ATOM 1162 CA GLN B 100 17.412 2.451 -2.126 1.00 0.00 C ATOM 1163 C GLN B 100 16.796 3.581 -2.955 1.00 0.00 C ATOM 1164 O GLN B 100 16.106 4.453 -2.429 1.00 0.00 O ATOM 1165 CB GLN B 100 18.826 2.835 -1.679 1.00 0.00 C ATOM 1166 CG GLN B 100 19.777 3.134 -2.825 1.00 0.00 C ATOM 1167 CD GLN B 100 21.137 3.616 -2.360 1.00 0.00 C ATOM 1168 OE1 GLN B 100 21.580 3.140 -1.208 1.00 0.00 O flip ATOM 1169 NE2 GLN B 100 21.793 4.402 -3.045 1.00 0.00 N flip ATOM 0 H GLN B 100 18.340 0.812 -3.075 1.00 0.00 H new ATOM 0 HA GLN B 100 16.807 2.292 -1.233 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.766 3.710 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.239 2.024 -1.080 1.00 0.00 H new ATOM 0 HG2 GLN B 100 19.904 2.235 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.331 3.891 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN B 100 21.416 4.746 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN B 100 22.713 4.708 -2.729 1.00 0.00 H new ATOM 1178 N TYR B 101 17.029 3.531 -4.261 1.00 0.00 N ATOM 1179 CA TYR B 101 16.528 4.542 -5.184 1.00 0.00 C ATOM 1180 C TYR B 101 15.007 4.487 -5.314 1.00 0.00 C ATOM 1181 O TYR B 101 14.355 5.524 -5.426 1.00 0.00 O ATOM 1182 CB TYR B 101 17.176 4.365 -6.561 1.00 0.00 C ATOM 1183 CG TYR B 101 16.722 5.384 -7.581 1.00 0.00 C ATOM 1184 CD1 TYR B 101 17.291 6.650 -7.625 1.00 0.00 C ATOM 1185 CD2 TYR B 101 15.726 5.079 -8.500 1.00 0.00 C ATOM 1186 CE1 TYR B 101 16.876 7.585 -8.554 1.00 0.00 C ATOM 1187 CE2 TYR B 101 15.308 6.007 -9.430 1.00 0.00 C ATOM 1188 CZ TYR B 101 15.885 7.257 -9.456 1.00 0.00 C ATOM 1189 OH TYR B 101 15.467 8.183 -10.386 1.00 0.00 O ATOM 0 H TYR B 101 17.569 2.791 -4.709 1.00 0.00 H new ATOM 0 HA TYR B 101 16.793 5.519 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR B 101 18.259 4.428 -6.454 1.00 0.00 H new ATOM 0 HB3 TYR B 101 16.950 3.366 -6.933 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.070 6.908 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR B 101 15.272 4.099 -8.486 1.00 0.00 H new ATOM 0 HE1 TYR B 101 17.325 8.567 -8.574 1.00 0.00 H new ATOM 0 HE2 TYR B 101 14.531 5.754 -10.136 1.00 0.00 H new ATOM 0 HH TYR B 101 14.764 7.791 -10.945 1.00 0.00 H new ATOM 1199 N ARG B 102 14.440 3.289 -5.306 1.00 0.00 N ATOM 1200 CA ARG B 102 12.998 3.146 -5.476 1.00 0.00 C ATOM 1201 C ARG B 102 12.252 3.526 -4.199 1.00 0.00 C ATOM 1202 O ARG B 102 11.080 3.883 -4.249 1.00 0.00 O ATOM 1203 CB ARG B 102 12.624 1.726 -5.914 1.00 0.00 C ATOM 1204 CG ARG B 102 12.998 0.655 -4.911 1.00 0.00 C ATOM 1205 CD ARG B 102 12.671 -0.736 -5.422 1.00 0.00 C ATOM 1206 NE ARG B 102 11.235 -0.985 -5.470 1.00 0.00 N ATOM 1207 CZ ARG B 102 10.688 -2.190 -5.325 1.00 0.00 C ATOM 1208 NH1 ARG B 102 11.458 -3.259 -5.147 1.00 0.00 N ATOM 1209 NH2 ARG B 102 9.372 -2.321 -5.364 1.00 0.00 N ATOM 0 H ARG B 102 14.947 2.412 -5.185 1.00 0.00 H new ATOM 0 HA ARG B 102 12.695 3.833 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG B 102 11.550 1.683 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG B 102 13.114 1.508 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG B 102 14.064 0.720 -4.691 1.00 0.00 H new ATOM 0 HG3 ARG B 102 12.468 0.832 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG B 102 13.093 -0.863 -6.419 1.00 0.00 H new ATOM 0 HD3 ARG B 102 13.145 -1.478 -4.779 1.00 0.00 H new ATOM 0 HE ARG B 102 10.614 -0.190 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG B 102 12.473 -3.158 -5.121 1.00 0.00 H new ATOM 0 HH12 ARG B 102 11.034 -4.180 -5.036 1.00 0.00 H new ATOM 0 HH21 ARG B 102 8.782 -1.501 -5.505 1.00 0.00 H new ATOM 0 HH22 ARG B 102 8.948 -3.242 -5.253 1.00 0.00 H new ATOM 1223 N VAL B 103 12.932 3.472 -3.062 1.00 0.00 N ATOM 1224 CA VAL B 103 12.301 3.815 -1.792 1.00 0.00 C ATOM 1225 C VAL B 103 12.024 5.318 -1.714 1.00 0.00 C ATOM 1226 O VAL B 103 10.943 5.728 -1.303 1.00 0.00 O ATOM 1227 CB VAL B 103 13.167 3.378 -0.590 1.00 0.00 C ATOM 1228 CG1 VAL B 103 12.440 3.578 0.723 1.00 0.00 C ATOM 1229 CG2 VAL B 103 13.593 1.931 -0.719 1.00 0.00 C ATOM 0 H VAL B 103 13.912 3.197 -2.991 1.00 0.00 H new ATOM 0 HA VAL B 103 11.356 3.275 -1.744 1.00 0.00 H new ATOM 0 HB VAL B 103 14.055 4.010 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL B 103 13.080 3.260 1.546 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.191 4.632 0.844 1.00 0.00 H new ATOM 0 HG13 VAL B 103 11.525 2.986 0.726 1.00 0.00 H new ATOM 0 HG21 VAL B 103 14.201 1.653 0.142 1.00 0.00 H new ATOM 0 HG22 VAL B 103 12.710 1.294 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL B 103 14.176 1.803 -1.631 1.00 0.00 H new ATOM 1239 N GLU B 104 12.993 6.136 -2.124 1.00 0.00 N ATOM 1240 CA GLU B 104 12.807 7.589 -2.127 1.00 0.00 C ATOM 1241 C GLU B 104 11.715 8.030 -3.095 1.00 0.00 C ATOM 1242 O GLU B 104 10.928 8.918 -2.770 1.00 0.00 O ATOM 1243 CB GLU B 104 14.112 8.334 -2.422 1.00 0.00 C ATOM 1244 CG GLU B 104 15.007 7.645 -3.429 1.00 0.00 C ATOM 1245 CD GLU B 104 16.194 8.495 -3.825 1.00 0.00 C ATOM 1246 OE1 GLU B 104 17.138 8.621 -3.018 1.00 0.00 O ATOM 1247 OE2 GLU B 104 16.186 9.047 -4.947 1.00 0.00 O ATOM 0 H GLU B 104 13.906 5.823 -2.455 1.00 0.00 H new ATOM 0 HA GLU B 104 12.486 7.853 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.872 9.332 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.663 8.461 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.362 6.703 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.427 7.400 -4.318 1.00 0.00 H new ATOM 1254 N VAL B 105 11.654 7.431 -4.281 1.00 0.00 N ATOM 1255 CA VAL B 105 10.552 7.735 -5.187 1.00 0.00 C ATOM 1256 C VAL B 105 9.230 7.308 -4.560 1.00 0.00 C ATOM 1257 O VAL B 105 8.262 8.053 -4.600 1.00 0.00 O ATOM 1258 CB VAL B 105 10.721 7.119 -6.607 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.557 5.860 -6.580 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.379 6.820 -7.251 1.00 0.00 C ATOM 0 H VAL B 105 12.332 6.753 -4.629 1.00 0.00 H new ATOM 0 HA VAL B 105 10.556 8.815 -5.334 1.00 0.00 H new ATOM 0 HB VAL B 105 11.240 7.868 -7.204 1.00 0.00 H new ATOM 0 HG11 VAL B 105 11.650 5.463 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.548 6.089 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.077 5.118 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL B 105 9.538 6.391 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL B 105 8.828 6.111 -6.632 1.00 0.00 H new ATOM 0 HG23 VAL B 105 8.806 7.743 -7.343 1.00 0.00 H new ATOM 1270 N GLN B 106 9.208 6.134 -3.935 1.00 0.00 N ATOM 1271 CA GLN B 106 8.003 5.661 -3.263 1.00 0.00 C ATOM 1272 C GLN B 106 7.600 6.609 -2.135 1.00 0.00 C ATOM 1273 O GLN B 106 6.426 6.928 -1.986 1.00 0.00 O ATOM 1274 CB GLN B 106 8.195 4.237 -2.733 1.00 0.00 C ATOM 1275 CG GLN B 106 8.218 3.180 -3.827 1.00 0.00 C ATOM 1276 CD GLN B 106 7.025 3.267 -4.761 1.00 0.00 C ATOM 1277 OE1 GLN B 106 7.168 4.025 -5.837 1.00 0.00 O flip ATOM 1278 NE2 GLN B 106 5.986 2.650 -4.526 1.00 0.00 N flip ATOM 0 H GLN B 106 10.004 5.498 -3.880 1.00 0.00 H new ATOM 0 HA GLN B 106 7.196 5.643 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.129 4.189 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN B 106 7.392 4.007 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.135 3.285 -4.407 1.00 0.00 H new ATOM 0 HG3 GLN B 106 8.242 2.191 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN B 106 5.913 2.076 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN B 106 5.198 2.713 -5.171 1.00 0.00 H new ATOM 1287 N ASN B 107 8.585 7.068 -1.366 1.00 0.00 N ATOM 1288 CA ASN B 107 8.368 8.075 -0.318 1.00 0.00 C ATOM 1289 C ASN B 107 7.608 9.285 -0.874 1.00 0.00 C ATOM 1290 O ASN B 107 6.701 9.820 -0.240 1.00 0.00 O ATOM 1291 CB ASN B 107 9.718 8.527 0.247 1.00 0.00 C ATOM 1292 CG ASN B 107 9.584 9.579 1.332 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.603 9.609 2.076 1.00 0.00 O ATOM 1294 ND2 ASN B 107 10.571 10.455 1.425 1.00 0.00 N ATOM 0 H ASN B 107 9.553 6.757 -1.447 1.00 0.00 H new ATOM 0 HA ASN B 107 7.769 7.627 0.475 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.245 7.662 0.650 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.330 8.924 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.536 11.189 2.132 1.00 0.00 H new ATOM 0 HD22 ASN B 107 11.367 10.396 0.790 1.00 0.00 H new ATOM 1301 N ARG B 108 7.973 9.696 -2.079 1.00 0.00 N ATOM 1302 CA ARG B 108 7.367 10.857 -2.712 1.00 0.00 C ATOM 1303 C ARG B 108 6.028 10.505 -3.362 1.00 0.00 C ATOM 1304 O ARG B 108 5.029 11.200 -3.170 1.00 0.00 O ATOM 1305 CB ARG B 108 8.330 11.425 -3.750 1.00 0.00 C ATOM 1306 CG ARG B 108 9.614 11.963 -3.138 1.00 0.00 C ATOM 1307 CD ARG B 108 10.589 12.451 -4.195 1.00 0.00 C ATOM 1308 NE ARG B 108 11.845 12.906 -3.600 1.00 0.00 N ATOM 1309 CZ ARG B 108 12.822 13.507 -4.278 1.00 0.00 C ATOM 1310 NH1 ARG B 108 12.698 13.728 -5.583 1.00 0.00 N ATOM 1311 NH2 ARG B 108 13.930 13.883 -3.653 1.00 0.00 N ATOM 0 H ARG B 108 8.691 9.239 -2.641 1.00 0.00 H new ATOM 0 HA ARG B 108 7.170 11.607 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.577 10.647 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG B 108 7.833 12.225 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.376 12.782 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.086 11.182 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG B 108 10.791 11.647 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG B 108 10.137 13.266 -4.759 1.00 0.00 H new ATOM 0 HE ARG B 108 11.982 12.753 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG B 108 11.851 13.437 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG B 108 13.450 14.189 -6.096 1.00 0.00 H new ATOM 0 HH21 ARG B 108 14.034 13.712 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG B 108 14.678 14.343 -4.173 1.00 0.00 H new ATOM 1325 N VAL B 109 6.025 9.427 -4.133 1.00 0.00 N ATOM 1326 CA VAL B 109 4.828 8.958 -4.830 1.00 0.00 C ATOM 1327 C VAL B 109 3.709 8.618 -3.858 1.00 0.00 C ATOM 1328 O VAL B 109 2.560 8.996 -4.070 1.00 0.00 O ATOM 1329 CB VAL B 109 5.128 7.720 -5.698 1.00 0.00 C ATOM 1330 CG1 VAL B 109 3.861 7.192 -6.354 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.173 8.058 -6.744 1.00 0.00 C ATOM 0 H VAL B 109 6.851 8.850 -4.295 1.00 0.00 H new ATOM 0 HA VAL B 109 4.506 9.778 -5.472 1.00 0.00 H new ATOM 0 HB VAL B 109 5.520 6.934 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.102 6.319 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.142 6.912 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.430 7.966 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.378 7.177 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL B 109 5.803 8.861 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.090 8.380 -6.251 1.00 0.00 H new ATOM 1341 N TYR B 110 4.047 7.907 -2.795 1.00 0.00 N ATOM 1342 CA TYR B 110 3.060 7.523 -1.794 1.00 0.00 C ATOM 1343 C TYR B 110 2.419 8.752 -1.157 1.00 0.00 C ATOM 1344 O TYR B 110 1.234 8.741 -0.825 1.00 0.00 O ATOM 1345 CB TYR B 110 3.685 6.634 -0.715 1.00 0.00 C ATOM 1346 CG TYR B 110 3.900 5.188 -1.120 1.00 0.00 C ATOM 1347 CD1 TYR B 110 4.645 4.338 -0.313 1.00 0.00 C ATOM 1348 CD2 TYR B 110 3.346 4.663 -2.285 1.00 0.00 C ATOM 1349 CE1 TYR B 110 4.834 3.012 -0.650 1.00 0.00 C ATOM 1350 CE2 TYR B 110 3.534 3.338 -2.629 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.276 2.517 -1.807 1.00 0.00 C ATOM 1352 OH TYR B 110 4.457 1.195 -2.143 1.00 0.00 O ATOM 0 H TYR B 110 4.995 7.584 -2.601 1.00 0.00 H new ATOM 0 HA TYR B 110 2.283 6.952 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.645 7.061 -0.425 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.046 6.657 0.168 1.00 0.00 H new ATOM 0 HD1 TYR B 110 5.085 4.721 0.596 1.00 0.00 H new ATOM 0 HD2 TYR B 110 2.760 5.302 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR B 110 5.417 2.367 -0.009 1.00 0.00 H new ATOM 0 HE2 TYR B 110 3.101 2.947 -3.538 1.00 0.00 H new ATOM 0 HH TYR B 110 3.998 1.006 -2.988 1.00 0.00 H new ATOM 1362 N LYS B 111 3.195 9.818 -1.003 1.00 0.00 N ATOM 1363 CA LYS B 111 2.658 11.066 -0.480 1.00 0.00 C ATOM 1364 C LYS B 111 1.687 11.669 -1.489 1.00 0.00 C ATOM 1365 O LYS B 111 0.673 12.257 -1.120 1.00 0.00 O ATOM 1366 CB LYS B 111 3.786 12.052 -0.167 1.00 0.00 C ATOM 1367 CG LYS B 111 3.321 13.278 0.599 1.00 0.00 C ATOM 1368 CD LYS B 111 4.487 14.180 0.965 1.00 0.00 C ATOM 1369 CE LYS B 111 4.041 15.338 1.843 1.00 0.00 C ATOM 1370 NZ LYS B 111 3.053 16.214 1.159 1.00 0.00 N ATOM 0 H LYS B 111 4.189 9.843 -1.231 1.00 0.00 H new ATOM 0 HA LYS B 111 2.125 10.859 0.448 1.00 0.00 H new ATOM 0 HB2 LYS B 111 4.555 11.541 0.412 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.250 12.370 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS B 111 2.604 13.835 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS B 111 2.802 12.967 1.505 1.00 0.00 H new ATOM 0 HD2 LYS B 111 5.248 13.599 1.486 1.00 0.00 H new ATOM 0 HD3 LYS B 111 4.948 14.567 0.056 1.00 0.00 H new ATOM 0 HE2 LYS B 111 3.603 14.947 2.762 1.00 0.00 H new ATOM 0 HE3 LYS B 111 4.910 15.929 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 2.867 17.052 1.746 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 3.433 16.513 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 2.167 15.690 1.013 1.00 0.00 H new ATOM 1384 N LYS B 112 2.001 11.491 -2.766 1.00 0.00 N ATOM 1385 CA LYS B 112 1.144 11.956 -3.850 1.00 0.00 C ATOM 1386 C LYS B 112 -0.146 11.141 -3.904 1.00 0.00 C ATOM 1387 O LYS B 112 -1.193 11.638 -4.322 1.00 0.00 O ATOM 1388 CB LYS B 112 1.897 11.863 -5.178 1.00 0.00 C ATOM 1389 CG LYS B 112 3.068 12.827 -5.267 1.00 0.00 C ATOM 1390 CD LYS B 112 4.019 12.472 -6.397 1.00 0.00 C ATOM 1391 CE LYS B 112 3.328 12.481 -7.749 1.00 0.00 C ATOM 1392 NZ LYS B 112 4.291 12.306 -8.868 1.00 0.00 N ATOM 0 H LYS B 112 2.852 11.023 -3.079 1.00 0.00 H new ATOM 0 HA LYS B 112 0.876 12.997 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.261 10.844 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.205 12.064 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS B 112 2.692 13.839 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS B 112 3.612 12.824 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS B 112 4.847 13.180 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.446 11.486 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS B 112 2.585 11.684 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS B 112 2.792 13.422 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 3.778 12.318 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 4.985 13.081 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 4.785 11.397 -8.762 1.00 0.00 H new ATOM 1406 N GLU B 113 -0.062 9.884 -3.486 1.00 0.00 N ATOM 1407 CA GLU B 113 -1.245 9.037 -3.359 1.00 0.00 C ATOM 1408 C GLU B 113 -2.190 9.621 -2.322 1.00 0.00 C ATOM 1409 O GLU B 113 -3.383 9.777 -2.567 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.860 7.622 -2.950 1.00 0.00 C ATOM 1411 CG GLU B 113 0.112 6.963 -3.908 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.429 6.876 -5.318 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -0.097 7.747 -6.150 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -1.195 5.933 -5.602 1.00 0.00 O ATOM 0 H GLU B 113 0.813 9.427 -3.229 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.740 8.998 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.417 7.647 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.762 7.013 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU B 113 1.046 7.525 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.346 5.960 -3.550 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.626 9.959 -1.169 1.00 0.00 N ATOM 1422 CA ILE B 114 -2.376 10.532 -0.062 1.00 0.00 C ATOM 1423 C ILE B 114 -3.106 11.811 -0.469 1.00 0.00 C ATOM 1424 O ILE B 114 -4.180 12.110 0.051 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.422 10.810 1.113 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.836 9.487 1.598 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -2.124 11.550 2.243 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.171 9.638 2.709 1.00 0.00 C ATOM 0 H ILE B 114 -0.631 9.842 -0.976 1.00 0.00 H new ATOM 0 HA ILE B 114 -3.135 9.812 0.243 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.616 11.459 0.770 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.647 8.845 1.941 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.362 8.980 0.757 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.419 11.728 3.055 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.501 12.504 1.874 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.955 10.948 2.611 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.542 8.655 3.000 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.003 10.253 2.365 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.303 10.115 3.567 1.00 0.00 H new ATOM 1440 N GLN B 115 -2.531 12.549 -1.407 1.00 0.00 N ATOM 1441 CA GLN B 115 -3.152 13.767 -1.914 1.00 0.00 C ATOM 1442 C GLN B 115 -4.428 13.435 -2.675 1.00 0.00 C ATOM 1443 O GLN B 115 -5.463 14.082 -2.498 1.00 0.00 O ATOM 1444 CB GLN B 115 -2.181 14.503 -2.824 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.836 14.739 -2.175 1.00 0.00 C ATOM 1446 CD GLN B 115 0.067 15.623 -3.012 1.00 0.00 C ATOM 1447 OE1 GLN B 115 0.859 15.138 -3.823 1.00 0.00 O ATOM 1448 NE2 GLN B 115 -0.064 16.926 -2.845 1.00 0.00 N ATOM 0 H GLN B 115 -1.632 12.326 -1.835 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.406 14.408 -1.070 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -2.042 13.929 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -2.614 15.461 -3.111 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -0.984 15.198 -1.198 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -0.345 13.781 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -0.731 17.288 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN B 115 0.502 17.570 -3.398 1.00 0.00 H new ATOM 1457 N ALA B 116 -4.340 12.417 -3.518 1.00 0.00 N ATOM 1458 CA ALA B 116 -5.499 11.915 -4.249 1.00 0.00 C ATOM 1459 C ALA B 116 -6.538 11.376 -3.278 1.00 0.00 C ATOM 1460 O ALA B 116 -7.738 11.624 -3.415 1.00 0.00 O ATOM 1461 CB ALA B 116 -5.079 10.823 -5.219 1.00 0.00 C ATOM 0 H ALA B 116 -3.473 11.918 -3.715 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.936 12.738 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.954 10.458 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -4.358 11.226 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.624 10.001 -4.667 1.00 0.00 H new ATOM 1467 N LEU B 117 -6.053 10.649 -2.281 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.905 10.073 -1.255 1.00 0.00 C ATOM 1469 C LEU B 117 -7.548 11.174 -0.419 1.00 0.00 C ATOM 1470 O LEU B 117 -8.634 11.001 0.122 1.00 0.00 O ATOM 1471 CB LEU B 117 -6.087 9.138 -0.359 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.306 8.045 -1.097 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -4.623 7.121 -0.110 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -6.206 7.248 -2.028 1.00 0.00 C ATOM 0 H LEU B 117 -5.061 10.443 -2.162 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.695 9.498 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.384 9.738 0.219 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.761 8.662 0.354 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.547 8.537 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -4.074 6.351 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.931 7.695 0.507 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.372 6.651 0.527 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.619 6.482 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.999 6.774 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.646 7.916 -2.768 1.00 0.00 H new ATOM 1486 N ASP B 118 -6.871 12.312 -0.339 1.00 0.00 N ATOM 1487 CA ASP B 118 -7.360 13.462 0.418 1.00 0.00 C ATOM 1488 C ASP B 118 -8.604 14.056 -0.239 1.00 0.00 C ATOM 1489 O ASP B 118 -9.478 14.603 0.435 1.00 0.00 O ATOM 1490 CB ASP B 118 -6.259 14.518 0.534 1.00 0.00 C ATOM 1491 CG ASP B 118 -6.714 15.774 1.244 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -6.784 15.766 2.489 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -6.975 16.785 0.558 1.00 0.00 O ATOM 0 H ASP B 118 -5.971 12.466 -0.794 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.635 13.127 1.418 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -5.410 14.092 1.069 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -5.908 14.779 -0.464 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.685 13.941 -1.557 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.882 14.349 -2.277 1.00 0.00 C ATOM 1500 C ALA B 119 -11.038 13.428 -1.904 1.00 0.00 C ATOM 1501 O ALA B 119 -12.190 13.852 -1.792 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.635 14.329 -3.778 1.00 0.00 C ATOM 0 H ALA B 119 -7.940 13.570 -2.147 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.140 15.370 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.541 14.637 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.824 15.015 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -9.362 13.320 -4.088 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.711 12.161 -1.691 1.00 0.00 N ATOM 1509 CA GLU B 120 -11.681 11.189 -1.220 1.00 0.00 C ATOM 1510 C GLU B 120 -11.971 11.414 0.263 1.00 0.00 C ATOM 1511 O GLU B 120 -13.010 11.034 0.761 1.00 0.00 O ATOM 1512 CB GLU B 120 -11.209 9.760 -1.459 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.937 9.416 -2.918 1.00 0.00 C ATOM 1514 CD GLU B 120 -12.133 9.583 -3.834 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -12.711 8.564 -4.257 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -12.494 10.735 -4.147 1.00 0.00 O ATOM 0 H GLU B 120 -9.775 11.783 -1.839 1.00 0.00 H new ATOM 0 HA GLU B 120 -12.599 11.330 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -10.298 9.591 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -11.962 9.073 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.125 10.046 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -10.591 8.384 -2.977 1.00 0.00 H new ATOM 1523 N ILE B 121 -11.040 11.994 0.995 1.00 0.00 N ATOM 1524 CA ILE B 121 -11.340 12.392 2.363 1.00 0.00 C ATOM 1525 C ILE B 121 -12.617 13.232 2.389 1.00 0.00 C ATOM 1526 O ILE B 121 -13.418 13.127 3.312 1.00 0.00 O ATOM 1527 CB ILE B 121 -10.160 13.146 3.024 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -9.384 12.200 3.937 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -10.636 14.361 3.807 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -8.855 10.971 3.238 1.00 0.00 C ATOM 0 H ILE B 121 -10.092 12.198 0.679 1.00 0.00 H new ATOM 0 HA ILE B 121 -11.497 11.488 2.951 1.00 0.00 H new ATOM 0 HB ILE B 121 -9.504 13.503 2.230 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -8.548 12.742 4.379 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -10.032 11.889 4.757 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -9.779 14.863 4.256 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -11.149 15.049 3.135 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -11.322 14.042 4.592 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -8.316 10.349 3.953 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.687 10.404 2.819 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -8.180 11.271 2.436 1.00 0.00 H new ATOM 1542 N ARG B 122 -12.826 14.015 1.335 1.00 0.00 N ATOM 1543 CA ARG B 122 -14.040 14.803 1.202 1.00 0.00 C ATOM 1544 C ARG B 122 -15.262 13.892 1.035 1.00 0.00 C ATOM 1545 O ARG B 122 -16.275 14.094 1.705 1.00 0.00 O ATOM 1546 CB ARG B 122 -13.919 15.771 0.026 1.00 0.00 C ATOM 1547 CG ARG B 122 -15.082 16.740 -0.099 1.00 0.00 C ATOM 1548 CD ARG B 122 -14.819 17.776 -1.179 1.00 0.00 C ATOM 1549 NE ARG B 122 -14.595 17.159 -2.485 1.00 0.00 N ATOM 1550 CZ ARG B 122 -13.481 17.307 -3.205 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -12.477 18.047 -2.748 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -13.375 16.712 -4.386 1.00 0.00 N ATOM 0 H ARG B 122 -12.168 14.119 0.562 1.00 0.00 H new ATOM 0 HA ARG B 122 -14.176 15.385 2.113 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -12.995 16.340 0.131 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.837 15.197 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -15.994 16.190 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -15.247 17.240 0.856 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -15.666 18.459 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -13.949 18.372 -0.905 1.00 0.00 H new ATOM 0 HE ARG B 122 -15.339 16.577 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -12.554 18.507 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -11.629 18.155 -3.304 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -14.144 16.143 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -12.525 16.823 -4.939 1.00 0.00 H new ATOM 1566 N LYS B 123 -15.166 12.883 0.155 1.00 0.00 N ATOM 1567 CA LYS B 123 -16.243 11.918 -0.018 1.00 0.00 C ATOM 1568 C LYS B 123 -16.545 11.234 1.312 1.00 0.00 C ATOM 1569 O LYS B 123 -17.701 11.010 1.670 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.863 10.867 -1.079 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.926 9.775 -0.579 1.00 0.00 C ATOM 1572 CD LYS B 123 -14.377 8.878 -1.675 1.00 0.00 C ATOM 1573 CE LYS B 123 -15.483 8.242 -2.483 1.00 0.00 C ATOM 1574 NZ LYS B 123 -14.955 7.423 -3.606 1.00 0.00 N ATOM 0 H LYS B 123 -14.354 12.722 -0.441 1.00 0.00 H new ATOM 0 HA LYS B 123 -17.133 12.446 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.775 10.402 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -15.393 11.374 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -14.092 10.240 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.457 9.160 0.147 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.734 9.461 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -13.757 8.099 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -16.092 7.614 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -16.136 9.020 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -15.733 7.174 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -14.237 7.968 -4.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -14.525 6.554 -3.230 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.482 10.914 2.032 1.00 0.00 N ATOM 1589 CA LEU B 124 -15.582 10.294 3.336 1.00 0.00 C ATOM 1590 C LEU B 124 -16.291 11.207 4.324 1.00 0.00 C ATOM 1591 O LEU B 124 -17.259 10.791 4.951 1.00 0.00 O ATOM 1592 CB LEU B 124 -14.193 9.917 3.851 1.00 0.00 C ATOM 1593 CG LEU B 124 -13.500 8.793 3.074 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -12.084 8.584 3.585 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -14.300 7.511 3.188 1.00 0.00 C ATOM 0 H LEU B 124 -14.524 11.079 1.724 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.176 9.386 3.237 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -13.558 10.803 3.823 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.278 9.618 4.896 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.445 9.079 2.024 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.608 7.782 3.021 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.513 9.504 3.460 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -12.114 8.316 4.641 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.799 6.719 2.632 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.380 7.224 4.237 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -15.298 7.667 2.777 1.00 0.00 H new ATOM 1607 N GLU B 125 -15.828 12.455 4.443 1.00 0.00 N ATOM 1608 CA GLU B 125 -16.418 13.404 5.390 1.00 0.00 C ATOM 1609 C GLU B 125 -17.912 13.569 5.142 1.00 0.00 C ATOM 1610 O GLU B 125 -18.686 13.728 6.085 1.00 0.00 O ATOM 1611 CB GLU B 125 -15.746 14.775 5.316 1.00 0.00 C ATOM 1612 CG GLU B 125 -14.257 14.768 5.619 1.00 0.00 C ATOM 1613 CD GLU B 125 -13.681 16.167 5.668 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -13.739 16.802 6.742 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -13.172 16.644 4.633 1.00 0.00 O ATOM 0 H GLU B 125 -15.051 12.829 3.899 1.00 0.00 H new ATOM 0 HA GLU B 125 -16.258 12.989 6.385 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -15.898 15.186 4.318 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -16.243 15.447 6.016 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -14.084 14.271 6.574 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -13.735 14.188 4.858 1.00 0.00 H new ATOM 1622 N ARG B 126 -18.308 13.525 3.872 1.00 0.00 N ATOM 1623 CA ARG B 126 -19.719 13.602 3.505 1.00 0.00 C ATOM 1624 C ARG B 126 -20.516 12.532 4.236 1.00 0.00 C ATOM 1625 O ARG B 126 -21.535 12.820 4.864 1.00 0.00 O ATOM 1626 CB ARG B 126 -19.895 13.433 1.993 1.00 0.00 C ATOM 1627 CG ARG B 126 -19.261 14.542 1.170 1.00 0.00 C ATOM 1628 CD ARG B 126 -19.943 15.878 1.411 1.00 0.00 C ATOM 1629 NE ARG B 126 -21.333 15.875 0.953 1.00 0.00 N ATOM 1630 CZ ARG B 126 -22.088 16.967 0.859 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -21.594 18.152 1.202 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -23.337 16.875 0.420 1.00 0.00 N ATOM 0 H ARG B 126 -17.671 13.436 3.080 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.091 14.585 3.795 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -19.463 12.479 1.692 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -20.960 13.388 1.764 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -18.203 14.622 1.421 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -19.319 14.289 0.111 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -19.912 16.114 2.475 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -19.393 16.664 0.894 1.00 0.00 H new ATOM 0 HE ARG B 126 -21.749 14.981 0.690 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -20.634 18.226 1.538 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -22.175 18.987 1.129 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -23.719 15.967 0.154 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -23.915 17.712 0.348 1.00 0.00 H new ATOM 1646 N LEU B 127 -20.025 11.303 4.173 1.00 0.00 N ATOM 1647 CA LEU B 127 -20.688 10.176 4.810 1.00 0.00 C ATOM 1648 C LEU B 127 -20.452 10.183 6.318 1.00 0.00 C ATOM 1649 O LEU B 127 -21.348 9.849 7.090 1.00 0.00 O ATOM 1650 CB LEU B 127 -20.206 8.852 4.204 1.00 0.00 C ATOM 1651 CG LEU B 127 -20.851 8.442 2.870 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -22.357 8.300 3.022 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -20.521 9.434 1.765 1.00 0.00 C ATOM 0 H LEU B 127 -19.164 11.061 3.683 1.00 0.00 H new ATOM 0 HA LEU B 127 -21.759 10.273 4.631 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -19.128 8.914 4.058 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -20.384 8.058 4.929 1.00 0.00 H new ATOM 0 HG LEU B 127 -20.436 7.475 2.587 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -22.793 8.009 2.066 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -22.577 7.537 3.768 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -22.782 9.252 3.340 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -20.993 9.114 0.836 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -20.893 10.421 2.039 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -19.441 9.479 1.627 1.00 0.00 H new ATOM 1665 N LEU B 128 -19.245 10.562 6.728 1.00 0.00 N ATOM 1666 CA LEU B 128 -18.900 10.675 8.143 1.00 0.00 C ATOM 1667 C LEU B 128 -19.903 11.555 8.869 1.00 0.00 C ATOM 1668 O LEU B 128 -20.531 11.131 9.841 1.00 0.00 O ATOM 1669 CB LEU B 128 -17.501 11.267 8.307 1.00 0.00 C ATOM 1670 CG LEU B 128 -16.370 10.436 7.713 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -15.029 11.074 8.023 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -16.421 9.008 8.221 1.00 0.00 C ATOM 0 H LEU B 128 -18.482 10.798 6.094 1.00 0.00 H new ATOM 0 HA LEU B 128 -18.922 9.674 8.574 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -17.486 12.254 7.846 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -17.306 11.409 9.370 1.00 0.00 H new ATOM 0 HG LEU B 128 -16.496 10.408 6.631 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -14.230 10.470 7.593 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -14.996 12.076 7.596 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -14.896 11.135 9.103 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -15.603 8.436 7.782 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -16.324 9.004 9.307 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -17.372 8.556 7.940 1.00 0.00 H new ATOM 1684 N GLU B 129 -20.053 12.775 8.375 1.00 0.00 N ATOM 1685 CA GLU B 129 -20.996 13.728 8.941 1.00 0.00 C ATOM 1686 C GLU B 129 -22.437 13.261 8.762 1.00 0.00 C ATOM 1687 O GLU B 129 -23.296 13.550 9.592 1.00 0.00 O ATOM 1688 CB GLU B 129 -20.812 15.097 8.293 1.00 0.00 C ATOM 1689 CG GLU B 129 -19.473 15.740 8.599 1.00 0.00 C ATOM 1690 CD GLU B 129 -19.378 17.151 8.062 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -20.134 18.022 8.543 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -18.543 17.399 7.167 1.00 0.00 O ATOM 0 H GLU B 129 -19.528 13.131 7.576 1.00 0.00 H new ATOM 0 HA GLU B 129 -20.794 13.801 10.010 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -20.918 14.995 7.213 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -21.609 15.759 8.631 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -19.317 15.753 9.678 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -18.675 15.135 8.168 1.00 0.00 H new ATOM 1699 N SER B 130 -22.695 12.541 7.677 1.00 0.00 N ATOM 1700 CA SER B 130 -24.028 12.014 7.407 1.00 0.00 C ATOM 1701 C SER B 130 -24.406 10.955 8.443 1.00 0.00 C ATOM 1702 O SER B 130 -25.586 10.719 8.707 1.00 0.00 O ATOM 1703 CB SER B 130 -24.092 11.431 5.991 1.00 0.00 C ATOM 1704 OG SER B 130 -25.408 11.022 5.651 1.00 0.00 O ATOM 0 H SER B 130 -21.999 12.308 6.969 1.00 0.00 H new ATOM 0 HA SER B 130 -24.746 12.831 7.477 1.00 0.00 H new ATOM 0 HB2 SER B 130 -23.746 12.176 5.275 1.00 0.00 H new ATOM 0 HB3 SER B 130 -23.416 10.579 5.917 1.00 0.00 H new ATOM 0 HG SER B 130 -25.412 10.657 4.742 1.00 0.00 H new ATOM 1710 N GLY B 131 -23.400 10.327 9.036 1.00 0.00 N ATOM 1711 CA GLY B 131 -23.646 9.367 10.090 1.00 0.00 C ATOM 1712 C GLY B 131 -23.214 7.960 9.737 1.00 0.00 C ATOM 1713 O GLY B 131 -23.622 7.000 10.391 1.00 0.00 O ATOM 0 H GLY B 131 -22.416 10.467 8.804 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -23.120 9.685 10.990 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -24.710 9.363 10.327 1.00 0.00 H new ATOM 1717 N LEU B 132 -22.388 7.829 8.709 1.00 0.00 N ATOM 1718 CA LEU B 132 -21.844 6.533 8.336 1.00 0.00 C ATOM 1719 C LEU B 132 -20.852 6.060 9.388 1.00 0.00 C ATOM 1720 O LEU B 132 -20.856 4.895 9.784 1.00 0.00 O ATOM 1721 CB LEU B 132 -21.152 6.618 6.978 1.00 0.00 C ATOM 1722 CG LEU B 132 -20.471 5.331 6.517 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -21.501 4.279 6.138 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -19.541 5.626 5.358 1.00 0.00 C ATOM 0 H LEU B 132 -22.081 8.603 8.120 1.00 0.00 H new ATOM 0 HA LEU B 132 -22.665 5.819 8.270 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -21.889 6.909 6.230 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -20.406 7.412 7.017 1.00 0.00 H new ATOM 0 HG LEU B 132 -19.881 4.931 7.342 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -20.992 3.372 5.813 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -22.127 4.054 7.002 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -22.124 4.656 5.327 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -19.059 4.704 5.035 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -20.113 6.046 4.531 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -18.781 6.341 5.674 1.00 0.00 H new ATOM 1736 N THR B 133 -20.004 6.974 9.832 1.00 0.00 N ATOM 1737 CA THR B 133 -19.018 6.676 10.851 1.00 0.00 C ATOM 1738 C THR B 133 -18.831 7.891 11.756 1.00 0.00 C ATOM 1739 O THR B 133 -19.406 7.904 12.865 1.00 0.00 O ATOM 1740 CB THR B 133 -17.665 6.280 10.225 1.00 0.00 C ATOM 1741 OG1 THR B 133 -17.860 5.262 9.231 1.00 0.00 O ATOM 1742 CG2 THR B 133 -16.703 5.771 11.289 1.00 0.00 C ATOM 1743 OXT THR B 133 -18.144 8.846 11.341 1.00 0.00 O ATOM 0 H THR B 133 -19.982 7.937 9.497 1.00 0.00 H new ATOM 0 HA THR B 133 -19.380 5.831 11.437 1.00 0.00 H new ATOM 0 HB THR B 133 -17.235 7.167 9.760 1.00 0.00 H new ATOM 0 HG1 THR B 133 -16.996 5.018 8.838 1.00 0.00 H new ATOM 0 HG21 THR B 133 -15.756 5.498 10.823 1.00 0.00 H new ATOM 0 HG22 THR B 133 -16.531 6.553 12.028 1.00 0.00 H new ATOM 0 HG23 THR B 133 -17.132 4.897 11.779 1.00 0.00 H new TER 1751 THR B 133