USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1036 hydrogens (44 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 MET CE :methyl 157:sc= -0.22 (180deg=-1.35!) USER MOD Set 1.2: A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.165 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0177 (180deg=-0.557) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -14.4! C(o=-14!,f=-21!) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -1.48 F(o=-4.2!,f=-1.5) USER MOD Single : A 12 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.14) USER MOD Single : A 20 SER OG : rot 24:sc= 0.113 USER MOD Single : A 24 GLN :FLIP amide:sc= -12.7! C(o=-14!,f=-13!) USER MOD Single : A 34 HIS : no HE2:sc= -0.135 K(o=-0.13,f=-1.8) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -2.03! C(o=-2!,f=-3.5!) USER MOD Single : A 45 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.2!) USER MOD Single : A 47 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.21! K(o=-0.21!,f=-1.6) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.133 F(o=-5.2!,f=-0.13) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.691 USER MOD Single : A 74 SER OG : rot 180:sc= -0.026 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.845 F(o=-4.1!,f=-0.84) USER MOD Single : A 89 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-4.9!) USER MOD Single : A 94 SER OG : rot 50:sc= -3.71! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.675 K(o=-0.67,f=-1.6) USER MOD Single : A 105 ASN : amide:sc= -3.23! C(o=-3.2!,f=-7.1!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 HIS :FLIP no HD1:sc= -3.05! C(o=-4!,f=-3!) USER MOD Single : A 501 C2E O2' : rot -15:sc= 0.202 USER MOD Single : A 501 C2E O2A : rot -25:sc= 0.186 USER MOD Single : A 502 C2E O2' : rot -22:sc= -0.374 USER MOD Single : A 502 C2E O2A : rot -19:sc= 0.288 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 109.757 23.727 13.152 1.00 0.00 N ATOM 2 CA MET A 1 109.469 22.583 14.063 1.00 0.00 C ATOM 3 C MET A 1 108.013 22.157 13.899 1.00 0.00 C ATOM 4 O MET A 1 107.324 22.614 12.988 1.00 0.00 O ATOM 5 CB MET A 1 109.729 23.013 15.508 1.00 0.00 C ATOM 6 CG MET A 1 111.067 23.753 15.592 1.00 0.00 C ATOM 7 SD MET A 1 112.369 22.737 14.848 1.00 0.00 S ATOM 8 CE MET A 1 112.314 21.382 16.046 1.00 0.00 C ATOM 0 H1 MET A 1 110.786 23.833 13.043 1.00 0.00 H new ATOM 0 H2 MET A 1 109.327 23.547 12.222 1.00 0.00 H new ATOM 0 H3 MET A 1 109.360 24.600 13.554 1.00 0.00 H new ATOM 0 HA MET A 1 110.116 21.741 13.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 108.923 23.658 15.856 1.00 0.00 H new ATOM 0 HB3 MET A 1 109.743 22.140 16.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 110.998 24.710 15.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 111.310 23.969 16.632 1.00 0.00 H new ATOM 0 HE1 MET A 1 113.267 20.852 16.040 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.128 21.784 17.042 1.00 0.00 H new ATOM 0 HE3 MET A 1 111.514 20.692 15.778 1.00 0.00 H new ATOM 18 N SER A 2 107.555 21.281 14.788 1.00 0.00 N ATOM 19 CA SER A 2 106.179 20.794 14.739 1.00 0.00 C ATOM 20 C SER A 2 106.004 19.773 13.615 1.00 0.00 C ATOM 21 O SER A 2 106.831 18.877 13.448 1.00 0.00 O ATOM 22 CB SER A 2 105.215 21.968 14.540 1.00 0.00 C ATOM 23 OG SER A 2 103.942 21.623 15.071 1.00 0.00 O ATOM 0 H SER A 2 108.114 20.894 15.549 1.00 0.00 H new ATOM 0 HA SER A 2 105.953 20.303 15.685 1.00 0.00 H new ATOM 0 HB2 SER A 2 105.600 22.859 15.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 105.128 22.207 13.480 1.00 0.00 H new ATOM 0 HG SER A 2 103.322 22.372 14.947 1.00 0.00 H new ATOM 29 N ASP A 3 104.945 19.942 12.820 1.00 0.00 N ATOM 30 CA ASP A 3 104.713 19.047 11.683 1.00 0.00 C ATOM 31 C ASP A 3 105.166 19.720 10.390 1.00 0.00 C ATOM 32 O ASP A 3 104.363 19.999 9.503 1.00 0.00 O ATOM 33 CB ASP A 3 103.251 18.604 11.598 1.00 0.00 C ATOM 34 CG ASP A 3 102.956 17.563 12.673 1.00 0.00 C ATOM 35 OD1 ASP A 3 103.161 16.390 12.405 1.00 0.00 O ATOM 36 OD2 ASP A 3 102.530 17.953 13.747 1.00 0.00 O ATOM 0 H ASP A 3 104.246 20.676 12.938 1.00 0.00 H new ATOM 0 HA ASP A 3 105.306 18.145 11.833 1.00 0.00 H new ATOM 0 HB2 ASP A 3 102.594 19.465 11.724 1.00 0.00 H new ATOM 0 HB3 ASP A 3 103.046 18.188 10.612 1.00 0.00 H new ATOM 41 N GLN A 4 106.466 19.993 10.317 1.00 0.00 N ATOM 42 CA GLN A 4 107.056 20.652 9.153 1.00 0.00 C ATOM 43 C GLN A 4 107.321 19.669 8.015 1.00 0.00 C ATOM 44 O GLN A 4 108.002 20.008 7.051 1.00 0.00 O ATOM 45 CB GLN A 4 108.369 21.325 9.547 1.00 0.00 C ATOM 46 CG GLN A 4 109.410 20.269 9.936 1.00 0.00 C ATOM 47 CD GLN A 4 108.879 19.401 11.071 1.00 0.00 C ATOM 48 OE1 GLN A 4 108.751 18.186 10.916 1.00 0.00 O ATOM 49 NE2 GLN A 4 108.552 19.956 12.206 1.00 0.00 N ATOM 0 H GLN A 4 107.135 19.767 11.053 1.00 0.00 H new ATOM 0 HA GLN A 4 106.340 21.395 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 4 108.742 21.925 8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 4 108.201 22.005 10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 4 109.648 19.647 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 4 110.336 20.756 10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 4 108.659 20.963 12.331 1.00 0.00 H new ATOM 0 HE22 GLN A 4 108.189 19.383 12.968 1.00 0.00 H new ATOM 58 N HIS A 5 106.774 18.463 8.134 1.00 0.00 N ATOM 59 CA HIS A 5 106.942 17.436 7.104 1.00 0.00 C ATOM 60 C HIS A 5 108.302 16.754 7.202 1.00 0.00 C ATOM 61 O HIS A 5 108.718 16.066 6.271 1.00 0.00 O ATOM 62 CB HIS A 5 106.777 18.040 5.703 1.00 0.00 C ATOM 63 CG HIS A 5 105.452 18.741 5.619 1.00 0.00 C ATOM 64 ND1 HIS A 5 104.582 19.160 6.591 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 104.869 19.089 4.411 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 103.473 19.759 6.002 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 103.696 19.691 4.687 1.00 0.00 N flip ATOM 0 H HIS A 5 106.210 18.170 8.932 1.00 0.00 H new ATOM 0 HA HIS A 5 106.168 16.687 7.272 1.00 0.00 H new ATOM 0 HB2 HIS A 5 107.586 18.741 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 5 106.836 17.257 4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 5 105.280 18.910 3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 5 102.616 20.187 6.501 1.00 0.00 H new ATOM 0 HE2 HIS A 5 103.056 20.051 3.979 1.00 0.00 H new ATOM 75 N ASP A 6 108.992 16.927 8.325 1.00 0.00 N ATOM 76 CA ASP A 6 110.293 16.289 8.483 1.00 0.00 C ATOM 77 C ASP A 6 110.166 14.814 8.118 1.00 0.00 C ATOM 78 O ASP A 6 109.170 14.175 8.460 1.00 0.00 O ATOM 79 CB ASP A 6 110.790 16.429 9.924 1.00 0.00 C ATOM 80 CG ASP A 6 111.280 17.852 10.174 1.00 0.00 C ATOM 81 OD1 ASP A 6 111.708 18.488 9.224 1.00 0.00 O ATOM 82 OD2 ASP A 6 111.221 18.286 11.313 1.00 0.00 O ATOM 0 H ASP A 6 108.683 17.488 9.119 1.00 0.00 H new ATOM 0 HA ASP A 6 111.014 16.774 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 6 109.987 16.185 10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 6 111.597 15.720 10.109 1.00 0.00 H new ATOM 87 N GLU A 7 111.147 14.274 7.408 1.00 0.00 N ATOM 88 CA GLU A 7 111.074 12.875 7.005 1.00 0.00 C ATOM 89 C GLU A 7 111.467 11.950 8.153 1.00 0.00 C ATOM 90 O GLU A 7 112.469 12.171 8.833 1.00 0.00 O ATOM 91 CB GLU A 7 111.946 12.626 5.761 1.00 0.00 C ATOM 92 CG GLU A 7 113.352 12.163 6.162 1.00 0.00 C ATOM 93 CD GLU A 7 113.328 10.693 6.572 1.00 0.00 C ATOM 94 OE1 GLU A 7 112.289 10.071 6.417 1.00 0.00 O ATOM 95 OE2 GLU A 7 114.349 10.211 7.035 1.00 0.00 O ATOM 0 H GLU A 7 111.985 14.769 7.104 1.00 0.00 H new ATOM 0 HA GLU A 7 110.040 12.648 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.477 11.872 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 7 112.014 13.540 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 7 114.040 12.304 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 7 113.721 12.772 6.987 1.00 0.00 H new ATOM 102 N ARG A 8 110.653 10.915 8.368 1.00 0.00 N ATOM 103 CA ARG A 8 110.902 9.955 9.441 1.00 0.00 C ATOM 104 C ARG A 8 110.998 8.530 8.893 1.00 0.00 C ATOM 105 O ARG A 8 111.329 7.600 9.630 1.00 0.00 O ATOM 106 CB ARG A 8 109.764 10.011 10.467 1.00 0.00 C ATOM 107 CG ARG A 8 109.958 11.186 11.438 1.00 0.00 C ATOM 108 CD ARG A 8 109.488 12.496 10.797 1.00 0.00 C ATOM 109 NE ARG A 8 108.148 12.355 10.236 1.00 0.00 N ATOM 110 CZ ARG A 8 107.331 13.401 10.136 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.711 14.572 10.571 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.152 13.259 9.599 1.00 0.00 N ATOM 0 H ARG A 8 109.818 10.722 7.814 1.00 0.00 H new ATOM 0 HA ARG A 8 111.848 10.220 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 8 108.809 10.114 9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 8 109.726 9.075 11.025 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.400 11.003 12.356 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.009 11.267 11.715 1.00 0.00 H new ATOM 0 HD2 ARG A 8 109.492 13.291 11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.185 12.791 10.013 1.00 0.00 H new ATOM 0 HE ARG A 8 107.832 11.440 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.635 14.686 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 8 107.084 15.373 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 8 105.855 12.346 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.526 14.061 9.523 1.00 0.00 H new ATOM 126 N ARG A 9 110.720 8.360 7.599 1.00 0.00 N ATOM 127 CA ARG A 9 110.794 7.033 6.978 1.00 0.00 C ATOM 128 C ARG A 9 111.966 6.975 6.007 1.00 0.00 C ATOM 129 O ARG A 9 111.847 7.370 4.846 1.00 0.00 O ATOM 130 CB ARG A 9 109.486 6.674 6.243 1.00 0.00 C ATOM 131 CG ARG A 9 108.745 7.939 5.811 1.00 0.00 C ATOM 132 CD ARG A 9 107.327 7.576 5.355 1.00 0.00 C ATOM 133 NE ARG A 9 106.514 8.787 5.221 1.00 0.00 N ATOM 134 CZ ARG A 9 106.180 9.279 4.027 1.00 0.00 C ATOM 135 NH1 ARG A 9 106.570 8.682 2.933 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.457 10.363 3.952 1.00 0.00 N ATOM 0 H ARG A 9 110.445 9.112 6.967 1.00 0.00 H new ATOM 0 HA ARG A 9 110.942 6.303 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.710 6.062 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 9 108.848 6.078 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 9 108.701 8.647 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.284 8.429 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.367 7.049 4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 9 106.868 6.898 6.075 1.00 0.00 H new ATOM 0 HE ARG A 9 106.195 9.267 6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 9 107.134 7.834 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 9 106.311 9.064 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.149 10.831 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.200 10.742 3.041 1.00 0.00 H new ATOM 150 N ARG A 10 113.099 6.481 6.507 1.00 0.00 N ATOM 151 CA ARG A 10 114.326 6.362 5.709 1.00 0.00 C ATOM 152 C ARG A 10 114.270 7.251 4.466 1.00 0.00 C ATOM 153 O ARG A 10 114.768 8.377 4.477 1.00 0.00 O ATOM 154 CB ARG A 10 114.578 4.895 5.302 1.00 0.00 C ATOM 155 CG ARG A 10 113.269 4.088 5.313 1.00 0.00 C ATOM 156 CD ARG A 10 113.062 3.456 6.692 1.00 0.00 C ATOM 157 NE ARG A 10 111.785 2.750 6.737 1.00 0.00 N ATOM 158 CZ ARG A 10 111.608 1.607 6.082 1.00 0.00 C ATOM 159 NH1 ARG A 10 112.582 1.101 5.377 1.00 0.00 N ATOM 160 NH2 ARG A 10 110.460 0.992 6.143 1.00 0.00 N ATOM 0 H ARG A 10 113.195 6.154 7.468 1.00 0.00 H new ATOM 0 HA ARG A 10 115.154 6.699 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.022 4.861 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.295 4.442 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 10 112.428 4.738 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.303 3.312 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 10 113.876 2.764 6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.086 4.228 7.461 1.00 0.00 H new ATOM 0 HE ARG A 10 111.015 3.141 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.480 1.582 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.446 0.224 4.875 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.698 1.388 6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.324 0.115 5.640 1.00 0.00 H new ATOM 174 N PHE A 11 113.663 6.743 3.397 1.00 0.00 N ATOM 175 CA PHE A 11 113.549 7.504 2.155 1.00 0.00 C ATOM 176 C PHE A 11 112.158 7.319 1.551 1.00 0.00 C ATOM 177 O PHE A 11 111.448 6.371 1.886 1.00 0.00 O ATOM 178 CB PHE A 11 114.626 7.036 1.161 1.00 0.00 C ATOM 179 CG PHE A 11 115.528 8.195 0.792 1.00 0.00 C ATOM 180 CD1 PHE A 11 115.014 9.276 0.069 1.00 0.00 C ATOM 181 CD2 PHE A 11 116.877 8.185 1.173 1.00 0.00 C ATOM 182 CE1 PHE A 11 115.845 10.348 -0.274 1.00 0.00 C ATOM 183 CE2 PHE A 11 117.708 9.261 0.828 1.00 0.00 C ATOM 184 CZ PHE A 11 117.191 10.341 0.105 1.00 0.00 C ATOM 0 H PHE A 11 113.245 5.813 3.365 1.00 0.00 H new ATOM 0 HA PHE A 11 113.697 8.562 2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 11 115.215 6.232 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 11 114.155 6.631 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 11 113.975 9.283 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 11 117.276 7.351 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 11 115.446 11.182 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 11 118.748 9.256 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 11 117.831 11.169 -0.160 1.00 0.00 H new ATOM 194 N HIS A 12 111.773 8.234 0.663 1.00 0.00 N ATOM 195 CA HIS A 12 110.462 8.165 0.023 1.00 0.00 C ATOM 196 C HIS A 12 110.095 6.721 -0.308 1.00 0.00 C ATOM 197 O HIS A 12 110.968 5.873 -0.498 1.00 0.00 O ATOM 198 CB HIS A 12 110.456 9.015 -1.254 1.00 0.00 C ATOM 199 CG HIS A 12 111.047 8.233 -2.398 1.00 0.00 C ATOM 200 ND1 HIS A 12 110.257 7.591 -3.339 1.00 0.00 N ATOM 201 CD2 HIS A 12 112.346 7.982 -2.765 1.00 0.00 C ATOM 202 CE1 HIS A 12 111.079 6.991 -4.218 1.00 0.00 C ATOM 203 NE2 HIS A 12 112.364 7.197 -3.915 1.00 0.00 N ATOM 0 H HIS A 12 112.346 9.026 0.372 1.00 0.00 H new ATOM 0 HA HIS A 12 109.719 8.557 0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 12 109.436 9.315 -1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 12 111.027 9.929 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 12 113.221 8.339 -2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 12 110.742 6.413 -5.066 1.00 0.00 H new ATOM 0 HE2 HIS A 12 113.182 6.853 -4.418 1.00 0.00 H new ATOM 211 N ARG A 13 108.794 6.451 -0.373 1.00 0.00 N ATOM 212 CA ARG A 13 108.306 5.109 -0.679 1.00 0.00 C ATOM 213 C ARG A 13 107.702 5.074 -2.080 1.00 0.00 C ATOM 214 O ARG A 13 107.156 6.072 -2.552 1.00 0.00 O ATOM 215 CB ARG A 13 107.248 4.690 0.351 1.00 0.00 C ATOM 216 CG ARG A 13 107.505 5.414 1.678 1.00 0.00 C ATOM 217 CD ARG A 13 106.478 4.965 2.726 1.00 0.00 C ATOM 218 NE ARG A 13 105.531 6.043 2.994 1.00 0.00 N ATOM 219 CZ ARG A 13 104.909 6.144 4.166 1.00 0.00 C ATOM 220 NH1 ARG A 13 105.133 5.266 5.107 1.00 0.00 N ATOM 221 NH2 ARG A 13 104.070 7.122 4.375 1.00 0.00 N ATOM 0 H ARG A 13 108.060 7.142 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 13 109.144 4.414 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.251 4.930 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.280 3.611 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 13 108.514 5.199 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 13 107.441 6.492 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.946 4.083 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.987 4.680 3.647 1.00 0.00 H new ATOM 0 HE ARG A 13 105.342 6.734 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 13 105.787 4.500 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 13 104.654 5.347 6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 13 103.892 7.807 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 13 103.592 7.201 5.273 1.00 0.00 H new ATOM 235 N ILE A 14 107.799 3.926 -2.740 1.00 0.00 N ATOM 236 CA ILE A 14 107.251 3.789 -4.084 1.00 0.00 C ATOM 237 C ILE A 14 105.783 4.182 -4.095 1.00 0.00 C ATOM 238 O ILE A 14 104.909 3.378 -3.772 1.00 0.00 O ATOM 239 CB ILE A 14 107.408 2.349 -4.578 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.872 2.096 -4.959 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.518 2.116 -5.805 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.759 2.190 -3.714 1.00 0.00 C ATOM 0 H ILE A 14 108.246 3.086 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 14 107.801 4.453 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 14 107.110 1.665 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.973 1.111 -5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.195 2.825 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.636 1.089 -6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.476 2.292 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.809 2.802 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.797 2.009 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.668 3.184 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.443 1.443 -2.985 1.00 0.00 H new ATOM 254 N ALA A 15 105.520 5.427 -4.464 1.00 0.00 N ATOM 255 CA ALA A 15 104.152 5.923 -4.511 1.00 0.00 C ATOM 256 C ALA A 15 103.575 5.795 -5.912 1.00 0.00 C ATOM 257 O ALA A 15 104.083 6.380 -6.868 1.00 0.00 O ATOM 258 CB ALA A 15 104.114 7.389 -4.087 1.00 0.00 C ATOM 0 H ALA A 15 106.230 6.108 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 15 103.552 5.323 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.087 7.752 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.495 7.484 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.733 7.979 -4.763 1.00 0.00 H new ATOM 264 N PHE A 16 102.488 5.047 -6.004 1.00 0.00 N ATOM 265 CA PHE A 16 101.792 4.849 -7.261 1.00 0.00 C ATOM 266 C PHE A 16 100.313 4.647 -6.966 1.00 0.00 C ATOM 267 O PHE A 16 99.957 4.215 -5.869 1.00 0.00 O ATOM 268 CB PHE A 16 102.383 3.657 -8.027 1.00 0.00 C ATOM 269 CG PHE A 16 101.975 2.343 -7.395 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.149 2.127 -6.021 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.441 1.327 -8.198 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.784 0.900 -5.454 1.00 0.00 C ATOM 273 CE2 PHE A 16 101.081 0.101 -7.630 1.00 0.00 C ATOM 274 CZ PHE A 16 101.252 -0.113 -6.259 1.00 0.00 C ATOM 0 H PHE A 16 102.066 4.562 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 16 101.914 5.725 -7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 16 102.047 3.685 -9.064 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.470 3.734 -8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.564 2.907 -5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 16 101.307 1.491 -9.257 1.00 0.00 H new ATOM 0 HE1 PHE A 16 101.913 0.735 -4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.670 -0.681 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.973 -1.060 -5.821 1.00 0.00 H new ATOM 284 N ASP A 17 99.446 4.979 -7.913 1.00 0.00 N ATOM 285 CA ASP A 17 98.012 4.840 -7.680 1.00 0.00 C ATOM 286 C ASP A 17 97.494 3.514 -8.219 1.00 0.00 C ATOM 287 O ASP A 17 98.014 2.982 -9.200 1.00 0.00 O ATOM 288 CB ASP A 17 97.263 5.991 -8.350 1.00 0.00 C ATOM 289 CG ASP A 17 95.763 5.841 -8.119 1.00 0.00 C ATOM 290 OD1 ASP A 17 95.172 4.975 -8.743 1.00 0.00 O ATOM 291 OD2 ASP A 17 95.228 6.593 -7.321 1.00 0.00 O ATOM 0 H ASP A 17 99.701 5.339 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 17 97.840 4.866 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.608 6.943 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.476 6.001 -9.419 1.00 0.00 H new ATOM 296 N ALA A 18 96.458 2.992 -7.572 1.00 0.00 N ATOM 297 CA ALA A 18 95.856 1.731 -7.985 1.00 0.00 C ATOM 298 C ALA A 18 94.718 1.362 -7.039 1.00 0.00 C ATOM 299 O ALA A 18 94.440 2.082 -6.079 1.00 0.00 O ATOM 300 CB ALA A 18 96.904 0.617 -7.997 1.00 0.00 C ATOM 0 H ALA A 18 96.018 3.423 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 18 95.460 1.849 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.438 -0.318 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.701 0.875 -8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.322 0.499 -6.997 1.00 0.00 H new ATOM 306 N ASP A 19 94.064 0.242 -7.317 1.00 0.00 N ATOM 307 CA ASP A 19 92.955 -0.210 -6.481 1.00 0.00 C ATOM 308 C ASP A 19 93.429 -1.233 -5.456 1.00 0.00 C ATOM 309 O ASP A 19 94.163 -2.164 -5.789 1.00 0.00 O ATOM 310 CB ASP A 19 91.864 -0.830 -7.357 1.00 0.00 C ATOM 311 CG ASP A 19 90.552 -0.906 -6.582 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.469 -1.717 -5.675 1.00 0.00 O ATOM 313 OD2 ASP A 19 89.651 -0.150 -6.905 1.00 0.00 O ATOM 0 H ASP A 19 94.278 -0.367 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 19 92.553 0.653 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.729 -0.234 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.166 -1.828 -7.676 1.00 0.00 H new ATOM 318 N SER A 20 92.990 -1.065 -4.214 1.00 0.00 N ATOM 319 CA SER A 20 93.360 -1.989 -3.150 1.00 0.00 C ATOM 320 C SER A 20 92.144 -2.324 -2.292 1.00 0.00 C ATOM 321 O SER A 20 91.171 -1.578 -2.264 1.00 0.00 O ATOM 322 CB SER A 20 94.434 -1.356 -2.270 1.00 0.00 C ATOM 323 OG SER A 20 94.083 -0.003 -2.008 1.00 0.00 O ATOM 0 H SER A 20 92.381 -0.302 -3.920 1.00 0.00 H new ATOM 0 HA SER A 20 93.743 -2.904 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.527 -1.908 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.403 -1.404 -2.766 1.00 0.00 H new ATOM 0 HG SER A 20 93.114 0.108 -2.103 1.00 0.00 H new ATOM 329 N GLU A 21 92.210 -3.440 -1.582 1.00 0.00 N ATOM 330 CA GLU A 21 91.114 -3.845 -0.702 1.00 0.00 C ATOM 331 C GLU A 21 91.693 -4.563 0.500 1.00 0.00 C ATOM 332 O GLU A 21 92.723 -5.230 0.394 1.00 0.00 O ATOM 333 CB GLU A 21 90.115 -4.742 -1.442 1.00 0.00 C ATOM 334 CG GLU A 21 90.823 -5.987 -1.983 1.00 0.00 C ATOM 335 CD GLU A 21 90.714 -7.131 -0.981 1.00 0.00 C ATOM 336 OE1 GLU A 21 90.522 -6.850 0.188 1.00 0.00 O ATOM 337 OE2 GLU A 21 90.823 -8.272 -1.400 1.00 0.00 O ATOM 0 H GLU A 21 93.004 -4.081 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 21 90.571 -2.959 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 89.311 -5.036 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.657 -4.189 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.379 -6.283 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 21 91.872 -5.762 -2.177 1.00 0.00 H new ATOM 344 N ILE A 22 91.057 -4.400 1.653 1.00 0.00 N ATOM 345 CA ILE A 22 91.564 -5.019 2.875 1.00 0.00 C ATOM 346 C ILE A 22 90.544 -5.974 3.487 1.00 0.00 C ATOM 347 O ILE A 22 89.361 -5.669 3.573 1.00 0.00 O ATOM 348 CB ILE A 22 91.926 -3.922 3.877 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.065 -3.046 3.300 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.344 -4.559 5.207 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.377 -3.267 4.065 1.00 0.00 C ATOM 0 H ILE A 22 90.203 -3.854 1.770 1.00 0.00 H new ATOM 0 HA ILE A 22 92.449 -5.604 2.625 1.00 0.00 H new ATOM 0 HB ILE A 22 91.060 -3.285 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.211 -3.283 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.782 -1.995 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.602 -3.776 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.519 -5.152 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.209 -5.202 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.158 -2.639 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.235 -3.006 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.671 -4.314 3.988 1.00 0.00 H new ATOM 363 N LEU A 23 91.031 -7.136 3.917 1.00 0.00 N ATOM 364 CA LEU A 23 90.180 -8.154 4.524 1.00 0.00 C ATOM 365 C LEU A 23 90.649 -8.481 5.934 1.00 0.00 C ATOM 366 O LEU A 23 91.793 -8.883 6.149 1.00 0.00 O ATOM 367 CB LEU A 23 90.216 -9.432 3.676 1.00 0.00 C ATOM 368 CG LEU A 23 90.439 -9.059 2.206 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.941 -9.031 1.898 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.754 -10.091 1.300 1.00 0.00 C ATOM 0 H LEU A 23 92.015 -7.396 3.855 1.00 0.00 H new ATOM 0 HA LEU A 23 89.163 -7.765 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.014 -10.089 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.281 -9.981 3.786 1.00 0.00 H new ATOM 0 HG LEU A 23 90.013 -8.073 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.093 -8.765 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.429 -8.293 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.370 -10.015 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.915 -9.822 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.175 -11.078 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.685 -10.107 1.510 1.00 0.00 H new ATOM 382 N GLN A 24 89.742 -8.320 6.883 1.00 0.00 N ATOM 383 CA GLN A 24 90.047 -8.617 8.283 1.00 0.00 C ATOM 384 C GLN A 24 88.957 -9.504 8.871 1.00 0.00 C ATOM 385 O GLN A 24 87.869 -9.028 9.193 1.00 0.00 O ATOM 386 CB GLN A 24 90.142 -7.319 9.091 1.00 0.00 C ATOM 387 CG GLN A 24 90.181 -7.646 10.588 1.00 0.00 C ATOM 388 CD GLN A 24 90.719 -6.455 11.376 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.888 -5.680 12.020 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 91.927 -6.227 11.410 1.00 0.00 N flip ATOM 0 H GLN A 24 88.792 -7.988 6.717 1.00 0.00 H new ATOM 0 HA GLN A 24 91.004 -9.137 8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.037 -6.766 8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.288 -6.678 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.180 -7.900 10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.810 -8.519 10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 24 92.575 -6.833 10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 24 92.281 -5.432 11.942 1.00 0.00 H new ATOM 399 N GLY A 25 89.242 -10.797 8.994 1.00 0.00 N ATOM 400 CA GLY A 25 88.260 -11.731 9.525 1.00 0.00 C ATOM 401 C GLY A 25 87.258 -12.109 8.440 1.00 0.00 C ATOM 402 O GLY A 25 87.643 -12.533 7.350 1.00 0.00 O ATOM 0 H GLY A 25 90.135 -11.217 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.761 -12.625 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.740 -11.282 10.371 1.00 0.00 H new ATOM 406 N GLU A 26 85.977 -11.942 8.738 1.00 0.00 N ATOM 407 CA GLU A 26 84.927 -12.258 7.775 1.00 0.00 C ATOM 408 C GLU A 26 84.422 -10.983 7.109 1.00 0.00 C ATOM 409 O GLU A 26 83.394 -10.990 6.431 1.00 0.00 O ATOM 410 CB GLU A 26 83.762 -12.954 8.486 1.00 0.00 C ATOM 411 CG GLU A 26 83.291 -12.104 9.678 1.00 0.00 C ATOM 412 CD GLU A 26 83.740 -12.739 10.992 1.00 0.00 C ATOM 413 OE1 GLU A 26 84.925 -12.690 11.277 1.00 0.00 O ATOM 414 OE2 GLU A 26 82.891 -13.267 11.692 1.00 0.00 O ATOM 0 H GLU A 26 85.639 -11.591 9.634 1.00 0.00 H new ATOM 0 HA GLU A 26 85.339 -12.921 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.938 -13.106 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.073 -13.940 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.696 -11.095 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.205 -12.014 9.662 1.00 0.00 H new ATOM 421 N ARG A 27 85.139 -9.881 7.326 1.00 0.00 N ATOM 422 CA ARG A 27 84.744 -8.594 6.766 1.00 0.00 C ATOM 423 C ARG A 27 85.721 -8.102 5.710 1.00 0.00 C ATOM 424 O ARG A 27 86.936 -8.129 5.908 1.00 0.00 O ATOM 425 CB ARG A 27 84.679 -7.558 7.879 1.00 0.00 C ATOM 426 CG ARG A 27 83.549 -7.914 8.854 1.00 0.00 C ATOM 427 CD ARG A 27 84.107 -7.962 10.269 1.00 0.00 C ATOM 428 NE ARG A 27 83.031 -8.143 11.237 1.00 0.00 N ATOM 429 CZ ARG A 27 83.278 -8.171 12.543 1.00 0.00 C ATOM 430 NH1 ARG A 27 84.499 -8.034 12.980 1.00 0.00 N ATOM 431 NH2 ARG A 27 82.298 -8.337 13.388 1.00 0.00 N ATOM 0 H ARG A 27 85.993 -9.856 7.884 1.00 0.00 H new ATOM 0 HA ARG A 27 83.770 -8.730 6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.631 -7.520 8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.509 -6.567 7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.751 -7.175 8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.114 -8.877 8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.824 -8.779 10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.647 -7.040 10.485 1.00 0.00 H new ATOM 0 HE ARG A 27 82.072 -8.250 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 27 85.266 -7.905 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 27 84.687 -8.056 13.982 1.00 0.00 H new ATOM 0 HH21 ARG A 27 81.343 -8.445 13.047 1.00 0.00 H new ATOM 0 HH22 ARG A 27 82.487 -8.359 14.390 1.00 0.00 H new ATOM 445 N ARG A 28 85.180 -7.642 4.594 1.00 0.00 N ATOM 446 CA ARG A 28 85.999 -7.125 3.498 1.00 0.00 C ATOM 447 C ARG A 28 85.517 -5.746 3.090 1.00 0.00 C ATOM 448 O ARG A 28 84.335 -5.422 3.207 1.00 0.00 O ATOM 449 CB ARG A 28 85.927 -8.074 2.295 1.00 0.00 C ATOM 450 CG ARG A 28 86.819 -7.551 1.161 1.00 0.00 C ATOM 451 CD ARG A 28 86.712 -8.487 -0.045 1.00 0.00 C ATOM 452 NE ARG A 28 87.693 -8.123 -1.065 1.00 0.00 N ATOM 453 CZ ARG A 28 87.741 -8.763 -2.229 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.900 -9.730 -2.478 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.627 -8.424 -3.125 1.00 0.00 N ATOM 0 H ARG A 28 84.176 -7.614 4.418 1.00 0.00 H new ATOM 0 HA ARG A 28 87.032 -7.055 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.248 -9.073 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.897 -8.159 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.515 -6.543 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.854 -7.490 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 28 86.873 -9.517 0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.707 -8.436 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 28 88.351 -7.366 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.206 -9.995 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 28 86.937 -10.221 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.283 -7.667 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 28 88.663 -8.916 -4.018 1.00 0.00 H new ATOM 469 N TRP A 29 86.450 -4.931 2.624 1.00 0.00 N ATOM 470 CA TRP A 29 86.143 -3.574 2.213 1.00 0.00 C ATOM 471 C TRP A 29 87.043 -3.157 1.057 1.00 0.00 C ATOM 472 O TRP A 29 88.142 -3.688 0.890 1.00 0.00 O ATOM 473 CB TRP A 29 86.386 -2.631 3.384 1.00 0.00 C ATOM 474 CG TRP A 29 85.566 -3.034 4.563 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.223 -2.921 4.658 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.022 -3.601 5.823 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.824 -3.376 5.903 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.900 -3.806 6.658 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.291 -3.950 6.317 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.033 -4.339 7.941 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.430 -4.488 7.606 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.303 -4.681 8.419 1.00 0.00 C ATOM 0 H TRP A 29 87.431 -5.190 2.521 1.00 0.00 H new ATOM 0 HA TRP A 29 85.101 -3.528 1.895 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.443 -2.638 3.650 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.137 -1.610 3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.568 -2.539 3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.856 -3.392 6.224 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.165 -3.803 5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.161 -4.487 8.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.410 -4.755 7.974 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.415 -5.092 9.411 1.00 0.00 H new ATOM 493 N GLU A 30 86.578 -2.196 0.264 1.00 0.00 N ATOM 494 CA GLU A 30 87.357 -1.711 -0.867 1.00 0.00 C ATOM 495 C GLU A 30 88.021 -0.382 -0.506 1.00 0.00 C ATOM 496 O GLU A 30 87.395 0.473 0.119 1.00 0.00 O ATOM 497 CB GLU A 30 86.446 -1.519 -2.085 1.00 0.00 C ATOM 498 CG GLU A 30 85.326 -2.563 -2.059 1.00 0.00 C ATOM 499 CD GLU A 30 84.275 -2.177 -1.024 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.447 -1.149 -0.389 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.315 -2.915 -0.880 1.00 0.00 O ATOM 0 H GLU A 30 85.673 -1.742 0.383 1.00 0.00 H new ATOM 0 HA GLU A 30 88.127 -2.444 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.021 -0.515 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.025 -1.615 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.866 -2.640 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.738 -3.544 -1.822 1.00 0.00 H new ATOM 508 N VAL A 31 89.279 -0.208 -0.890 1.00 0.00 N ATOM 509 CA VAL A 31 89.993 1.030 -0.583 1.00 0.00 C ATOM 510 C VAL A 31 90.979 1.385 -1.689 1.00 0.00 C ATOM 511 O VAL A 31 91.434 0.524 -2.438 1.00 0.00 O ATOM 512 CB VAL A 31 90.763 0.882 0.735 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.778 0.767 1.898 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.644 -0.373 0.687 1.00 0.00 C ATOM 0 H VAL A 31 89.823 -0.898 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 31 89.253 1.826 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 31 91.393 1.760 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.329 0.662 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.159 1.663 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.142 -0.106 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.188 -0.472 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.017 -1.252 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.354 -0.288 -0.136 1.00 0.00 H new ATOM 524 N LEU A 32 91.328 2.662 -1.763 1.00 0.00 N ATOM 525 CA LEU A 32 92.289 3.128 -2.751 1.00 0.00 C ATOM 526 C LEU A 32 93.664 3.190 -2.100 1.00 0.00 C ATOM 527 O LEU A 32 93.818 3.740 -1.008 1.00 0.00 O ATOM 528 CB LEU A 32 91.891 4.510 -3.298 1.00 0.00 C ATOM 529 CG LEU A 32 91.858 5.559 -2.176 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.642 6.944 -2.792 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.714 5.257 -1.196 1.00 0.00 C ATOM 0 H LEU A 32 90.961 3.392 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 32 92.307 2.435 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.599 4.818 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 32 90.911 4.449 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 32 92.804 5.531 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.617 7.694 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.458 7.168 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.697 6.958 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 32 90.703 6.009 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.763 5.277 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 32 90.863 4.271 -0.756 1.00 0.00 H new ATOM 543 N LEU A 33 94.658 2.609 -2.754 1.00 0.00 N ATOM 544 CA LEU A 33 96.003 2.607 -2.199 1.00 0.00 C ATOM 545 C LEU A 33 96.775 3.816 -2.698 1.00 0.00 C ATOM 546 O LEU A 33 96.858 4.069 -3.900 1.00 0.00 O ATOM 547 CB LEU A 33 96.733 1.314 -2.581 1.00 0.00 C ATOM 548 CG LEU A 33 98.241 1.426 -2.278 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.731 0.119 -1.650 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.012 1.681 -3.580 1.00 0.00 C ATOM 0 H LEU A 33 94.563 2.140 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 33 95.935 2.659 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.308 0.475 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.585 1.107 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 33 98.410 2.253 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.797 0.196 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.186 -0.066 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.559 -0.705 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.077 1.760 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.843 0.855 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.665 2.610 -4.033 1.00 0.00 H new ATOM 562 N HIS A 34 97.310 4.572 -1.754 1.00 0.00 N ATOM 563 CA HIS A 34 98.049 5.779 -2.081 1.00 0.00 C ATOM 564 C HIS A 34 99.546 5.505 -2.240 1.00 0.00 C ATOM 565 O HIS A 34 100.207 6.184 -3.025 1.00 0.00 O ATOM 566 CB HIS A 34 97.787 6.827 -1.007 1.00 0.00 C ATOM 567 CG HIS A 34 96.407 7.395 -1.195 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.169 8.526 -1.960 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.178 6.991 -0.731 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.843 8.761 -1.936 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.194 7.854 -1.200 1.00 0.00 N ATOM 0 H HIS A 34 97.246 4.371 -0.756 1.00 0.00 H new ATOM 0 HA HIS A 34 97.702 6.154 -3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.877 6.380 -0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.531 7.621 -1.068 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.870 9.080 -2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.003 6.133 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.363 9.582 -2.449 1.00 0.00 H new ATOM 579 N ASP A 35 100.080 4.500 -1.555 1.00 0.00 N ATOM 580 CA ASP A 35 101.502 4.184 -1.730 1.00 0.00 C ATOM 581 C ASP A 35 101.885 2.909 -0.989 1.00 0.00 C ATOM 582 O ASP A 35 101.156 2.438 -0.116 1.00 0.00 O ATOM 583 CB ASP A 35 102.387 5.350 -1.272 1.00 0.00 C ATOM 584 CG ASP A 35 102.366 5.449 0.250 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.961 4.595 0.887 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.758 6.378 0.756 1.00 0.00 O ATOM 0 H ASP A 35 99.577 3.907 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 35 101.668 4.021 -2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.409 5.202 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.032 6.282 -1.711 1.00 0.00 H new ATOM 591 N VAL A 36 103.037 2.349 -1.362 1.00 0.00 N ATOM 592 CA VAL A 36 103.518 1.114 -0.748 1.00 0.00 C ATOM 593 C VAL A 36 105.041 1.117 -0.647 1.00 0.00 C ATOM 594 O VAL A 36 105.722 1.944 -1.252 1.00 0.00 O ATOM 595 CB VAL A 36 103.055 -0.088 -1.581 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.880 -0.167 -2.868 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.237 -1.384 -0.788 1.00 0.00 C ATOM 0 H VAL A 36 103.650 2.730 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 36 103.107 1.042 0.259 1.00 0.00 H new ATOM 0 HB VAL A 36 102.000 0.038 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.551 -1.021 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.743 0.748 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.934 -0.284 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.905 -2.229 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.290 -1.511 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.647 -1.337 0.127 1.00 0.00 H new ATOM 607 N SER A 37 105.558 0.160 0.115 1.00 0.00 N ATOM 608 CA SER A 37 106.992 0.000 0.308 1.00 0.00 C ATOM 609 C SER A 37 107.297 -1.493 0.339 1.00 0.00 C ATOM 610 O SER A 37 106.375 -2.309 0.373 1.00 0.00 O ATOM 611 CB SER A 37 107.426 0.654 1.620 1.00 0.00 C ATOM 612 OG SER A 37 108.834 0.850 1.605 1.00 0.00 O ATOM 0 H SER A 37 104.994 -0.526 0.616 1.00 0.00 H new ATOM 0 HA SER A 37 107.537 0.481 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.916 1.609 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.144 0.025 2.464 1.00 0.00 H new ATOM 0 HG SER A 37 109.115 1.271 2.444 1.00 0.00 H new ATOM 618 N LEU A 38 108.569 -1.865 0.311 1.00 0.00 N ATOM 619 CA LEU A 38 108.902 -3.285 0.315 1.00 0.00 C ATOM 620 C LEU A 38 108.495 -3.935 1.637 1.00 0.00 C ATOM 621 O LEU A 38 108.681 -5.138 1.826 1.00 0.00 O ATOM 622 CB LEU A 38 110.402 -3.489 0.049 1.00 0.00 C ATOM 623 CG LEU A 38 110.610 -4.554 -1.035 1.00 0.00 C ATOM 624 CD1 LEU A 38 110.402 -3.930 -2.416 1.00 0.00 C ATOM 625 CD2 LEU A 38 112.035 -5.107 -0.940 1.00 0.00 C ATOM 0 H LEU A 38 109.365 -1.228 0.286 1.00 0.00 H new ATOM 0 HA LEU A 38 108.343 -3.768 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.854 -2.548 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.903 -3.793 0.968 1.00 0.00 H new ATOM 0 HG LEU A 38 109.892 -5.361 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 38 110.550 -4.689 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.389 -3.534 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 38 111.118 -3.121 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.184 -5.864 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.750 -4.297 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 38 112.187 -5.554 0.042 1.00 0.00 H new ATOM 637 N HIS A 39 107.936 -3.142 2.549 1.00 0.00 N ATOM 638 CA HIS A 39 107.509 -3.676 3.840 1.00 0.00 C ATOM 639 C HIS A 39 106.543 -2.718 4.541 1.00 0.00 C ATOM 640 O HIS A 39 106.616 -2.534 5.756 1.00 0.00 O ATOM 641 CB HIS A 39 108.734 -3.921 4.729 1.00 0.00 C ATOM 642 CG HIS A 39 108.472 -5.081 5.652 1.00 0.00 C ATOM 643 ND1 HIS A 39 108.857 -6.375 5.338 1.00 0.00 N ATOM 644 CD2 HIS A 39 107.869 -5.159 6.884 1.00 0.00 C ATOM 645 CE1 HIS A 39 108.486 -7.169 6.357 1.00 0.00 C ATOM 646 NE2 HIS A 39 107.879 -6.479 7.327 1.00 0.00 N ATOM 0 H HIS A 39 107.770 -2.144 2.422 1.00 0.00 H new ATOM 0 HA HIS A 39 106.988 -4.618 3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.608 -4.127 4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.958 -3.026 5.310 1.00 0.00 H new ATOM 0 HD2 HIS A 39 107.451 -4.324 7.426 1.00 0.00 H new ATOM 0 HE1 HIS A 39 108.658 -8.235 6.388 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.504 -6.841 8.203 1.00 0.00 H new ATOM 654 N GLY A 40 105.638 -2.114 3.775 1.00 0.00 N ATOM 655 CA GLY A 40 104.668 -1.183 4.350 1.00 0.00 C ATOM 656 C GLY A 40 103.664 -0.716 3.300 1.00 0.00 C ATOM 657 O GLY A 40 103.951 -0.745 2.108 1.00 0.00 O ATOM 0 H GLY A 40 105.555 -2.249 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.140 -1.665 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.190 -0.322 4.767 1.00 0.00 H new ATOM 661 N ILE A 41 102.478 -0.302 3.747 1.00 0.00 N ATOM 662 CA ILE A 41 101.438 0.149 2.822 1.00 0.00 C ATOM 663 C ILE A 41 100.566 1.236 3.451 1.00 0.00 C ATOM 664 O ILE A 41 100.338 1.254 4.659 1.00 0.00 O ATOM 665 CB ILE A 41 100.571 -1.053 2.389 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.080 -0.674 2.368 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.780 -2.211 3.364 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.272 -1.808 1.733 1.00 0.00 C ATOM 0 H ILE A 41 102.215 -0.269 4.732 1.00 0.00 H new ATOM 0 HA ILE A 41 101.922 0.581 1.946 1.00 0.00 H new ATOM 0 HB ILE A 41 100.872 -1.350 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.728 -0.486 3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.936 0.248 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.168 -3.059 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.830 -2.502 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.491 -1.898 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.216 -1.539 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.618 -1.974 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.406 -2.720 2.315 1.00 0.00 H new ATOM 680 N LEU A 42 100.070 2.130 2.595 1.00 0.00 N ATOM 681 CA LEU A 42 99.198 3.223 3.021 1.00 0.00 C ATOM 682 C LEU A 42 97.881 3.120 2.261 1.00 0.00 C ATOM 683 O LEU A 42 97.876 2.847 1.061 1.00 0.00 O ATOM 684 CB LEU A 42 99.863 4.575 2.715 1.00 0.00 C ATOM 685 CG LEU A 42 99.701 5.535 3.900 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.703 6.682 3.763 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.280 6.105 3.911 1.00 0.00 C ATOM 0 H LEU A 42 100.260 2.117 1.593 1.00 0.00 H new ATOM 0 HA LEU A 42 99.019 3.154 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.922 4.426 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.417 5.012 1.822 1.00 0.00 H new ATOM 0 HG LEU A 42 99.883 4.995 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.590 7.366 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.716 6.281 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.518 7.218 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.168 6.787 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 98.097 6.644 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.562 5.290 4.005 1.00 0.00 H new ATOM 699 N VAL A 43 96.766 3.320 2.952 1.00 0.00 N ATOM 700 CA VAL A 43 95.464 3.220 2.295 1.00 0.00 C ATOM 701 C VAL A 43 94.491 4.280 2.802 1.00 0.00 C ATOM 702 O VAL A 43 94.782 5.012 3.747 1.00 0.00 O ATOM 703 CB VAL A 43 94.871 1.830 2.526 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.855 0.767 2.031 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.616 1.627 4.020 1.00 0.00 C ATOM 0 H VAL A 43 96.732 3.548 3.946 1.00 0.00 H new ATOM 0 HA VAL A 43 95.618 3.387 1.229 1.00 0.00 H new ATOM 0 HB VAL A 43 93.932 1.741 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.433 -0.224 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 96.040 0.910 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.793 0.857 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.193 0.636 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.556 1.716 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.917 2.384 4.376 1.00 0.00 H new ATOM 715 N GLY A 44 93.318 4.322 2.176 1.00 0.00 N ATOM 716 CA GLY A 44 92.266 5.265 2.579 1.00 0.00 C ATOM 717 C GLY A 44 91.279 4.563 3.513 1.00 0.00 C ATOM 718 O GLY A 44 91.037 3.367 3.362 1.00 0.00 O ATOM 0 H GLY A 44 93.068 3.720 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.708 6.126 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.745 5.642 1.699 1.00 0.00 H new ATOM 722 N GLN A 45 90.730 5.283 4.499 1.00 0.00 N ATOM 723 CA GLN A 45 89.801 4.673 5.453 1.00 0.00 C ATOM 724 C GLN A 45 88.356 4.708 4.947 1.00 0.00 C ATOM 725 O GLN A 45 87.776 5.787 4.826 1.00 0.00 O ATOM 726 CB GLN A 45 89.865 5.459 6.769 1.00 0.00 C ATOM 727 CG GLN A 45 88.974 4.787 7.831 1.00 0.00 C ATOM 728 CD GLN A 45 87.882 5.748 8.297 1.00 0.00 C ATOM 729 OE1 GLN A 45 88.089 6.961 8.326 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.723 5.275 8.669 1.00 0.00 N ATOM 0 H GLN A 45 90.911 6.275 4.655 1.00 0.00 H new ATOM 0 HA GLN A 45 90.094 3.632 5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.895 5.506 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.537 6.486 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.522 3.886 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.582 4.477 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.551 4.270 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.990 5.911 8.983 1.00 0.00 H new ATOM 739 N PRO A 46 87.749 3.582 4.669 1.00 0.00 N ATOM 740 CA PRO A 46 86.342 3.550 4.194 1.00 0.00 C ATOM 741 C PRO A 46 85.348 3.567 5.362 1.00 0.00 C ATOM 742 O PRO A 46 85.712 3.282 6.502 1.00 0.00 O ATOM 743 CB PRO A 46 86.276 2.243 3.414 1.00 0.00 C ATOM 744 CG PRO A 46 87.233 1.335 4.128 1.00 0.00 C ATOM 745 CD PRO A 46 88.318 2.232 4.754 1.00 0.00 C ATOM 0 HA PRO A 46 86.072 4.419 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.266 1.833 3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.565 2.386 2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.718 0.758 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.676 0.619 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.524 1.949 5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.260 2.160 4.210 1.00 0.00 H new ATOM 753 N GLN A 47 84.100 3.922 5.070 1.00 0.00 N ATOM 754 CA GLN A 47 83.064 3.996 6.101 1.00 0.00 C ATOM 755 C GLN A 47 82.739 2.625 6.703 1.00 0.00 C ATOM 756 O GLN A 47 82.516 2.510 7.908 1.00 0.00 O ATOM 757 CB GLN A 47 81.788 4.594 5.503 1.00 0.00 C ATOM 758 CG GLN A 47 81.337 3.758 4.294 1.00 0.00 C ATOM 759 CD GLN A 47 81.056 4.664 3.100 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.928 5.124 2.921 1.00 0.00 O ATOM 761 NE2 GLN A 47 82.020 4.949 2.270 1.00 0.00 N ATOM 0 H GLN A 47 83.780 4.163 4.132 1.00 0.00 H new ATOM 0 HA GLN A 47 83.449 4.628 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 47 80.999 4.617 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.967 5.625 5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.109 3.033 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 47 80.441 3.192 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 47 82.953 4.566 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 47 81.841 5.555 1.469 1.00 0.00 H new ATOM 770 N ASP A 48 82.685 1.597 5.862 1.00 0.00 N ATOM 771 CA ASP A 48 82.352 0.251 6.329 1.00 0.00 C ATOM 772 C ASP A 48 83.499 -0.376 7.121 1.00 0.00 C ATOM 773 O ASP A 48 83.455 -1.559 7.456 1.00 0.00 O ATOM 774 CB ASP A 48 82.008 -0.642 5.135 1.00 0.00 C ATOM 775 CG ASP A 48 80.598 -0.334 4.640 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.031 0.643 5.099 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.107 -1.081 3.809 1.00 0.00 O ATOM 0 H ASP A 48 82.866 1.666 4.861 1.00 0.00 H new ATOM 0 HA ASP A 48 81.492 0.335 6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.727 -0.482 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.080 -1.691 5.423 1.00 0.00 H new ATOM 782 N TRP A 49 84.522 0.416 7.408 1.00 0.00 N ATOM 783 CA TRP A 49 85.678 -0.079 8.153 1.00 0.00 C ATOM 784 C TRP A 49 85.285 -0.576 9.538 1.00 0.00 C ATOM 785 O TRP A 49 85.664 0.019 10.544 1.00 0.00 O ATOM 786 CB TRP A 49 86.702 1.036 8.309 1.00 0.00 C ATOM 787 CG TRP A 49 87.973 0.489 8.876 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.298 0.482 10.184 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.073 -0.122 8.171 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.557 -0.087 10.333 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.084 -0.466 9.105 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.286 -0.397 6.813 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.276 -1.067 8.677 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.472 -0.999 6.388 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.463 -1.326 7.314 1.00 0.00 C ATOM 0 H TRP A 49 84.579 1.398 7.140 1.00 0.00 H new ATOM 0 HA TRP A 49 86.099 -0.913 7.591 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.896 1.500 7.342 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.308 1.814 8.963 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.680 0.858 10.986 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.032 -0.210 11.227 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.526 -0.141 6.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.043 -1.328 9.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.623 -1.212 5.340 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.382 -1.783 6.977 1.00 0.00 H new ATOM 806 N ASN A 50 84.545 -1.675 9.599 1.00 0.00 N ATOM 807 CA ASN A 50 84.155 -2.227 10.893 1.00 0.00 C ATOM 808 C ASN A 50 85.170 -3.281 11.326 1.00 0.00 C ATOM 809 O ASN A 50 84.929 -4.481 11.189 1.00 0.00 O ATOM 810 CB ASN A 50 82.751 -2.835 10.825 1.00 0.00 C ATOM 811 CG ASN A 50 82.363 -3.402 12.186 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.478 -2.866 12.854 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.977 -4.462 12.641 1.00 0.00 N ATOM 0 H ASN A 50 84.208 -2.194 8.788 1.00 0.00 H new ATOM 0 HA ASN A 50 84.137 -1.422 11.627 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.031 -2.076 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.723 -3.623 10.072 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.724 -4.847 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.710 -4.904 12.086 1.00 0.00 H new ATOM 820 N GLY A 51 86.310 -2.823 11.840 1.00 0.00 N ATOM 821 CA GLY A 51 87.364 -3.733 12.278 1.00 0.00 C ATOM 822 C GLY A 51 88.033 -3.233 13.553 1.00 0.00 C ATOM 823 O GLY A 51 87.957 -2.051 13.885 1.00 0.00 O ATOM 0 H GLY A 51 86.526 -1.834 11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.944 -4.724 12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.110 -3.835 11.490 1.00 0.00 H new ATOM 827 N ASP A 52 88.686 -4.149 14.262 1.00 0.00 N ATOM 828 CA ASP A 52 89.373 -3.809 15.506 1.00 0.00 C ATOM 829 C ASP A 52 90.852 -3.509 15.239 1.00 0.00 C ATOM 830 O ASP A 52 91.621 -4.412 14.909 1.00 0.00 O ATOM 831 CB ASP A 52 89.263 -4.974 16.491 1.00 0.00 C ATOM 832 CG ASP A 52 89.842 -4.571 17.842 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.888 -3.943 17.852 1.00 0.00 O ATOM 834 OD2 ASP A 52 89.232 -4.895 18.847 1.00 0.00 O ATOM 0 H ASP A 52 88.754 -5.132 13.998 1.00 0.00 H new ATOM 0 HA ASP A 52 88.903 -2.922 15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.219 -5.266 16.606 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.796 -5.842 16.102 1.00 0.00 H new ATOM 839 N PRO A 53 91.266 -2.268 15.370 1.00 0.00 N ATOM 840 CA PRO A 53 92.685 -1.862 15.133 1.00 0.00 C ATOM 841 C PRO A 53 93.676 -2.798 15.808 1.00 0.00 C ATOM 842 O PRO A 53 94.843 -2.866 15.420 1.00 0.00 O ATOM 843 CB PRO A 53 92.760 -0.457 15.734 1.00 0.00 C ATOM 844 CG PRO A 53 91.376 0.086 15.627 1.00 0.00 C ATOM 845 CD PRO A 53 90.432 -1.112 15.756 1.00 0.00 C ATOM 0 HA PRO A 53 92.949 -1.895 14.076 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.091 -0.489 16.772 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.471 0.166 15.192 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.184 0.818 16.411 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.231 0.594 14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.054 -1.215 16.773 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.565 -1.009 15.103 1.00 0.00 H new ATOM 853 N GLN A 54 93.216 -3.499 16.835 1.00 0.00 N ATOM 854 CA GLN A 54 94.089 -4.402 17.566 1.00 0.00 C ATOM 855 C GLN A 54 94.275 -5.729 16.833 1.00 0.00 C ATOM 856 O GLN A 54 95.275 -6.418 17.039 1.00 0.00 O ATOM 857 CB GLN A 54 93.519 -4.662 18.962 1.00 0.00 C ATOM 858 CG GLN A 54 93.220 -3.326 19.647 1.00 0.00 C ATOM 859 CD GLN A 54 92.559 -3.570 20.999 1.00 0.00 C ATOM 860 OE1 GLN A 54 92.122 -4.762 21.296 1.00 0.00 O flip ATOM 861 NE2 GLN A 54 92.439 -2.649 21.807 1.00 0.00 N flip ATOM 0 H GLN A 54 92.256 -3.460 17.176 1.00 0.00 H new ATOM 0 HA GLN A 54 95.065 -3.924 17.647 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.609 -5.258 18.890 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.230 -5.236 19.556 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.143 -2.762 19.781 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.566 -2.723 19.017 1.00 0.00 H new ATOM 0 HE21 GLN A 54 92.782 -1.717 21.573 1.00 0.00 H new ATOM 0 HE22 GLN A 54 91.997 -2.818 22.711 1.00 0.00 H new ATOM 870 N ARG A 55 93.320 -6.089 15.981 1.00 0.00 N ATOM 871 CA ARG A 55 93.422 -7.344 15.238 1.00 0.00 C ATOM 872 C ARG A 55 94.067 -7.098 13.874 1.00 0.00 C ATOM 873 O ARG A 55 93.962 -6.007 13.317 1.00 0.00 O ATOM 874 CB ARG A 55 92.035 -7.974 15.067 1.00 0.00 C ATOM 875 CG ARG A 55 91.685 -8.800 16.309 1.00 0.00 C ATOM 876 CD ARG A 55 91.768 -7.920 17.562 1.00 0.00 C ATOM 877 NE ARG A 55 93.121 -7.948 18.108 1.00 0.00 N ATOM 878 CZ ARG A 55 93.351 -7.668 19.387 1.00 0.00 C ATOM 879 NH1 ARG A 55 92.360 -7.358 20.176 1.00 0.00 N ATOM 880 NH2 ARG A 55 94.570 -7.706 19.852 1.00 0.00 N ATOM 0 H ARG A 55 92.481 -5.542 15.789 1.00 0.00 H new ATOM 0 HA ARG A 55 94.050 -8.035 15.801 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.288 -7.195 14.914 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.020 -8.608 14.181 1.00 0.00 H new ATOM 0 HG2 ARG A 55 90.681 -9.213 16.210 1.00 0.00 H new ATOM 0 HG3 ARG A 55 92.370 -9.643 16.400 1.00 0.00 H new ATOM 0 HD2 ARG A 55 91.489 -6.896 17.315 1.00 0.00 H new ATOM 0 HD3 ARG A 55 91.058 -8.272 18.311 1.00 0.00 H new ATOM 0 HE ARG A 55 93.903 -8.186 17.498 1.00 0.00 H new ATOM 0 HH11 ARG A 55 91.408 -7.330 19.812 1.00 0.00 H new ATOM 0 HH12 ARG A 55 92.537 -7.143 21.157 1.00 0.00 H new ATOM 0 HH21 ARG A 55 95.344 -7.950 19.234 1.00 0.00 H new ATOM 0 HH22 ARG A 55 94.749 -7.491 20.833 1.00 0.00 H new ATOM 894 N PRO A 56 94.753 -8.081 13.346 1.00 0.00 N ATOM 895 CA PRO A 56 95.458 -7.964 12.033 1.00 0.00 C ATOM 896 C PRO A 56 94.513 -7.752 10.854 1.00 0.00 C ATOM 897 O PRO A 56 93.319 -8.040 10.929 1.00 0.00 O ATOM 898 CB PRO A 56 96.229 -9.285 11.904 1.00 0.00 C ATOM 899 CG PRO A 56 95.514 -10.246 12.796 1.00 0.00 C ATOM 900 CD PRO A 56 94.932 -9.417 13.940 1.00 0.00 C ATOM 0 HA PRO A 56 96.104 -7.086 12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.237 -9.637 10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.269 -9.165 12.208 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.726 -10.767 12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.197 -11.007 13.175 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.986 -9.829 14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.606 -9.388 14.796 1.00 0.00 H new ATOM 908 N PHE A 57 95.084 -7.251 9.764 1.00 0.00 N ATOM 909 CA PHE A 57 94.338 -6.990 8.538 1.00 0.00 C ATOM 910 C PHE A 57 95.096 -7.589 7.353 1.00 0.00 C ATOM 911 O PHE A 57 96.312 -7.765 7.430 1.00 0.00 O ATOM 912 CB PHE A 57 94.217 -5.475 8.322 1.00 0.00 C ATOM 913 CG PHE A 57 93.531 -4.827 9.506 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.242 -4.591 10.688 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.182 -4.453 9.417 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.606 -3.985 11.779 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.548 -3.848 10.507 1.00 0.00 C ATOM 918 CZ PHE A 57 92.258 -3.613 11.687 1.00 0.00 C ATOM 0 H PHE A 57 96.075 -7.015 9.705 1.00 0.00 H new ATOM 0 HA PHE A 57 93.346 -7.435 8.618 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.207 -5.040 8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.652 -5.275 7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.281 -4.876 10.759 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.632 -4.633 8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.155 -3.804 12.692 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.509 -3.562 10.436 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.768 -3.145 12.528 1.00 0.00 H new ATOM 928 N GLU A 58 94.403 -7.876 6.251 1.00 0.00 N ATOM 929 CA GLU A 58 95.080 -8.423 5.069 1.00 0.00 C ATOM 930 C GLU A 58 94.822 -7.513 3.877 1.00 0.00 C ATOM 931 O GLU A 58 93.712 -7.034 3.700 1.00 0.00 O ATOM 932 CB GLU A 58 94.588 -9.838 4.768 1.00 0.00 C ATOM 933 CG GLU A 58 95.188 -10.815 5.781 1.00 0.00 C ATOM 934 CD GLU A 58 94.542 -12.187 5.630 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.391 -12.237 5.228 1.00 0.00 O ATOM 936 OE2 GLU A 58 95.208 -13.167 5.918 1.00 0.00 O ATOM 0 H GLU A 58 93.397 -7.744 6.149 1.00 0.00 H new ATOM 0 HA GLU A 58 96.151 -8.473 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.500 -9.873 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 58 94.874 -10.126 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.265 -10.893 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 58 95.035 -10.441 6.793 1.00 0.00 H new ATOM 943 N ALA A 59 95.845 -7.244 3.075 1.00 0.00 N ATOM 944 CA ALA A 59 95.685 -6.353 1.931 1.00 0.00 C ATOM 945 C ALA A 59 95.915 -7.075 0.614 1.00 0.00 C ATOM 946 O ALA A 59 96.893 -7.805 0.453 1.00 0.00 O ATOM 947 CB ALA A 59 96.701 -5.210 2.036 1.00 0.00 C ATOM 0 H ALA A 59 96.784 -7.625 3.193 1.00 0.00 H new ATOM 0 HA ALA A 59 94.662 -5.976 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.586 -4.541 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.530 -4.655 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.711 -5.620 2.041 1.00 0.00 H new ATOM 953 N ARG A 60 95.033 -6.817 -0.341 1.00 0.00 N ATOM 954 CA ARG A 60 95.168 -7.391 -1.668 1.00 0.00 C ATOM 955 C ARG A 60 95.234 -6.243 -2.666 1.00 0.00 C ATOM 956 O ARG A 60 94.380 -5.356 -2.650 1.00 0.00 O ATOM 957 CB ARG A 60 93.960 -8.281 -1.981 1.00 0.00 C ATOM 958 CG ARG A 60 93.810 -9.364 -0.903 1.00 0.00 C ATOM 959 CD ARG A 60 94.590 -10.614 -1.314 1.00 0.00 C ATOM 960 NE ARG A 60 94.468 -11.648 -0.292 1.00 0.00 N ATOM 961 CZ ARG A 60 95.071 -11.525 0.885 1.00 0.00 C ATOM 962 NH1 ARG A 60 95.774 -10.456 1.150 1.00 0.00 N ATOM 963 NH2 ARG A 60 94.958 -12.468 1.779 1.00 0.00 N ATOM 0 H ARG A 60 94.219 -6.215 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 60 96.069 -8.002 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.055 -7.676 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.084 -8.745 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 60 94.178 -8.992 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 60 92.757 -9.610 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 60 94.214 -10.988 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 60 95.640 -10.363 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 60 93.910 -12.480 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 60 95.860 -9.716 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 60 96.237 -10.361 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 60 94.406 -13.301 1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 60 95.422 -12.372 2.683 1.00 0.00 H new ATOM 977 N LEU A 61 96.258 -6.235 -3.513 1.00 0.00 N ATOM 978 CA LEU A 61 96.419 -5.155 -4.481 1.00 0.00 C ATOM 979 C LEU A 61 96.207 -5.654 -5.903 1.00 0.00 C ATOM 980 O LEU A 61 96.463 -6.818 -6.210 1.00 0.00 O ATOM 981 CB LEU A 61 97.826 -4.559 -4.365 1.00 0.00 C ATOM 982 CG LEU A 61 97.923 -3.671 -3.120 1.00 0.00 C ATOM 983 CD1 LEU A 61 97.789 -4.525 -1.850 1.00 0.00 C ATOM 984 CD2 LEU A 61 99.278 -2.955 -3.117 1.00 0.00 C ATOM 0 H LEU A 61 96.981 -6.954 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 61 95.670 -4.394 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.564 -5.359 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.056 -3.975 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 61 97.117 -2.937 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 61 97.859 -3.884 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 61 96.824 -5.032 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 61 98.588 -5.266 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 61 99.353 -2.321 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 61 100.080 -3.693 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 61 99.367 -2.340 -4.013 1.00 0.00 H new ATOM 996 N TYR A 62 95.746 -4.756 -6.766 1.00 0.00 N ATOM 997 CA TYR A 62 95.510 -5.100 -8.161 1.00 0.00 C ATOM 998 C TYR A 62 96.140 -4.058 -9.081 1.00 0.00 C ATOM 999 O TYR A 62 95.655 -2.926 -9.185 1.00 0.00 O ATOM 1000 CB TYR A 62 94.009 -5.183 -8.436 1.00 0.00 C ATOM 1001 CG TYR A 62 93.329 -5.910 -7.304 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.223 -7.307 -7.330 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.803 -5.188 -6.227 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.591 -7.980 -6.278 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.171 -5.861 -5.176 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.065 -7.257 -5.202 1.00 0.00 C ATOM 1007 OH TYR A 62 91.440 -7.921 -4.165 1.00 0.00 O ATOM 0 H TYR A 62 95.529 -3.789 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 62 95.967 -6.070 -8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.592 -4.181 -8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.829 -5.704 -9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.629 -7.864 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 62 92.885 -4.111 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.509 -9.057 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 62 91.765 -5.304 -4.345 1.00 0.00 H new ATOM 0 HH TYR A 62 91.834 -8.813 -4.063 1.00 0.00 H new ATOM 1017 N LEU A 63 97.221 -4.456 -9.747 1.00 0.00 N ATOM 1018 CA LEU A 63 97.924 -3.572 -10.671 1.00 0.00 C ATOM 1019 C LEU A 63 97.584 -3.969 -12.102 1.00 0.00 C ATOM 1020 O LEU A 63 96.658 -3.421 -12.702 1.00 0.00 O ATOM 1021 CB LEU A 63 99.440 -3.676 -10.425 1.00 0.00 C ATOM 1022 CG LEU A 63 100.191 -2.488 -11.056 1.00 0.00 C ATOM 1023 CD1 LEU A 63 100.154 -2.591 -12.586 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.560 -1.155 -10.618 1.00 0.00 C ATOM 0 H LEU A 63 97.629 -5.387 -9.663 1.00 0.00 H new ATOM 0 HA LEU A 63 97.615 -2.539 -10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.636 -3.705 -9.353 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.815 -4.610 -10.843 1.00 0.00 H new ATOM 0 HG LEU A 63 101.226 -2.520 -10.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 100.688 -1.746 -13.021 1.00 0.00 H new ATOM 0 HD12 LEU A 63 100.629 -3.521 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 63 99.119 -2.580 -12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.104 -0.328 -11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 63 98.518 -1.124 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 63 99.610 -1.068 -9.533 1.00 0.00 H new ATOM 1036 N GLY A 64 98.306 -4.950 -12.632 1.00 0.00 N ATOM 1037 CA GLY A 64 98.034 -5.434 -13.979 1.00 0.00 C ATOM 1038 C GLY A 64 96.789 -6.307 -13.943 1.00 0.00 C ATOM 1039 O GLY A 64 96.237 -6.551 -12.869 1.00 0.00 O ATOM 0 H GLY A 64 99.075 -5.421 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.887 -4.595 -14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.884 -6.004 -14.354 1.00 0.00 H new ATOM 1043 N LEU A 65 96.332 -6.777 -15.096 1.00 0.00 N ATOM 1044 CA LEU A 65 95.137 -7.609 -15.109 1.00 0.00 C ATOM 1045 C LEU A 65 95.452 -8.988 -14.538 1.00 0.00 C ATOM 1046 O LEU A 65 94.601 -9.621 -13.912 1.00 0.00 O ATOM 1047 CB LEU A 65 94.581 -7.738 -16.528 1.00 0.00 C ATOM 1048 CG LEU A 65 94.674 -6.387 -17.239 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.982 -6.477 -18.600 1.00 0.00 C ATOM 1050 CD2 LEU A 65 93.983 -5.316 -16.389 1.00 0.00 C ATOM 0 H LEU A 65 96.755 -6.604 -16.008 1.00 0.00 H new ATOM 0 HA LEU A 65 94.379 -7.133 -14.487 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.141 -8.491 -17.082 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.544 -8.072 -16.494 1.00 0.00 H new ATOM 0 HG LEU A 65 95.722 -6.123 -17.380 1.00 0.00 H new ATOM 0 HD11 LEU A 65 94.048 -5.514 -19.106 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.470 -7.240 -19.206 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.934 -6.741 -18.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.048 -4.352 -16.894 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.935 -5.582 -16.249 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.473 -5.250 -15.418 1.00 0.00 H new ATOM 1062 N ASP A 66 96.680 -9.448 -14.761 1.00 0.00 N ATOM 1063 CA ASP A 66 97.138 -10.750 -14.285 1.00 0.00 C ATOM 1064 C ASP A 66 98.029 -10.601 -13.052 1.00 0.00 C ATOM 1065 O ASP A 66 98.663 -11.565 -12.622 1.00 0.00 O ATOM 1066 CB ASP A 66 97.966 -11.401 -15.393 1.00 0.00 C ATOM 1067 CG ASP A 66 97.060 -11.808 -16.550 1.00 0.00 C ATOM 1068 OD1 ASP A 66 96.026 -11.182 -16.714 1.00 0.00 O ATOM 1069 OD2 ASP A 66 97.413 -12.739 -17.254 1.00 0.00 O ATOM 0 H ASP A 66 97.388 -8.927 -15.279 1.00 0.00 H new ATOM 0 HA ASP A 66 96.269 -11.354 -14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.729 -10.706 -15.745 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.487 -12.275 -15.003 1.00 0.00 H new ATOM 1074 N VAL A 67 98.090 -9.393 -12.497 1.00 0.00 N ATOM 1075 CA VAL A 67 98.932 -9.145 -11.323 1.00 0.00 C ATOM 1076 C VAL A 67 98.102 -8.981 -10.059 1.00 0.00 C ATOM 1077 O VAL A 67 97.613 -7.894 -9.749 1.00 0.00 O ATOM 1078 CB VAL A 67 99.807 -7.898 -11.547 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.300 -7.347 -10.201 1.00 0.00 C ATOM 1080 CG2 VAL A 67 101.022 -8.279 -12.403 1.00 0.00 C ATOM 0 H VAL A 67 97.575 -8.579 -12.833 1.00 0.00 H new ATOM 0 HA VAL A 67 99.574 -10.016 -11.189 1.00 0.00 H new ATOM 0 HB VAL A 67 99.214 -7.136 -12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.918 -6.465 -10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.444 -7.075 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.889 -8.109 -9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.644 -7.399 -12.564 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.603 -9.045 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.683 -8.664 -13.365 1.00 0.00 H new ATOM 1090 N LEU A 68 97.981 -10.076 -9.321 1.00 0.00 N ATOM 1091 CA LEU A 68 97.253 -10.077 -8.063 1.00 0.00 C ATOM 1092 C LEU A 68 98.257 -10.295 -6.937 1.00 0.00 C ATOM 1093 O LEU A 68 98.926 -11.327 -6.888 1.00 0.00 O ATOM 1094 CB LEU A 68 96.200 -11.195 -8.081 1.00 0.00 C ATOM 1095 CG LEU A 68 95.836 -11.614 -6.654 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.315 -10.401 -5.875 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.749 -12.692 -6.707 1.00 0.00 C ATOM 0 H LEU A 68 98.381 -10.979 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 68 96.737 -9.129 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.307 -10.853 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.583 -12.054 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 68 96.721 -12.008 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.057 -10.704 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.087 -9.632 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.430 -10.003 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.486 -12.994 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.866 -12.294 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.120 -13.556 -7.258 1.00 0.00 H new ATOM 1109 N ILE A 69 98.382 -9.312 -6.051 1.00 0.00 N ATOM 1110 CA ILE A 69 99.340 -9.411 -4.949 1.00 0.00 C ATOM 1111 C ILE A 69 98.625 -9.516 -3.602 1.00 0.00 C ATOM 1112 O ILE A 69 97.588 -8.891 -3.388 1.00 0.00 O ATOM 1113 CB ILE A 69 100.270 -8.191 -4.990 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.190 -8.307 -6.221 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.117 -8.122 -3.712 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.303 -6.952 -6.924 1.00 0.00 C ATOM 0 H ILE A 69 97.841 -8.447 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 69 99.931 -10.320 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 69 99.672 -7.282 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.178 -8.650 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.794 -9.052 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.772 -7.252 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.461 -8.040 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.720 -9.026 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.955 -7.046 -7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.314 -6.626 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.720 -6.218 -6.234 1.00 0.00 H new ATOM 1128 N ARG A 70 99.197 -10.314 -2.694 1.00 0.00 N ATOM 1129 CA ARG A 70 98.617 -10.497 -1.363 1.00 0.00 C ATOM 1130 C ARG A 70 99.652 -10.248 -0.266 1.00 0.00 C ATOM 1131 O ARG A 70 100.762 -10.795 -0.295 1.00 0.00 O ATOM 1132 CB ARG A 70 98.044 -11.910 -1.225 1.00 0.00 C ATOM 1133 CG ARG A 70 97.428 -12.350 -2.557 1.00 0.00 C ATOM 1134 CD ARG A 70 96.482 -13.528 -2.314 1.00 0.00 C ATOM 1135 NE ARG A 70 97.185 -14.600 -1.610 1.00 0.00 N ATOM 1136 CZ ARG A 70 96.633 -15.244 -0.581 1.00 0.00 C ATOM 1137 NH1 ARG A 70 95.431 -14.935 -0.175 1.00 0.00 N ATOM 1138 NH2 ARG A 70 97.297 -16.191 0.021 1.00 0.00 N ATOM 0 H ARG A 70 100.056 -10.840 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 70 97.815 -9.768 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.831 -12.605 -0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.289 -11.931 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 70 96.885 -11.521 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 70 98.213 -12.638 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 70 95.623 -13.200 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 70 96.097 -13.898 -3.265 1.00 0.00 H new ATOM 0 HE ARG A 70 98.123 -14.862 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 70 94.908 -14.197 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 70 95.015 -15.432 0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 70 98.235 -16.437 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 70 96.878 -16.686 0.808 1.00 0.00 H new ATOM 1152 N MET A 71 99.267 -9.427 0.712 1.00 0.00 N ATOM 1153 CA MET A 71 100.141 -9.099 1.831 1.00 0.00 C ATOM 1154 C MET A 71 99.332 -9.051 3.125 1.00 0.00 C ATOM 1155 O MET A 71 98.165 -8.668 3.117 1.00 0.00 O ATOM 1156 CB MET A 71 100.810 -7.727 1.613 1.00 0.00 C ATOM 1157 CG MET A 71 101.053 -7.465 0.121 1.00 0.00 C ATOM 1158 SD MET A 71 101.262 -5.684 -0.158 1.00 0.00 S ATOM 1159 CE MET A 71 102.396 -5.341 1.212 1.00 0.00 C ATOM 0 H MET A 71 98.352 -8.978 0.749 1.00 0.00 H new ATOM 0 HA MET A 71 100.910 -9.868 1.899 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.178 -6.941 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.757 -7.691 2.151 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.941 -8.002 -0.213 1.00 0.00 H new ATOM 0 HG3 MET A 71 100.214 -7.839 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.962 -4.434 0.998 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.826 -5.204 2.131 1.00 0.00 H new ATOM 0 HE3 MET A 71 103.084 -6.178 1.333 1.00 0.00 H new ATOM 1169 N GLU A 72 99.967 -9.404 4.236 1.00 0.00 N ATOM 1170 CA GLU A 72 99.306 -9.355 5.537 1.00 0.00 C ATOM 1171 C GLU A 72 99.870 -8.168 6.300 1.00 0.00 C ATOM 1172 O GLU A 72 101.089 -8.034 6.416 1.00 0.00 O ATOM 1173 CB GLU A 72 99.545 -10.647 6.320 1.00 0.00 C ATOM 1174 CG GLU A 72 98.931 -10.516 7.717 1.00 0.00 C ATOM 1175 CD GLU A 72 98.773 -11.894 8.349 1.00 0.00 C ATOM 1176 OE1 GLU A 72 99.783 -12.497 8.672 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.642 -12.327 8.502 1.00 0.00 O ATOM 0 H GLU A 72 100.934 -9.726 4.264 1.00 0.00 H new ATOM 0 HA GLU A 72 98.230 -9.248 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.101 -11.492 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.614 -10.846 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.565 -9.890 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.961 -10.023 7.652 1.00 0.00 H new ATOM 1184 N ILE A 73 99.007 -7.276 6.769 1.00 0.00 N ATOM 1185 CA ILE A 73 99.493 -6.082 7.451 1.00 0.00 C ATOM 1186 C ILE A 73 98.764 -5.796 8.756 1.00 0.00 C ATOM 1187 O ILE A 73 97.647 -6.260 8.987 1.00 0.00 O ATOM 1188 CB ILE A 73 99.311 -4.886 6.523 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.804 -4.658 6.306 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.004 -5.165 5.178 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.560 -3.617 5.206 1.00 0.00 C ATOM 0 H ILE A 73 97.993 -7.351 6.694 1.00 0.00 H new ATOM 0 HA ILE A 73 100.541 -6.255 7.697 1.00 0.00 H new ATOM 0 HB ILE A 73 99.757 -3.995 6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.325 -5.599 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.345 -4.324 7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.873 -4.309 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.068 -5.335 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.563 -6.050 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.488 -3.474 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.019 -2.671 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.999 -3.966 4.271 1.00 0.00 H new ATOM 1203 N SER A 74 99.420 -4.996 9.592 1.00 0.00 N ATOM 1204 CA SER A 74 98.865 -4.591 10.878 1.00 0.00 C ATOM 1205 C SER A 74 98.779 -3.066 10.935 1.00 0.00 C ATOM 1206 O SER A 74 99.560 -2.370 10.286 1.00 0.00 O ATOM 1207 CB SER A 74 99.750 -5.101 12.015 1.00 0.00 C ATOM 1208 OG SER A 74 99.594 -6.509 12.135 1.00 0.00 O ATOM 0 H SER A 74 100.345 -4.613 9.398 1.00 0.00 H new ATOM 0 HA SER A 74 97.868 -5.017 10.989 1.00 0.00 H new ATOM 0 HB2 SER A 74 100.793 -4.854 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.478 -4.612 12.951 1.00 0.00 H new ATOM 0 HG SER A 74 100.161 -6.840 12.862 1.00 0.00 H new ATOM 1214 N LEU A 75 97.828 -2.549 11.706 1.00 0.00 N ATOM 1215 CA LEU A 75 97.663 -1.102 11.819 1.00 0.00 C ATOM 1216 C LEU A 75 98.863 -0.481 12.529 1.00 0.00 C ATOM 1217 O LEU A 75 99.180 -0.824 13.668 1.00 0.00 O ATOM 1218 CB LEU A 75 96.360 -0.768 12.557 1.00 0.00 C ATOM 1219 CG LEU A 75 95.756 0.528 12.002 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.243 0.303 10.575 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.595 0.966 12.893 1.00 0.00 C ATOM 0 H LEU A 75 97.168 -3.100 12.255 1.00 0.00 H new ATOM 0 HA LEU A 75 97.605 -0.679 10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.649 -1.587 12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.555 -0.660 13.624 1.00 0.00 H new ATOM 0 HG LEU A 75 96.524 1.301 11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.816 1.230 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.070 -0.008 9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.478 -0.473 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.163 1.887 12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.834 0.186 12.908 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.959 1.138 13.906 1.00 0.00 H new ATOM 1233 N ALA A 76 99.500 0.468 11.841 1.00 0.00 N ATOM 1234 CA ALA A 76 100.644 1.188 12.392 1.00 0.00 C ATOM 1235 C ALA A 76 100.206 2.537 12.971 1.00 0.00 C ATOM 1236 O ALA A 76 100.665 2.953 14.034 1.00 0.00 O ATOM 1237 CB ALA A 76 101.717 1.368 11.318 1.00 0.00 C ATOM 0 H ALA A 76 99.240 0.755 10.897 1.00 0.00 H new ATOM 0 HA ALA A 76 101.071 0.602 13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.566 1.906 11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.046 0.391 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.305 1.936 10.484 1.00 0.00 H new ATOM 1243 N TRP A 77 99.319 3.215 12.241 1.00 0.00 N ATOM 1244 CA TRP A 77 98.814 4.529 12.656 1.00 0.00 C ATOM 1245 C TRP A 77 97.647 4.959 11.760 1.00 0.00 C ATOM 1246 O TRP A 77 97.406 4.356 10.715 1.00 0.00 O ATOM 1247 CB TRP A 77 99.940 5.568 12.538 1.00 0.00 C ATOM 1248 CG TRP A 77 100.319 5.656 11.100 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.310 4.951 10.513 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.718 6.469 10.049 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.315 5.230 9.164 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.364 6.170 8.831 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.671 7.406 10.028 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.997 6.784 7.634 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.296 8.028 8.824 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.962 7.720 7.629 1.00 0.00 C ATOM 0 H TRP A 77 98.934 2.878 11.359 1.00 0.00 H new ATOM 0 HA TRP A 77 98.469 4.462 13.688 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.607 6.538 12.907 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.798 5.274 13.143 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.988 4.279 11.018 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.947 4.793 8.493 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.151 7.650 10.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.511 6.537 6.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.490 8.747 8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.675 8.206 6.708 1.00 0.00 H new ATOM 1267 N ALA A 78 96.942 6.016 12.162 1.00 0.00 N ATOM 1268 CA ALA A 78 95.823 6.534 11.371 1.00 0.00 C ATOM 1269 C ALA A 78 95.724 8.049 11.538 1.00 0.00 C ATOM 1270 O ALA A 78 95.611 8.540 12.661 1.00 0.00 O ATOM 1271 CB ALA A 78 94.524 5.898 11.870 1.00 0.00 C ATOM 0 H ALA A 78 97.123 6.529 13.025 1.00 0.00 H new ATOM 0 HA ALA A 78 95.985 6.294 10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.685 6.278 11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.583 4.815 11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.377 6.147 12.921 1.00 0.00 H new ATOM 1277 N ARG A 79 95.764 8.795 10.432 1.00 0.00 N ATOM 1278 CA ARG A 79 95.672 10.251 10.530 1.00 0.00 C ATOM 1279 C ARG A 79 95.070 10.894 9.277 1.00 0.00 C ATOM 1280 O ARG A 79 95.494 10.606 8.157 1.00 0.00 O ATOM 1281 CB ARG A 79 97.065 10.833 10.804 1.00 0.00 C ATOM 1282 CG ARG A 79 96.954 12.281 11.292 1.00 0.00 C ATOM 1283 CD ARG A 79 98.324 12.766 11.774 1.00 0.00 C ATOM 1284 NE ARG A 79 98.392 14.222 11.714 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.543 14.867 11.883 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.639 14.197 12.111 1.00 0.00 N ATOM 1287 NH2 ARG A 79 99.575 16.170 11.822 1.00 0.00 N ATOM 0 H ARG A 79 95.857 8.428 9.485 1.00 0.00 H new ATOM 0 HA ARG A 79 94.997 10.481 11.355 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.577 10.229 11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.667 10.794 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.593 12.920 10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.227 12.348 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.499 12.428 12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.110 12.332 11.156 1.00 0.00 H new ATOM 0 HE ARG A 79 97.541 14.756 11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.613 13.178 12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.522 14.692 12.241 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.718 16.693 11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 79 100.457 16.665 11.952 1.00 0.00 H new ATOM 1301 N ASP A 80 94.128 11.817 9.480 1.00 0.00 N ATOM 1302 CA ASP A 80 93.529 12.556 8.369 1.00 0.00 C ATOM 1303 C ASP A 80 92.887 11.666 7.307 1.00 0.00 C ATOM 1304 O ASP A 80 93.083 11.895 6.113 1.00 0.00 O ATOM 1305 CB ASP A 80 94.596 13.427 7.708 1.00 0.00 C ATOM 1306 CG ASP A 80 93.937 14.475 6.817 1.00 0.00 C ATOM 1307 OD1 ASP A 80 92.845 14.217 6.340 1.00 0.00 O ATOM 1308 OD2 ASP A 80 94.535 15.521 6.625 1.00 0.00 O ATOM 0 H ASP A 80 93.765 12.069 10.399 1.00 0.00 H new ATOM 0 HA ASP A 80 92.729 13.159 8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.202 13.916 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.269 12.806 7.116 1.00 0.00 H new ATOM 1313 N GLY A 81 92.086 10.690 7.718 1.00 0.00 N ATOM 1314 CA GLY A 81 91.396 9.843 6.749 1.00 0.00 C ATOM 1315 C GLY A 81 92.266 8.712 6.215 1.00 0.00 C ATOM 1316 O GLY A 81 91.745 7.674 5.807 1.00 0.00 O ATOM 0 H GLY A 81 91.899 10.467 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.506 9.420 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.057 10.457 5.915 1.00 0.00 H new ATOM 1320 N LEU A 82 93.580 8.902 6.194 1.00 0.00 N ATOM 1321 CA LEU A 82 94.464 7.865 5.676 1.00 0.00 C ATOM 1322 C LEU A 82 94.879 6.915 6.790 1.00 0.00 C ATOM 1323 O LEU A 82 94.841 7.270 7.968 1.00 0.00 O ATOM 1324 CB LEU A 82 95.704 8.504 5.046 1.00 0.00 C ATOM 1325 CG LEU A 82 95.300 9.786 4.316 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.518 10.372 3.600 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.213 9.465 3.286 1.00 0.00 C ATOM 0 H LEU A 82 94.050 9.746 6.522 1.00 0.00 H new ATOM 0 HA LEU A 82 93.928 7.297 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.442 8.728 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.171 7.808 4.350 1.00 0.00 H new ATOM 0 HG LEU A 82 94.919 10.509 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.230 11.286 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.295 10.600 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.899 9.649 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.924 10.378 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.596 8.742 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.344 9.046 3.793 1.00 0.00 H new ATOM 1339 N LEU A 83 95.262 5.703 6.408 1.00 0.00 N ATOM 1340 CA LEU A 83 95.668 4.697 7.379 1.00 0.00 C ATOM 1341 C LEU A 83 97.010 4.094 7.015 1.00 0.00 C ATOM 1342 O LEU A 83 97.239 3.743 5.857 1.00 0.00 O ATOM 1343 CB LEU A 83 94.647 3.554 7.352 1.00 0.00 C ATOM 1344 CG LEU A 83 93.229 4.108 7.498 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.226 2.974 7.267 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.039 4.682 8.907 1.00 0.00 C ATOM 0 H LEU A 83 95.300 5.394 5.437 1.00 0.00 H new ATOM 0 HA LEU A 83 95.731 5.175 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.734 3.001 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.856 2.851 8.159 1.00 0.00 H new ATOM 0 HG LEU A 83 93.068 4.900 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.211 3.359 7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.361 2.568 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.391 2.187 8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.027 5.075 9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.196 3.895 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.758 5.484 9.073 1.00 0.00 H new ATOM 1358 N GLY A 84 97.893 3.941 7.991 1.00 0.00 N ATOM 1359 CA GLY A 84 99.187 3.345 7.723 1.00 0.00 C ATOM 1360 C GLY A 84 99.145 1.870 8.058 1.00 0.00 C ATOM 1361 O GLY A 84 98.352 1.434 8.894 1.00 0.00 O ATOM 0 H GLY A 84 97.738 4.218 8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.452 3.483 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.957 3.841 8.314 1.00 0.00 H new ATOM 1365 N PHE A 85 99.986 1.101 7.397 1.00 0.00 N ATOM 1366 CA PHE A 85 100.021 -0.329 7.627 1.00 0.00 C ATOM 1367 C PHE A 85 101.435 -0.860 7.492 1.00 0.00 C ATOM 1368 O PHE A 85 102.125 -0.559 6.518 1.00 0.00 O ATOM 1369 CB PHE A 85 99.125 -1.020 6.603 1.00 0.00 C ATOM 1370 CG PHE A 85 97.696 -0.998 7.076 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.287 -1.864 8.093 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.779 -0.118 6.492 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.960 -1.852 8.528 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.450 -0.106 6.928 1.00 0.00 C ATOM 1375 CZ PHE A 85 95.041 -0.973 7.946 1.00 0.00 C ATOM 0 H PHE A 85 100.650 1.439 6.701 1.00 0.00 H new ATOM 0 HA PHE A 85 99.668 -0.532 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.206 -0.518 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.453 -2.049 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.997 -2.543 8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.097 0.551 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.643 -2.522 9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.740 0.573 6.479 1.00 0.00 H new ATOM 0 HZ PHE A 85 94.015 -0.964 8.283 1.00 0.00 H new ATOM 1385 N GLU A 86 101.865 -1.666 8.456 1.00 0.00 N ATOM 1386 CA GLU A 86 103.199 -2.240 8.402 1.00 0.00 C ATOM 1387 C GLU A 86 103.084 -3.703 7.978 1.00 0.00 C ATOM 1388 O GLU A 86 102.320 -4.468 8.566 1.00 0.00 O ATOM 1389 CB GLU A 86 103.877 -2.128 9.774 1.00 0.00 C ATOM 1390 CG GLU A 86 103.400 -3.259 10.691 1.00 0.00 C ATOM 1391 CD GLU A 86 103.746 -2.934 12.141 1.00 0.00 C ATOM 1392 OE1 GLU A 86 103.193 -1.980 12.662 1.00 0.00 O ATOM 1393 OE2 GLU A 86 104.559 -3.645 12.708 1.00 0.00 O ATOM 0 H GLU A 86 101.316 -1.933 9.273 1.00 0.00 H new ATOM 0 HA GLU A 86 103.809 -1.698 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.960 -2.175 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.647 -1.163 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 86 102.323 -3.394 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 86 103.869 -4.198 10.398 1.00 0.00 H new ATOM 1400 N CYS A 87 103.810 -4.078 6.934 1.00 0.00 N ATOM 1401 CA CYS A 87 103.740 -5.441 6.421 1.00 0.00 C ATOM 1402 C CYS A 87 104.254 -6.465 7.428 1.00 0.00 C ATOM 1403 O CYS A 87 105.417 -6.431 7.830 1.00 0.00 O ATOM 1404 CB CYS A 87 104.551 -5.548 5.129 1.00 0.00 C ATOM 1405 SG CYS A 87 104.042 -7.027 4.219 1.00 0.00 S ATOM 0 H CYS A 87 104.449 -3.464 6.429 1.00 0.00 H new ATOM 0 HA CYS A 87 102.690 -5.663 6.229 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.398 -4.660 4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.616 -5.597 5.358 1.00 0.00 H new ATOM 0 HG CYS A 87 104.729 -7.118 3.119 1.00 0.00 H new ATOM 1411 N GLN A 88 103.376 -7.389 7.818 1.00 0.00 N ATOM 1412 CA GLN A 88 103.741 -8.436 8.766 1.00 0.00 C ATOM 1413 C GLN A 88 104.290 -9.642 8.013 1.00 0.00 C ATOM 1414 O GLN A 88 105.229 -10.298 8.463 1.00 0.00 O ATOM 1415 CB GLN A 88 102.513 -8.876 9.570 1.00 0.00 C ATOM 1416 CG GLN A 88 101.822 -7.660 10.194 1.00 0.00 C ATOM 1417 CD GLN A 88 102.521 -7.266 11.491 1.00 0.00 C ATOM 1418 OE1 GLN A 88 102.890 -6.028 11.673 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 102.735 -8.109 12.363 1.00 0.00 N flip ATOM 0 H GLN A 88 102.410 -7.432 7.492 1.00 0.00 H new ATOM 0 HA GLN A 88 104.498 -8.041 9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 88 101.816 -9.406 8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 88 102.813 -9.573 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.839 -6.824 9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 88 100.775 -7.889 10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.446 -9.076 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.201 -7.840 13.229 1.00 0.00 H new ATOM 1428 N HIS A 89 103.691 -9.924 6.861 1.00 0.00 N ATOM 1429 CA HIS A 89 104.114 -11.048 6.037 1.00 0.00 C ATOM 1430 C HIS A 89 103.530 -10.910 4.635 1.00 0.00 C ATOM 1431 O HIS A 89 102.420 -10.428 4.466 1.00 0.00 O ATOM 1432 CB HIS A 89 103.651 -12.370 6.671 1.00 0.00 C ATOM 1433 CG HIS A 89 102.735 -13.099 5.722 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.182 -13.616 4.515 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.394 -13.386 5.779 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.127 -14.181 3.899 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.012 -14.069 4.627 1.00 0.00 N ATOM 0 H HIS A 89 102.911 -9.389 6.478 1.00 0.00 H new ATOM 0 HA HIS A 89 105.202 -11.051 5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.514 -12.992 6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.134 -12.172 7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.735 -13.122 6.593 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.176 -14.665 2.935 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.081 -14.411 4.390 1.00 0.00 H new ATOM 1445 N ILE A 90 104.288 -11.332 3.637 1.00 0.00 N ATOM 1446 CA ILE A 90 103.841 -11.249 2.250 1.00 0.00 C ATOM 1447 C ILE A 90 104.332 -12.462 1.469 1.00 0.00 C ATOM 1448 O ILE A 90 105.443 -12.951 1.675 1.00 0.00 O ATOM 1449 CB ILE A 90 104.339 -9.949 1.617 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.013 -9.947 0.117 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.850 -9.823 1.832 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.451 -8.619 -0.502 1.00 0.00 C ATOM 0 H ILE A 90 105.217 -11.736 3.758 1.00 0.00 H new ATOM 0 HA ILE A 90 102.751 -11.246 2.223 1.00 0.00 H new ATOM 0 HB ILE A 90 103.842 -9.100 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.521 -10.775 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.944 -10.094 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.206 -8.897 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.066 -9.813 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.355 -10.670 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.219 -8.620 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.922 -7.799 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.525 -8.490 -0.365 1.00 0.00 H new ATOM 1464 N ASP A 91 103.456 -12.963 0.596 1.00 0.00 N ATOM 1465 CA ASP A 91 103.756 -14.152 -0.201 1.00 0.00 C ATOM 1466 C ASP A 91 105.022 -13.976 -1.043 1.00 0.00 C ATOM 1467 O ASP A 91 105.282 -12.905 -1.590 1.00 0.00 O ATOM 1468 CB ASP A 91 102.559 -14.473 -1.109 1.00 0.00 C ATOM 1469 CG ASP A 91 101.949 -15.822 -0.733 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.776 -16.062 0.450 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.665 -16.593 -1.634 1.00 0.00 O ATOM 0 H ASP A 91 102.534 -12.563 0.424 1.00 0.00 H new ATOM 0 HA ASP A 91 103.937 -14.979 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.807 -13.689 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.879 -14.490 -2.151 1.00 0.00 H new ATOM 1476 N LEU A 92 105.801 -15.052 -1.129 1.00 0.00 N ATOM 1477 CA LEU A 92 107.045 -15.030 -1.897 1.00 0.00 C ATOM 1478 C LEU A 92 106.779 -14.569 -3.328 1.00 0.00 C ATOM 1479 O LEU A 92 107.536 -13.775 -3.884 1.00 0.00 O ATOM 1480 CB LEU A 92 107.672 -16.429 -1.915 1.00 0.00 C ATOM 1481 CG LEU A 92 109.176 -16.321 -2.209 1.00 0.00 C ATOM 1482 CD1 LEU A 92 109.950 -16.176 -0.896 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.649 -17.583 -2.937 1.00 0.00 C ATOM 0 H LEU A 92 105.595 -15.945 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 92 107.734 -14.331 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.514 -16.921 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.187 -17.045 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 92 109.356 -15.448 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.016 -16.100 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.619 -15.277 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.767 -17.048 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.716 -17.505 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.464 -18.455 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.103 -17.688 -3.875 1.00 0.00 H new ATOM 1495 N ASP A 93 105.695 -15.062 -3.913 1.00 0.00 N ATOM 1496 CA ASP A 93 105.336 -14.679 -5.271 1.00 0.00 C ATOM 1497 C ASP A 93 104.995 -13.196 -5.306 1.00 0.00 C ATOM 1498 O ASP A 93 105.411 -12.469 -6.208 1.00 0.00 O ATOM 1499 CB ASP A 93 104.135 -15.497 -5.752 1.00 0.00 C ATOM 1500 CG ASP A 93 104.300 -16.956 -5.341 1.00 0.00 C ATOM 1501 OD1 ASP A 93 103.972 -17.272 -4.208 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.749 -17.736 -6.164 1.00 0.00 O ATOM 0 H ASP A 93 105.054 -15.722 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 93 106.181 -14.875 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.216 -15.093 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.045 -15.424 -6.836 1.00 0.00 H new ATOM 1507 N SER A 94 104.245 -12.755 -4.302 1.00 0.00 N ATOM 1508 CA SER A 94 103.861 -11.356 -4.204 1.00 0.00 C ATOM 1509 C SER A 94 105.094 -10.502 -3.942 1.00 0.00 C ATOM 1510 O SER A 94 105.201 -9.378 -4.432 1.00 0.00 O ATOM 1511 CB SER A 94 102.857 -11.171 -3.065 1.00 0.00 C ATOM 1512 OG SER A 94 103.125 -12.123 -2.047 1.00 0.00 O ATOM 0 H SER A 94 103.893 -13.345 -3.548 1.00 0.00 H new ATOM 0 HA SER A 94 103.400 -11.046 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 94 102.928 -10.161 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 94 101.840 -11.295 -3.437 1.00 0.00 H new ATOM 0 HG SER A 94 104.079 -12.104 -1.824 1.00 0.00 H new ATOM 1518 N ILE A 95 106.025 -11.050 -3.169 1.00 0.00 N ATOM 1519 CA ILE A 95 107.252 -10.336 -2.849 1.00 0.00 C ATOM 1520 C ILE A 95 108.000 -9.982 -4.120 1.00 0.00 C ATOM 1521 O ILE A 95 108.609 -8.916 -4.208 1.00 0.00 O ATOM 1522 CB ILE A 95 108.158 -11.196 -1.954 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.655 -11.145 -0.510 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.596 -10.666 -2.003 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.386 -12.191 0.341 1.00 0.00 C ATOM 0 H ILE A 95 105.953 -11.980 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 95 106.984 -9.423 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 95 108.137 -12.224 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.817 -10.150 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.581 -11.330 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.232 -11.281 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 95 109.963 -10.705 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.616 -9.635 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.020 -12.146 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.202 -13.185 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.457 -11.987 0.328 1.00 0.00 H new ATOM 1537 N SER A 96 107.990 -10.890 -5.092 1.00 0.00 N ATOM 1538 CA SER A 96 108.723 -10.641 -6.324 1.00 0.00 C ATOM 1539 C SER A 96 108.069 -9.535 -7.148 1.00 0.00 C ATOM 1540 O SER A 96 108.766 -8.727 -7.760 1.00 0.00 O ATOM 1541 CB SER A 96 108.837 -11.913 -7.150 1.00 0.00 C ATOM 1542 OG SER A 96 110.130 -11.987 -7.736 1.00 0.00 O ATOM 0 H SER A 96 107.496 -11.781 -5.052 1.00 0.00 H new ATOM 0 HA SER A 96 109.724 -10.311 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.662 -12.785 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.073 -11.923 -7.928 1.00 0.00 H new ATOM 0 HG SER A 96 110.202 -12.808 -8.266 1.00 0.00 H new ATOM 1548 N HIS A 97 106.744 -9.488 -7.168 1.00 0.00 N ATOM 1549 CA HIS A 97 106.074 -8.449 -7.935 1.00 0.00 C ATOM 1550 C HIS A 97 106.452 -7.077 -7.378 1.00 0.00 C ATOM 1551 O HIS A 97 106.626 -6.121 -8.131 1.00 0.00 O ATOM 1552 CB HIS A 97 104.560 -8.636 -7.903 1.00 0.00 C ATOM 1553 CG HIS A 97 104.140 -9.688 -8.887 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.885 -9.393 -10.216 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.897 -11.031 -8.746 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.505 -10.532 -10.817 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.495 -11.563 -9.967 1.00 0.00 N ATOM 0 H HIS A 97 106.128 -10.136 -6.678 1.00 0.00 H new ATOM 0 HA HIS A 97 106.398 -8.518 -8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.244 -8.921 -6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 97 104.066 -7.693 -8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 97 104.002 -11.590 -7.828 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.240 -10.606 -11.861 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.246 -12.531 -10.170 1.00 0.00 H new ATOM 1565 N LEU A 98 106.616 -6.995 -6.063 1.00 0.00 N ATOM 1566 CA LEU A 98 107.018 -5.739 -5.439 1.00 0.00 C ATOM 1567 C LEU A 98 108.396 -5.329 -5.958 1.00 0.00 C ATOM 1568 O LEU A 98 108.650 -4.143 -6.164 1.00 0.00 O ATOM 1569 CB LEU A 98 107.039 -5.878 -3.910 1.00 0.00 C ATOM 1570 CG LEU A 98 105.728 -5.344 -3.323 1.00 0.00 C ATOM 1571 CD1 LEU A 98 104.551 -6.151 -3.873 1.00 0.00 C ATOM 1572 CD2 LEU A 98 105.767 -5.474 -1.798 1.00 0.00 C ATOM 0 H LEU A 98 106.479 -7.771 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 98 106.294 -4.966 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 98 107.173 -6.923 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.884 -5.327 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 98 105.607 -4.297 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 98 103.620 -5.769 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 98 104.524 -6.061 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 98 104.669 -7.199 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 98 104.836 -5.095 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 98 105.889 -6.522 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 98 106.604 -4.897 -1.405 1.00 0.00 H new ATOM 1584 N ARG A 99 109.272 -6.297 -6.205 1.00 0.00 N ATOM 1585 CA ARG A 99 110.592 -5.965 -6.741 1.00 0.00 C ATOM 1586 C ARG A 99 110.429 -5.402 -8.151 1.00 0.00 C ATOM 1587 O ARG A 99 111.107 -4.452 -8.537 1.00 0.00 O ATOM 1588 CB ARG A 99 111.508 -7.197 -6.784 1.00 0.00 C ATOM 1589 CG ARG A 99 111.113 -8.182 -5.688 1.00 0.00 C ATOM 1590 CD ARG A 99 111.420 -7.587 -4.316 1.00 0.00 C ATOM 1591 NE ARG A 99 112.864 -7.436 -4.140 1.00 0.00 N ATOM 1592 CZ ARG A 99 113.457 -6.243 -4.184 1.00 0.00 C ATOM 1593 NH1 ARG A 99 112.755 -5.160 -4.388 1.00 0.00 N ATOM 1594 NH2 ARG A 99 114.749 -6.156 -4.020 1.00 0.00 N ATOM 0 H ARG A 99 109.103 -7.291 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 99 111.054 -5.226 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 99 111.437 -7.679 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 99 112.546 -6.893 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 99 110.051 -8.415 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 99 111.655 -9.119 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 99 110.931 -6.618 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.017 -8.231 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 99 113.433 -8.267 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 99 111.745 -5.223 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 99 113.217 -4.251 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 99 115.301 -6.999 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 99 115.207 -5.245 -4.053 1.00 0.00 H new ATOM 1608 N ARG A 100 109.514 -6.002 -8.907 1.00 0.00 N ATOM 1609 CA ARG A 100 109.236 -5.570 -10.274 1.00 0.00 C ATOM 1610 C ARG A 100 108.724 -4.133 -10.299 1.00 0.00 C ATOM 1611 O ARG A 100 109.191 -3.311 -11.086 1.00 0.00 O ATOM 1612 CB ARG A 100 108.183 -6.489 -10.895 1.00 0.00 C ATOM 1613 CG ARG A 100 108.766 -7.895 -11.058 1.00 0.00 C ATOM 1614 CD ARG A 100 107.714 -8.830 -11.677 1.00 0.00 C ATOM 1615 NE ARG A 100 106.427 -8.150 -11.796 1.00 0.00 N ATOM 1616 CZ ARG A 100 105.555 -8.485 -12.743 1.00 0.00 C ATOM 1617 NH1 ARG A 100 105.839 -9.440 -13.587 1.00 0.00 N ATOM 1618 NH2 ARG A 100 104.413 -7.859 -12.826 1.00 0.00 N ATOM 0 H ARG A 100 108.950 -6.792 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 100 110.163 -5.620 -10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 100 107.296 -6.523 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.870 -6.099 -11.863 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.652 -7.859 -11.692 1.00 0.00 H new ATOM 0 HG3 ARG A 100 109.083 -8.281 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 100 108.048 -9.162 -12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 100 107.604 -9.722 -11.060 1.00 0.00 H new ATOM 0 HE ARG A 100 106.192 -7.404 -11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 100 106.731 -9.931 -13.521 1.00 0.00 H new ATOM 0 HH12 ARG A 100 105.169 -9.695 -14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 100 104.190 -7.114 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 100 103.743 -8.114 -13.551 1.00 0.00 H new ATOM 1632 N LEU A 101 107.759 -3.838 -9.432 1.00 0.00 N ATOM 1633 CA LEU A 101 107.189 -2.496 -9.365 1.00 0.00 C ATOM 1634 C LEU A 101 108.266 -1.487 -8.979 1.00 0.00 C ATOM 1635 O LEU A 101 108.317 -0.377 -9.508 1.00 0.00 O ATOM 1636 CB LEU A 101 106.056 -2.457 -8.323 1.00 0.00 C ATOM 1637 CG LEU A 101 104.697 -2.753 -8.977 1.00 0.00 C ATOM 1638 CD1 LEU A 101 104.373 -1.690 -10.036 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.721 -4.143 -9.625 1.00 0.00 C ATOM 0 H LEU A 101 107.358 -4.504 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 101 106.789 -2.238 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.253 -3.188 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.029 -1.477 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 101 103.925 -2.729 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 101 103.408 -1.912 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 101 104.335 -0.707 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.146 -1.695 -10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 101 103.755 -4.346 -10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 101 105.501 -4.176 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 101 104.925 -4.896 -8.864 1.00 0.00 H new ATOM 1651 N VAL A 102 109.115 -1.885 -8.040 1.00 0.00 N ATOM 1652 CA VAL A 102 110.188 -1.023 -7.559 1.00 0.00 C ATOM 1653 C VAL A 102 111.246 -0.789 -8.635 1.00 0.00 C ATOM 1654 O VAL A 102 111.673 0.340 -8.860 1.00 0.00 O ATOM 1655 CB VAL A 102 110.840 -1.665 -6.336 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.031 -0.816 -5.883 1.00 0.00 C ATOM 1657 CG2 VAL A 102 109.814 -1.765 -5.199 1.00 0.00 C ATOM 0 H VAL A 102 109.081 -2.802 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 102 109.756 -0.057 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 102 111.189 -2.665 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.495 -1.276 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.761 -0.752 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 102 111.687 0.186 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.281 -2.223 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 102 109.461 -0.767 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 102 108.971 -2.376 -5.522 1.00 0.00 H new ATOM 1667 N GLU A 103 111.679 -1.865 -9.282 1.00 0.00 N ATOM 1668 CA GLU A 103 112.703 -1.766 -10.318 1.00 0.00 C ATOM 1669 C GLU A 103 112.212 -0.953 -11.511 1.00 0.00 C ATOM 1670 O GLU A 103 112.948 -0.132 -12.057 1.00 0.00 O ATOM 1671 CB GLU A 103 113.100 -3.169 -10.793 1.00 0.00 C ATOM 1672 CG GLU A 103 114.242 -3.702 -9.929 1.00 0.00 C ATOM 1673 CD GLU A 103 115.558 -3.052 -10.343 1.00 0.00 C ATOM 1674 OE1 GLU A 103 115.739 -2.832 -11.530 1.00 0.00 O ATOM 1675 OE2 GLU A 103 116.365 -2.783 -9.469 1.00 0.00 O ATOM 0 H GLU A 103 111.340 -2.811 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 103 113.566 -1.259 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 103 112.243 -3.840 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 103 113.407 -3.136 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.040 -3.496 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 103 114.313 -4.785 -10.034 1.00 0.00 H new ATOM 1682 N LEU A 104 110.976 -1.198 -11.921 1.00 0.00 N ATOM 1683 CA LEU A 104 110.418 -0.492 -13.066 1.00 0.00 C ATOM 1684 C LEU A 104 110.252 0.997 -12.770 1.00 0.00 C ATOM 1685 O LEU A 104 110.286 1.825 -13.680 1.00 0.00 O ATOM 1686 CB LEU A 104 109.063 -1.093 -13.443 1.00 0.00 C ATOM 1687 CG LEU A 104 109.266 -2.462 -14.103 1.00 0.00 C ATOM 1688 CD1 LEU A 104 107.922 -3.190 -14.178 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.831 -2.285 -15.520 1.00 0.00 C ATOM 0 H LEU A 104 110.347 -1.872 -11.485 1.00 0.00 H new ATOM 0 HA LEU A 104 111.112 -0.602 -13.899 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.441 -1.197 -12.554 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.536 -0.425 -14.125 1.00 0.00 H new ATOM 0 HG LEU A 104 109.970 -3.045 -13.510 1.00 0.00 H new ATOM 0 HD11 LEU A 104 108.062 -4.164 -14.647 1.00 0.00 H new ATOM 0 HD12 LEU A 104 107.525 -3.325 -13.172 1.00 0.00 H new ATOM 0 HD13 LEU A 104 107.221 -2.600 -14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 104 109.972 -3.263 -15.980 1.00 0.00 H new ATOM 0 HD22 LEU A 104 109.134 -1.699 -16.119 1.00 0.00 H new ATOM 0 HD23 LEU A 104 110.789 -1.767 -15.468 1.00 0.00 H new ATOM 1701 N ASN A 105 110.069 1.333 -11.498 1.00 0.00 N ATOM 1702 CA ASN A 105 109.895 2.730 -11.112 1.00 0.00 C ATOM 1703 C ASN A 105 111.112 3.560 -11.518 1.00 0.00 C ATOM 1704 O ASN A 105 110.989 4.744 -11.826 1.00 0.00 O ATOM 1705 CB ASN A 105 109.680 2.834 -9.601 1.00 0.00 C ATOM 1706 CG ASN A 105 108.254 2.426 -9.245 1.00 0.00 C ATOM 1707 OD1 ASN A 105 108.046 1.640 -8.321 1.00 0.00 O ATOM 1708 ND2 ASN A 105 107.255 2.916 -9.926 1.00 0.00 N ATOM 0 H ASN A 105 110.037 0.668 -10.725 1.00 0.00 H new ATOM 0 HA ASN A 105 109.019 3.121 -11.629 1.00 0.00 H new ATOM 0 HB2 ASN A 105 110.391 2.193 -9.080 1.00 0.00 H new ATOM 0 HB3 ASN A 105 109.868 3.855 -9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 105 106.299 2.648 -9.693 1.00 0.00 H new ATOM 0 HD22 ASN A 105 107.430 3.567 -10.691 1.00 0.00 H new ATOM 1715 N LEU A 106 112.284 2.932 -11.516 1.00 0.00 N ATOM 1716 CA LEU A 106 113.514 3.626 -11.889 1.00 0.00 C ATOM 1717 C LEU A 106 113.419 4.150 -13.318 1.00 0.00 C ATOM 1718 O LEU A 106 114.175 5.038 -13.715 1.00 0.00 O ATOM 1719 CB LEU A 106 114.715 2.681 -11.765 1.00 0.00 C ATOM 1720 CG LEU A 106 115.158 2.575 -10.298 1.00 0.00 C ATOM 1721 CD1 LEU A 106 115.829 3.882 -9.849 1.00 0.00 C ATOM 1722 CD2 LEU A 106 113.940 2.297 -9.415 1.00 0.00 C ATOM 0 H LEU A 106 112.409 1.952 -11.263 1.00 0.00 H new ATOM 0 HA LEU A 106 113.650 4.469 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 106 114.451 1.694 -12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 106 115.540 3.048 -12.376 1.00 0.00 H new ATOM 0 HG LEU A 106 115.874 1.759 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 106 116.138 3.793 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.703 4.075 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 106 115.123 4.706 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 106 114.255 2.222 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 106 113.222 3.110 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 106 113.474 1.360 -9.722 1.00 0.00 H new ATOM 1734 N GLY A 107 112.488 3.597 -14.087 1.00 0.00 N ATOM 1735 CA GLY A 107 112.306 4.021 -15.468 1.00 0.00 C ATOM 1736 C GLY A 107 111.717 5.426 -15.520 1.00 0.00 C ATOM 1737 O GLY A 107 111.464 5.966 -16.597 1.00 0.00 O ATOM 0 H GLY A 107 111.853 2.860 -13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 107 113.263 4.001 -15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 107 111.646 3.324 -15.985 1.00 0.00 H new ATOM 1741 N ASP A 108 111.501 6.010 -14.347 1.00 0.00 N ATOM 1742 CA ASP A 108 110.940 7.352 -14.262 1.00 0.00 C ATOM 1743 C ASP A 108 112.030 8.402 -14.453 1.00 0.00 C ATOM 1744 O ASP A 108 111.814 9.588 -14.203 1.00 0.00 O ATOM 1745 CB ASP A 108 110.268 7.551 -12.901 1.00 0.00 C ATOM 1746 CG ASP A 108 111.285 7.347 -11.784 1.00 0.00 C ATOM 1747 OD1 ASP A 108 112.470 7.395 -12.072 1.00 0.00 O ATOM 1748 OD2 ASP A 108 110.865 7.146 -10.656 1.00 0.00 O ATOM 0 H ASP A 108 111.705 5.577 -13.446 1.00 0.00 H new ATOM 0 HA ASP A 108 110.199 7.467 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 108 109.843 8.553 -12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 108 109.444 6.847 -12.787 1.00 0.00 H new ATOM 1753 N GLU A 109 113.201 7.959 -14.896 1.00 0.00 N ATOM 1754 CA GLU A 109 114.318 8.871 -15.117 1.00 0.00 C ATOM 1755 C GLU A 109 114.088 9.705 -16.375 1.00 0.00 C ATOM 1756 O GLU A 109 115.035 10.209 -16.979 1.00 0.00 O ATOM 1757 CB GLU A 109 115.624 8.079 -15.251 1.00 0.00 C ATOM 1758 CG GLU A 109 116.210 7.811 -13.862 1.00 0.00 C ATOM 1759 CD GLU A 109 116.883 9.071 -13.329 1.00 0.00 C ATOM 1760 OE1 GLU A 109 117.677 9.647 -14.055 1.00 0.00 O ATOM 1761 OE2 GLU A 109 116.596 9.443 -12.203 1.00 0.00 O ATOM 0 H GLU A 109 113.401 6.982 -15.108 1.00 0.00 H new ATOM 0 HA GLU A 109 114.391 9.542 -14.261 1.00 0.00 H new ATOM 0 HB2 GLU A 109 115.438 7.136 -15.766 1.00 0.00 H new ATOM 0 HB3 GLU A 109 116.338 8.637 -15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 109 115.421 7.494 -13.180 1.00 0.00 H new ATOM 0 HG3 GLU A 109 116.933 6.997 -13.914 1.00 0.00 H new ATOM 1768 N GLU A 110 112.826 9.850 -16.764 1.00 0.00 N ATOM 1769 CA GLU A 110 112.491 10.630 -17.949 1.00 0.00 C ATOM 1770 C GLU A 110 112.803 12.106 -17.721 1.00 0.00 C ATOM 1771 O GLU A 110 113.950 12.534 -17.842 1.00 0.00 O ATOM 1772 CB GLU A 110 111.006 10.465 -18.281 1.00 0.00 C ATOM 1773 CG GLU A 110 110.730 9.014 -18.677 1.00 0.00 C ATOM 1774 CD GLU A 110 109.228 8.754 -18.689 1.00 0.00 C ATOM 1775 OE1 GLU A 110 108.482 9.709 -18.839 1.00 0.00 O ATOM 1776 OE2 GLU A 110 108.844 7.605 -18.548 1.00 0.00 O ATOM 0 H GLU A 110 112.025 9.442 -16.281 1.00 0.00 H new ATOM 0 HA GLU A 110 113.091 10.267 -18.783 1.00 0.00 H new ATOM 0 HB2 GLU A 110 110.397 10.740 -17.420 1.00 0.00 H new ATOM 0 HB3 GLU A 110 110.728 11.134 -19.095 1.00 0.00 H new ATOM 0 HG2 GLU A 110 111.151 8.811 -19.662 1.00 0.00 H new ATOM 0 HG3 GLU A 110 111.219 8.338 -17.976 1.00 0.00 H new ATOM 1783 N LEU A 111 111.772 12.877 -17.386 1.00 0.00 N ATOM 1784 CA LEU A 111 111.942 14.307 -17.139 1.00 0.00 C ATOM 1785 C LEU A 111 111.075 14.748 -15.963 1.00 0.00 C ATOM 1786 O LEU A 111 110.008 15.331 -16.153 1.00 0.00 O ATOM 1787 CB LEU A 111 111.548 15.106 -18.385 1.00 0.00 C ATOM 1788 CG LEU A 111 112.594 14.906 -19.489 1.00 0.00 C ATOM 1789 CD1 LEU A 111 112.048 15.457 -20.809 1.00 0.00 C ATOM 1790 CD2 LEU A 111 113.890 15.644 -19.126 1.00 0.00 C ATOM 0 H LEU A 111 110.816 12.539 -17.280 1.00 0.00 H new ATOM 0 HA LEU A 111 112.990 14.494 -16.903 1.00 0.00 H new ATOM 0 HB2 LEU A 111 110.568 14.785 -18.738 1.00 0.00 H new ATOM 0 HB3 LEU A 111 111.466 16.164 -18.138 1.00 0.00 H new ATOM 0 HG LEU A 111 112.807 13.842 -19.592 1.00 0.00 H new ATOM 0 HD11 LEU A 111 112.789 15.317 -21.596 1.00 0.00 H new ATOM 0 HD12 LEU A 111 111.133 14.927 -21.073 1.00 0.00 H new ATOM 0 HD13 LEU A 111 111.833 16.520 -20.698 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.626 15.496 -19.916 1.00 0.00 H new ATOM 0 HD22 LEU A 111 113.684 16.709 -19.017 1.00 0.00 H new ATOM 0 HD23 LEU A 111 114.281 15.252 -18.187 1.00 0.00 H new ATOM 1802 N LEU A 112 111.537 14.463 -14.747 1.00 0.00 N ATOM 1803 CA LEU A 112 110.786 14.835 -13.552 1.00 0.00 C ATOM 1804 C LEU A 112 111.608 14.568 -12.292 1.00 0.00 C ATOM 1805 O LEU A 112 112.277 15.463 -11.774 1.00 0.00 O ATOM 1806 CB LEU A 112 109.477 14.041 -13.496 1.00 0.00 C ATOM 1807 CG LEU A 112 108.611 14.531 -12.328 1.00 0.00 C ATOM 1808 CD1 LEU A 112 107.983 15.887 -12.673 1.00 0.00 C ATOM 1809 CD2 LEU A 112 107.502 13.511 -12.060 1.00 0.00 C ATOM 0 H LEU A 112 112.417 13.981 -14.565 1.00 0.00 H new ATOM 0 HA LEU A 112 110.563 15.901 -13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 112 108.934 14.155 -14.434 1.00 0.00 H new ATOM 0 HB3 LEU A 112 109.692 12.979 -13.379 1.00 0.00 H new ATOM 0 HG LEU A 112 109.234 14.642 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 112 107.370 16.227 -11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.771 16.615 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 112 107.361 15.784 -13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 112 106.884 13.855 -11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 112 106.885 13.402 -12.952 1.00 0.00 H new ATOM 0 HD23 LEU A 112 107.946 12.549 -11.806 1.00 0.00 H new ATOM 1821 N GLU A 113 111.545 13.334 -11.799 1.00 0.00 N ATOM 1822 CA GLU A 113 112.278 12.961 -10.593 1.00 0.00 C ATOM 1823 C GLU A 113 113.745 13.369 -10.699 1.00 0.00 C ATOM 1824 O GLU A 113 114.303 13.445 -11.794 1.00 0.00 O ATOM 1825 CB GLU A 113 112.182 11.448 -10.373 1.00 0.00 C ATOM 1826 CG GLU A 113 112.504 11.119 -8.913 1.00 0.00 C ATOM 1827 CD GLU A 113 112.712 9.618 -8.752 1.00 0.00 C ATOM 1828 OE1 GLU A 113 111.731 8.919 -8.568 1.00 0.00 O ATOM 1829 OE2 GLU A 113 113.853 9.189 -8.815 1.00 0.00 O ATOM 0 H GLU A 113 110.997 12.580 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 113 111.832 13.484 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 113 111.181 11.097 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 113 112.876 10.930 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 113 113.400 11.655 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 113 111.691 11.453 -8.268 1.00 0.00 H new ATOM 1836 N ARG A 114 114.363 13.626 -9.550 1.00 0.00 N ATOM 1837 CA ARG A 114 115.767 14.020 -9.516 1.00 0.00 C ATOM 1838 C ARG A 114 116.310 13.936 -8.092 1.00 0.00 C ATOM 1839 O ARG A 114 115.608 13.512 -7.174 1.00 0.00 O ATOM 1840 CB ARG A 114 115.927 15.448 -10.042 1.00 0.00 C ATOM 1841 CG ARG A 114 114.908 16.363 -9.360 1.00 0.00 C ATOM 1842 CD ARG A 114 115.048 17.783 -9.911 1.00 0.00 C ATOM 1843 NE ARG A 114 114.299 18.721 -9.083 1.00 0.00 N ATOM 1844 CZ ARG A 114 114.273 20.019 -9.365 1.00 0.00 C ATOM 1845 NH1 ARG A 114 114.931 20.478 -10.395 1.00 0.00 N ATOM 1846 NH2 ARG A 114 113.590 20.837 -8.611 1.00 0.00 N ATOM 0 H ARG A 114 113.916 13.569 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 114 116.331 13.337 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 114 116.938 15.806 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 114 115.782 15.467 -11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 114 113.898 15.992 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 114 115.067 16.363 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 114 116.100 18.069 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 114 114.682 17.820 -10.937 1.00 0.00 H new ATOM 0 HE ARG A 114 113.786 18.374 -8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 114 115.466 19.840 -10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 114 114.910 21.475 -10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 114 113.076 20.480 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 114 113.570 21.834 -8.827 1.00 0.00 H new ATOM 1860 N GLU A 115 117.565 14.339 -7.914 1.00 0.00 N ATOM 1861 CA GLU A 115 118.190 14.300 -6.595 1.00 0.00 C ATOM 1862 C GLU A 115 117.744 15.490 -5.750 1.00 0.00 C ATOM 1863 O GLU A 115 117.664 15.396 -4.526 1.00 0.00 O ATOM 1864 CB GLU A 115 119.714 14.317 -6.740 1.00 0.00 C ATOM 1865 CG GLU A 115 120.203 12.934 -7.177 1.00 0.00 C ATOM 1866 CD GLU A 115 121.711 12.960 -7.401 1.00 0.00 C ATOM 1867 OE1 GLU A 115 122.122 13.355 -8.480 1.00 0.00 O ATOM 1868 OE2 GLU A 115 122.433 12.584 -6.491 1.00 0.00 O ATOM 0 H GLU A 115 118.165 14.693 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 115 117.881 13.382 -6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 115 120.011 15.067 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 115 120.177 14.595 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 115 119.953 12.194 -6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 115 119.696 12.633 -8.094 1.00 0.00 H new ATOM 1875 N LEU A 116 117.454 16.608 -6.410 1.00 0.00 N ATOM 1876 CA LEU A 116 117.017 17.806 -5.702 1.00 0.00 C ATOM 1877 C LEU A 116 115.812 17.497 -4.819 1.00 0.00 C ATOM 1878 O LEU A 116 115.778 17.867 -3.646 1.00 0.00 O ATOM 1879 CB LEU A 116 116.653 18.906 -6.709 1.00 0.00 C ATOM 1880 CG LEU A 116 117.881 19.775 -6.993 1.00 0.00 C ATOM 1881 CD1 LEU A 116 118.999 18.905 -7.574 1.00 0.00 C ATOM 1882 CD2 LEU A 116 117.512 20.874 -7.997 1.00 0.00 C ATOM 0 H LEU A 116 117.513 16.709 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 116 117.835 18.152 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 116 116.290 18.459 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 116 115.844 19.521 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 116 118.223 20.233 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 116 119.873 19.523 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 116 119.263 18.126 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 116 118.657 18.445 -8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 116 118.387 21.492 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 116 117.168 20.418 -8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 116 116.718 21.494 -7.582 1.00 0.00 H new ATOM 1894 N ALA A 117 114.828 16.812 -5.388 1.00 0.00 N ATOM 1895 CA ALA A 117 113.626 16.448 -4.649 1.00 0.00 C ATOM 1896 C ALA A 117 113.930 15.431 -3.555 1.00 0.00 C ATOM 1897 O ALA A 117 113.532 15.604 -2.404 1.00 0.00 O ATOM 1898 CB ALA A 117 112.632 15.815 -5.624 1.00 0.00 C ATOM 0 H ALA A 117 114.839 16.498 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 117 113.221 17.348 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 117 111.725 15.536 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 117 112.385 16.531 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.077 14.927 -6.072 1.00 0.00 H new ATOM 1904 N LEU A 118 114.595 14.349 -3.939 1.00 0.00 N ATOM 1905 CA LEU A 118 114.904 13.272 -3.003 1.00 0.00 C ATOM 1906 C LEU A 118 115.716 13.748 -1.800 1.00 0.00 C ATOM 1907 O LEU A 118 115.377 13.432 -0.660 1.00 0.00 O ATOM 1908 CB LEU A 118 115.680 12.169 -3.728 1.00 0.00 C ATOM 1909 CG LEU A 118 114.803 11.548 -4.821 1.00 0.00 C ATOM 1910 CD1 LEU A 118 115.645 10.579 -5.654 1.00 0.00 C ATOM 1911 CD2 LEU A 118 113.631 10.788 -4.182 1.00 0.00 C ATOM 0 H LEU A 118 114.931 14.193 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 118 113.953 12.894 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 118 116.588 12.580 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 118 115.989 11.402 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 118 114.410 12.338 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 118 115.025 10.135 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 118 116.473 11.119 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 118 116.038 9.792 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 118 113.012 10.349 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 118 114.017 9.997 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 118 113.031 11.477 -3.588 1.00 0.00 H new ATOM 1923 N LEU A 119 116.793 14.484 -2.040 1.00 0.00 N ATOM 1924 CA LEU A 119 117.623 14.943 -0.930 1.00 0.00 C ATOM 1925 C LEU A 119 116.940 16.055 -0.138 1.00 0.00 C ATOM 1926 O LEU A 119 116.909 16.011 1.092 1.00 0.00 O ATOM 1927 CB LEU A 119 118.982 15.424 -1.462 1.00 0.00 C ATOM 1928 CG LEU A 119 120.060 14.370 -1.165 1.00 0.00 C ATOM 1929 CD1 LEU A 119 121.226 14.536 -2.137 1.00 0.00 C ATOM 1930 CD2 LEU A 119 120.566 14.546 0.269 1.00 0.00 C ATOM 0 H LEU A 119 117.108 14.771 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 119 117.775 14.104 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 119 118.920 15.602 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 119 119.250 16.373 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 119 119.631 13.375 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 119 121.988 13.787 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 119 120.869 14.408 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 119 121.655 15.532 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 119 121.331 13.798 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 119 120.992 15.543 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 119 119.736 14.423 0.965 1.00 0.00 H new ATOM 1942 N VAL A 120 116.436 17.071 -0.829 1.00 0.00 N ATOM 1943 CA VAL A 120 115.818 18.196 -0.135 1.00 0.00 C ATOM 1944 C VAL A 120 114.664 17.729 0.746 1.00 0.00 C ATOM 1945 O VAL A 120 114.216 18.457 1.632 1.00 0.00 O ATOM 1946 CB VAL A 120 115.314 19.228 -1.145 1.00 0.00 C ATOM 1947 CG1 VAL A 120 114.593 20.358 -0.406 1.00 0.00 C ATOM 1948 CG2 VAL A 120 116.502 19.804 -1.921 1.00 0.00 C ATOM 0 H VAL A 120 116.441 17.141 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 120 116.574 18.655 0.502 1.00 0.00 H new ATOM 0 HB VAL A 120 114.623 18.749 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 120 114.234 21.093 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 120 113.747 19.949 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 120 115.283 20.837 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 120 116.144 20.540 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 120 117.193 20.282 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 120 117.016 19.000 -2.448 1.00 0.00 H new ATOM 1958 N SER A 121 114.196 16.508 0.513 1.00 0.00 N ATOM 1959 CA SER A 121 113.109 15.954 1.309 1.00 0.00 C ATOM 1960 C SER A 121 113.592 15.638 2.725 1.00 0.00 C ATOM 1961 O SER A 121 112.975 14.841 3.431 1.00 0.00 O ATOM 1962 CB SER A 121 112.566 14.682 0.649 1.00 0.00 C ATOM 1963 OG SER A 121 111.160 14.620 0.840 1.00 0.00 O ATOM 0 H SER A 121 114.550 15.887 -0.215 1.00 0.00 H new ATOM 0 HA SER A 121 112.311 16.694 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 121 112.801 14.682 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 121 113.043 13.802 1.081 1.00 0.00 H new ATOM 0 HG SER A 121 110.808 13.809 0.418 1.00 0.00 H new ATOM 1969 N ALA A 122 114.689 16.284 3.134 1.00 0.00 N ATOM 1970 CA ALA A 122 115.246 16.082 4.475 1.00 0.00 C ATOM 1971 C ALA A 122 116.743 16.381 4.506 1.00 0.00 C ATOM 1972 O ALA A 122 117.395 16.164 5.525 1.00 0.00 O ATOM 1973 CB ALA A 122 115.015 14.642 4.944 1.00 0.00 C ATOM 0 H ALA A 122 115.207 16.948 2.558 1.00 0.00 H new ATOM 0 HA ALA A 122 114.734 16.773 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 122 115.436 14.512 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 122 113.945 14.436 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 122 115.500 13.952 4.253 1.00 0.00 H new ATOM 1979 N HIS A 123 117.284 16.856 3.387 1.00 0.00 N ATOM 1980 CA HIS A 123 118.713 17.162 3.295 1.00 0.00 C ATOM 1981 C HIS A 123 119.232 17.848 4.560 1.00 0.00 C ATOM 1982 O HIS A 123 118.988 17.393 5.676 1.00 0.00 O ATOM 1983 CB HIS A 123 118.973 18.065 2.089 1.00 0.00 C ATOM 1984 CG HIS A 123 118.323 19.401 2.317 1.00 0.00 C ATOM 1985 ND1 HIS A 123 117.322 19.800 3.167 1.00 0.00 N flip ATOM 1986 CD2 HIS A 123 118.701 20.536 1.617 1.00 0.00 C flip ATOM 1987 CE1 HIS A 123 117.081 21.159 3.000 1.00 0.00 C flip ATOM 1988 NE2 HIS A 123 117.938 21.555 2.054 1.00 0.00 N flip ATOM 0 H HIS A 123 116.758 17.038 2.532 1.00 0.00 H new ATOM 0 HA HIS A 123 119.244 16.217 3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 123 120.045 18.191 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 123 118.576 17.605 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 123 119.468 20.592 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 123 116.356 21.765 3.523 1.00 0.00 H new ATOM 0 HE2 HIS A 123 118.005 22.511 1.706 1.00 0.00 H new ATOM 1996 N ASP A 124 119.965 18.942 4.371 1.00 0.00 N ATOM 1997 CA ASP A 124 120.532 19.686 5.495 1.00 0.00 C ATOM 1998 C ASP A 124 121.509 18.817 6.286 1.00 0.00 C ATOM 1999 O ASP A 124 122.427 19.329 6.927 1.00 0.00 O ATOM 2000 CB ASP A 124 119.420 20.178 6.424 1.00 0.00 C ATOM 2001 CG ASP A 124 120.017 21.023 7.544 1.00 0.00 C ATOM 2002 OD1 ASP A 124 121.102 21.548 7.350 1.00 0.00 O ATOM 2003 OD2 ASP A 124 119.384 21.132 8.581 1.00 0.00 O ATOM 0 H ASP A 124 120.180 19.333 3.454 1.00 0.00 H new ATOM 0 HA ASP A 124 121.071 20.543 5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 124 118.696 20.765 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 124 118.883 19.328 6.845 1.00 0.00 H new ATOM 2008 N ASP A 125 121.303 17.502 6.241 1.00 0.00 N ATOM 2009 CA ASP A 125 122.167 16.569 6.959 1.00 0.00 C ATOM 2010 C ASP A 125 123.619 17.040 6.930 1.00 0.00 C ATOM 2011 O ASP A 125 124.058 17.480 5.880 1.00 0.00 O ATOM 2012 CB ASP A 125 122.067 15.178 6.327 1.00 0.00 C ATOM 2013 CG ASP A 125 120.718 14.549 6.659 1.00 0.00 C ATOM 2014 OD1 ASP A 125 119.826 15.282 7.053 1.00 0.00 O ATOM 2015 OD2 ASP A 125 120.597 13.344 6.515 1.00 0.00 O ATOM 2016 OXT ASP A 125 124.271 16.953 7.958 1.00 0.00 O ATOM 0 H ASP A 125 120.548 17.060 5.717 1.00 0.00 H new ATOM 0 HA ASP A 125 121.837 16.525 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 125 122.187 15.251 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 125 122.873 14.544 6.695 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.219 3.720 12.626 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.094 2.852 13.819 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.128 4.658 12.281 1.00 0.00 O HETATM 2025 O5' C2E A 501 105.498 2.778 11.348 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.601 1.355 11.491 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.300 0.725 10.286 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.316 0.180 9.394 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.131 1.712 9.472 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.507 1.661 9.870 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.982 1.189 8.057 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.909 0.131 7.782 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.550 0.690 8.074 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.563 1.754 7.821 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.824 2.473 8.715 1.00 0.00 C HETATM 2036 N7 C2E A 501 103.077 3.396 8.193 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.335 3.285 6.830 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.811 4.031 5.742 1.00 0.00 C HETATM 2039 O6 C2E A 501 102.008 4.959 5.773 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.332 3.598 4.530 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.243 2.573 4.382 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.617 2.289 3.135 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.739 1.873 5.404 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.242 2.280 6.593 1.00 0.00 C HETATM 2045 P11 C2E A 501 108.986 2.243 11.295 1.00 0.00 P HETATM 2046 O21 C2E A 501 107.790 2.578 12.095 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.009 1.327 11.847 1.00 0.00 O HETATM 2048 O5A C2E A 501 109.713 3.619 10.887 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.952 4.736 10.422 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.443 5.593 11.582 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.813 6.964 11.376 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.927 5.577 11.801 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.587 4.564 12.758 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.680 6.952 12.392 1.00 0.00 C HETATM 2055 O2A C2E A 501 106.957 6.981 13.797 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.668 7.796 11.607 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.178 8.230 10.283 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.482 7.717 9.053 1.00 0.00 C HETATM 2059 N71 C2E A 501 106.894 8.297 8.052 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.126 9.284 8.657 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.257 10.242 8.070 1.00 0.00 C HETATM 2062 O61 C2E A 501 104.995 10.404 6.880 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.673 11.055 9.027 1.00 0.00 N HETATM 2064 C21 C2E A 501 104.893 10.960 10.389 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.244 11.839 11.154 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.710 10.057 10.947 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.291 9.255 10.026 1.00 0.00 C HETATM 0 HO2A C2E A 501 106.867 6.078 14.167 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.602 0.115 8.475 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.627 12.530 10.726 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.364 11.820 12.167 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.288 1.541 2.962 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.232 2.820 2.354 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.032 11.779 8.703 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.567 5.346 9.761 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.106 4.381 9.833 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 106.154 1.118 12.400 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 104.605 0.925 11.602 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.017 4.074 3.685 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.169 6.881 8.922 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.859 2.286 9.788 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.906 5.147 12.462 1.00 0.00 H new HETATM 0 H4' C2E A 501 106.967 -0.033 10.695 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.347 5.370 10.902 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.812 2.747 9.595 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.647 7.291 12.316 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.186 1.930 7.284 1.00 0.00 H new HETATM 0 H1A C2E A 501 107.865 8.698 12.186 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.431 -0.054 7.286 1.00 0.00 H new HETATM 2090 P1 C2E A 502 101.400 13.138 2.862 1.00 0.00 P HETATM 2091 O2P C2E A 502 100.067 13.769 2.735 1.00 0.00 O HETATM 2092 O1P C2E A 502 101.841 12.138 1.864 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.504 12.469 4.324 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.538 11.505 4.755 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.287 11.603 6.257 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.008 10.301 6.796 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.470 12.135 7.045 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.447 13.565 7.085 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.200 11.563 8.416 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.223 12.339 9.120 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.662 10.185 8.068 1.00 0.00 C HETATM 2102 N9 C2E A 502 101.702 9.145 7.954 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.332 8.649 6.845 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.193 7.703 7.083 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.131 7.548 8.463 1.00 0.00 C HETATM 2106 C6 C2E A 502 103.840 6.655 9.310 1.00 0.00 C HETATM 2107 O6 C2E A 502 104.680 5.813 8.999 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.479 6.822 10.640 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.553 7.735 11.101 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.340 7.749 12.418 1.00 0.00 N HETATM 2111 N3 C2E A 502 101.886 8.576 10.307 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.223 8.427 9.005 1.00 0.00 C HETATM 2113 P11 C2E A 502 102.626 14.379 7.819 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.078 15.672 8.283 1.00 0.00 O HETATM 2115 O11 C2E A 502 103.286 13.468 8.782 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.653 14.669 6.613 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.434 15.766 5.725 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.046 15.511 4.352 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.473 15.539 4.447 1.00 0.00 O HETATM 2120 C3A C2E A 502 103.676 14.165 3.741 1.00 0.00 C HETATM 2121 O3A C2E A 502 102.507 14.308 2.925 1.00 0.00 O HETATM 2122 C2A C2E A 502 104.879 13.849 2.867 1.00 0.00 C HETATM 2123 O2A C2E A 502 104.740 14.416 1.559 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.024 14.494 3.637 1.00 0.00 C HETATM 2125 N91 C2E A 502 106.735 13.571 4.529 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.746 13.516 5.894 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.550 12.628 6.398 1.00 0.00 N HETATM 2128 C51 C2E A 502 108.120 12.038 5.270 1.00 0.00 C HETATM 2129 C61 C2E A 502 109.083 10.999 5.173 1.00 0.00 C HETATM 2130 O61 C2E A 502 109.661 10.416 6.081 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.385 10.702 3.851 1.00 0.00 N HETATM 2132 C21 C2E A 502 108.834 11.328 2.754 1.00 0.00 C HETATM 2133 N21 C2E A 502 109.250 10.905 1.561 1.00 0.00 N HETATM 2134 N31 C2E A 502 107.931 12.308 2.841 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.623 12.608 4.125 1.00 0.00 C HETATM 0 HO2A C2E A 502 103.797 14.623 1.391 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.187 13.242 8.741 1.00 0.00 H new HETATM 0 HN24 C2E A 502 109.940 10.156 1.497 1.00 0.00 H new HETATM 0 HN23 C2E A 502 108.879 11.330 0.711 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.667 8.402 12.819 1.00 0.00 H new HETATM 0 HN21 C2E A 502 102.850 7.107 13.024 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.067 9.964 3.678 1.00 0.00 H new HETATM 0 H512 C2E A 502 102.363 15.941 5.619 1.00 0.00 H new HETATM 0 H511 C2E A 502 103.864 16.672 6.153 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.603 11.659 4.217 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 100.886 10.502 4.507 1.00 0.00 H new HETATM 0 HN1 C2E A 502 103.933 6.223 11.330 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.128 14.167 6.513 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.128 9.018 5.840 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.647 16.298 3.712 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.451 12.295 6.357 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.459 13.394 4.480 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.441 11.866 6.630 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.021 12.782 2.693 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.071 11.549 9.072 1.00 0.00 H new HETATM 0 H1A C2E A 502 106.743 14.850 2.900 1.00 0.00 H new HETATM 0 H1' C2E A 502 99.999 9.874 8.875 1.00 0.00 H new