USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=21 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 74 SER OG : rot -102:sc= 0.954 USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= 0.081 F(o=-2.3!,f=1) USER MOD Set 2.1: A 71 MET CE :methyl 139:sc= -1.34 (180deg=-0.0653) USER MOD Set 2.2: A 87 CYS SG : rot 80:sc= -1.99 USER MOD Set 3.1: A 1 MET N :NH3+ -159:sc= -0.855 (180deg=-0.165) USER MOD Set 3.2: A 4 GLN : amide:sc= -17.9! C(o=-19!,f=-23!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -2.71 F(o=-4.2!,f=-2.7) USER MOD Single : A 12 HIS : no HE2:sc= -7.83! C(o=-7.8!,f=-12!) USER MOD Single : A 20 SER OG : rot 11:sc= -0.363 USER MOD Single : A 24 GLN :FLIP amide:sc= -2.76! C(o=-3.3!,f=-2.8!) USER MOD Single : A 34 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.2!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 39 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0.036) USER MOD Single : A 45 GLN : amide:sc= -3.4! C(o=-3.4!,f=-5.2!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0154 F(o=-1.2!,f=-0.015) USER MOD Single : A 50 ASN : amide:sc= -2.19! X(o=-2.2!,f=-2.4) USER MOD Single : A 54 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 62 TYR OH : rot 165:sc= 0.144 USER MOD Single : A 89 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-8.5!) USER MOD Single : A 94 SER OG : rot 32:sc= -4.55! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.7) USER MOD Single : A 105 ASN : amide:sc= -1.22 X(o=-1.2,f=-1) USER MOD Single : A 121 SER OG : rot -88:sc= 1 USER MOD Single : A 123 HIS :FLIP no HD1:sc= -2.64! C(o=-4.2!,f=-2.6!) USER MOD Single : A 501 C2E O2' : rot -23:sc= 0.221 USER MOD Single : A 501 C2E O2A : rot -26:sc= 0.224 USER MOD Single : A 502 C2E O2' : rot 180:sc= -0.513 USER MOD Single : A 502 C2E O2A : rot -13:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 109.016 17.411 17.668 1.00 0.00 N ATOM 2 CA MET A 1 109.237 16.181 16.858 1.00 0.00 C ATOM 3 C MET A 1 107.908 15.467 16.649 1.00 0.00 C ATOM 4 O MET A 1 107.425 14.781 17.548 1.00 0.00 O ATOM 5 CB MET A 1 110.215 15.260 17.592 1.00 0.00 C ATOM 6 CG MET A 1 111.639 15.825 17.491 1.00 0.00 C ATOM 7 SD MET A 1 112.545 14.952 16.189 1.00 0.00 S ATOM 8 CE MET A 1 113.146 13.587 17.216 1.00 0.00 C ATOM 0 H1 MET A 1 109.806 18.071 17.520 1.00 0.00 H new ATOM 0 H2 MET A 1 108.127 17.864 17.375 1.00 0.00 H new ATOM 0 H3 MET A 1 108.960 17.158 18.675 1.00 0.00 H new ATOM 0 HA MET A 1 109.655 16.449 15.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 109.925 15.166 18.638 1.00 0.00 H new ATOM 0 HB3 MET A 1 110.180 14.260 17.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 111.603 16.892 17.271 1.00 0.00 H new ATOM 0 HG3 MET A 1 112.154 15.713 18.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 113.743 12.909 16.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 113.760 13.983 18.025 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.298 13.046 17.636 1.00 0.00 H new ATOM 18 N SER A 2 107.333 15.645 15.454 1.00 0.00 N ATOM 19 CA SER A 2 106.049 15.034 15.082 1.00 0.00 C ATOM 20 C SER A 2 105.036 16.115 14.726 1.00 0.00 C ATOM 21 O SER A 2 104.147 15.902 13.902 1.00 0.00 O ATOM 22 CB SER A 2 105.479 14.169 16.210 1.00 0.00 C ATOM 23 OG SER A 2 104.257 13.587 15.775 1.00 0.00 O ATOM 0 H SER A 2 107.744 16.217 14.716 1.00 0.00 H new ATOM 0 HA SER A 2 106.236 14.394 14.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 106.191 13.390 16.483 1.00 0.00 H new ATOM 0 HB3 SER A 2 105.312 14.774 17.101 1.00 0.00 H new ATOM 0 HG SER A 2 103.887 13.030 16.491 1.00 0.00 H new ATOM 29 N ASP A 3 105.184 17.282 15.347 1.00 0.00 N ATOM 30 CA ASP A 3 104.279 18.398 15.083 1.00 0.00 C ATOM 31 C ASP A 3 104.904 19.389 14.100 1.00 0.00 C ATOM 32 O ASP A 3 104.241 20.324 13.650 1.00 0.00 O ATOM 33 CB ASP A 3 103.927 19.115 16.387 1.00 0.00 C ATOM 34 CG ASP A 3 105.197 19.413 17.177 1.00 0.00 C ATOM 35 OD1 ASP A 3 105.807 18.472 17.658 1.00 0.00 O ATOM 36 OD2 ASP A 3 105.541 20.578 17.290 1.00 0.00 O ATOM 0 H ASP A 3 105.915 17.479 16.031 1.00 0.00 H new ATOM 0 HA ASP A 3 103.369 17.996 14.638 1.00 0.00 H new ATOM 0 HB2 ASP A 3 103.398 20.043 16.170 1.00 0.00 H new ATOM 0 HB3 ASP A 3 103.255 18.496 16.982 1.00 0.00 H new ATOM 41 N GLN A 4 106.180 19.182 13.773 1.00 0.00 N ATOM 42 CA GLN A 4 106.872 20.074 12.841 1.00 0.00 C ATOM 43 C GLN A 4 107.212 19.362 11.535 1.00 0.00 C ATOM 44 O GLN A 4 107.779 19.967 10.629 1.00 0.00 O ATOM 45 CB GLN A 4 108.152 20.622 13.480 1.00 0.00 C ATOM 46 CG GLN A 4 107.919 20.862 14.974 1.00 0.00 C ATOM 47 CD GLN A 4 108.001 19.545 15.741 1.00 0.00 C ATOM 48 OE1 GLN A 4 107.847 19.527 16.962 1.00 0.00 O ATOM 49 NE2 GLN A 4 108.237 18.434 15.095 1.00 0.00 N ATOM 0 H GLN A 4 106.749 18.416 14.133 1.00 0.00 H new ATOM 0 HA GLN A 4 106.198 20.900 12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 4 108.972 19.917 13.338 1.00 0.00 H new ATOM 0 HB3 GLN A 4 108.444 21.553 12.993 1.00 0.00 H new ATOM 0 HG2 GLN A 4 108.662 21.561 15.357 1.00 0.00 H new ATOM 0 HG3 GLN A 4 106.942 21.320 15.128 1.00 0.00 H new ATOM 0 HE21 GLN A 4 108.365 18.450 14.083 1.00 0.00 H new ATOM 0 HE22 GLN A 4 108.294 17.551 15.603 1.00 0.00 H new ATOM 58 N HIS A 5 106.855 18.078 11.454 1.00 0.00 N ATOM 59 CA HIS A 5 107.111 17.263 10.260 1.00 0.00 C ATOM 60 C HIS A 5 108.381 16.432 10.430 1.00 0.00 C ATOM 61 O HIS A 5 108.345 15.357 11.022 1.00 0.00 O ATOM 62 CB HIS A 5 107.214 18.127 8.995 1.00 0.00 C ATOM 63 CG HIS A 5 105.988 18.991 8.864 1.00 0.00 C ATOM 64 ND1 HIS A 5 104.939 19.245 9.717 1.00 0.00 N flip ATOM 65 CD2 HIS A 5 105.727 19.726 7.718 1.00 0.00 C flip ATOM 66 CE1 HIS A 5 104.045 20.121 9.110 1.00 0.00 C flip ATOM 67 NE2 HIS A 5 104.566 20.379 7.909 1.00 0.00 N flip ATOM 0 H HIS A 5 106.384 17.576 12.207 1.00 0.00 H new ATOM 0 HA HIS A 5 106.262 16.590 10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 5 108.106 18.751 9.042 1.00 0.00 H new ATOM 0 HB3 HIS A 5 107.316 17.490 8.116 1.00 0.00 H new ATOM 0 HD2 HIS A 5 106.344 19.767 6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 5 103.126 20.509 9.523 1.00 0.00 H new ATOM 0 HE2 HIS A 5 104.137 20.996 7.220 1.00 0.00 H new ATOM 75 N ASP A 6 109.499 16.921 9.907 1.00 0.00 N ATOM 76 CA ASP A 6 110.757 16.190 10.017 1.00 0.00 C ATOM 77 C ASP A 6 110.635 14.823 9.348 1.00 0.00 C ATOM 78 O ASP A 6 109.543 14.262 9.261 1.00 0.00 O ATOM 79 CB ASP A 6 111.130 16.013 11.489 1.00 0.00 C ATOM 80 CG ASP A 6 110.924 17.325 12.239 1.00 0.00 C ATOM 81 OD1 ASP A 6 111.549 18.304 11.863 1.00 0.00 O ATOM 82 OD2 ASP A 6 110.143 17.334 13.176 1.00 0.00 O ATOM 0 H ASP A 6 109.562 17.809 9.409 1.00 0.00 H new ATOM 0 HA ASP A 6 111.538 16.761 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 6 110.519 15.229 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 6 112.169 15.695 11.574 1.00 0.00 H new ATOM 87 N GLU A 7 111.760 14.295 8.868 1.00 0.00 N ATOM 88 CA GLU A 7 111.759 12.996 8.200 1.00 0.00 C ATOM 89 C GLU A 7 112.072 11.876 9.194 1.00 0.00 C ATOM 90 O GLU A 7 113.037 11.955 9.956 1.00 0.00 O ATOM 91 CB GLU A 7 112.772 13.013 7.051 1.00 0.00 C ATOM 92 CG GLU A 7 113.105 11.583 6.603 1.00 0.00 C ATOM 93 CD GLU A 7 113.451 11.567 5.116 1.00 0.00 C ATOM 94 OE1 GLU A 7 112.643 12.040 4.335 1.00 0.00 O ATOM 95 OE2 GLU A 7 114.523 11.088 4.782 1.00 0.00 O ATOM 0 H GLU A 7 112.675 14.742 8.928 1.00 0.00 H new ATOM 0 HA GLU A 7 110.767 12.803 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 7 112.368 13.578 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 7 113.682 13.522 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 7 113.943 11.197 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 7 112.256 10.927 6.794 1.00 0.00 H new ATOM 102 N ARG A 8 111.225 10.845 9.191 1.00 0.00 N ATOM 103 CA ARG A 8 111.375 9.712 10.105 1.00 0.00 C ATOM 104 C ARG A 8 111.406 8.374 9.352 1.00 0.00 C ATOM 105 O ARG A 8 111.778 7.349 9.926 1.00 0.00 O ATOM 106 CB ARG A 8 110.197 9.684 11.095 1.00 0.00 C ATOM 107 CG ARG A 8 110.427 10.678 12.248 1.00 0.00 C ATOM 108 CD ARG A 8 109.973 12.086 11.845 1.00 0.00 C ATOM 109 NE ARG A 8 108.619 12.063 11.294 1.00 0.00 N ATOM 110 CZ ARG A 8 107.692 12.937 11.685 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.951 13.791 12.637 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.519 12.934 11.120 1.00 0.00 N ATOM 0 H ARG A 8 110.425 10.772 8.563 1.00 0.00 H new ATOM 0 HA ARG A 8 112.321 9.841 10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 8 109.272 9.932 10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 8 110.077 8.677 11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.878 10.352 13.131 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.483 10.694 12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 8 110.005 12.744 12.713 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.662 12.497 11.108 1.00 0.00 H new ATOM 0 HE ARG A 8 108.378 11.361 10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.867 13.792 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 8 107.238 14.458 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 8 106.311 12.264 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.808 13.602 11.418 1.00 0.00 H new ATOM 126 N ARG A 9 111.017 8.380 8.072 1.00 0.00 N ATOM 127 CA ARG A 9 111.018 7.141 7.279 1.00 0.00 C ATOM 128 C ARG A 9 112.146 7.176 6.258 1.00 0.00 C ATOM 129 O ARG A 9 111.930 7.463 5.083 1.00 0.00 O ATOM 130 CB ARG A 9 109.665 6.908 6.566 1.00 0.00 C ATOM 131 CG ARG A 9 109.023 8.243 6.187 1.00 0.00 C ATOM 132 CD ARG A 9 107.553 8.044 5.798 1.00 0.00 C ATOM 133 NE ARG A 9 106.824 9.319 5.874 1.00 0.00 N ATOM 134 CZ ARG A 9 105.982 9.702 4.913 1.00 0.00 C ATOM 135 NH1 ARG A 9 105.775 8.942 3.873 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.358 10.843 5.018 1.00 0.00 N ATOM 0 H ARG A 9 110.703 9.210 7.569 1.00 0.00 H new ATOM 0 HA ARG A 9 111.174 6.311 7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.818 6.304 5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 9 108.995 6.348 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 9 109.092 8.937 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.567 8.691 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.489 7.641 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 9 107.091 7.314 6.462 1.00 0.00 H new ATOM 0 HE ARG A 9 106.966 9.926 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 9 106.259 8.048 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 9 105.130 9.242 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.515 11.437 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 9 104.713 11.141 4.286 1.00 0.00 H new ATOM 150 N ARG A 10 113.349 6.882 6.745 1.00 0.00 N ATOM 151 CA ARG A 10 114.566 6.869 5.920 1.00 0.00 C ATOM 152 C ARG A 10 114.397 7.682 4.632 1.00 0.00 C ATOM 153 O ARG A 10 114.951 8.774 4.506 1.00 0.00 O ATOM 154 CB ARG A 10 114.994 5.423 5.577 1.00 0.00 C ATOM 155 CG ARG A 10 114.164 4.395 6.365 1.00 0.00 C ATOM 156 CD ARG A 10 112.917 4.011 5.564 1.00 0.00 C ATOM 157 NE ARG A 10 111.980 3.282 6.410 1.00 0.00 N ATOM 158 CZ ARG A 10 112.154 1.992 6.667 1.00 0.00 C ATOM 159 NH1 ARG A 10 113.172 1.356 6.154 1.00 0.00 N ATOM 160 NH2 ARG A 10 111.309 1.359 7.432 1.00 0.00 N ATOM 0 H ARG A 10 113.513 6.645 7.723 1.00 0.00 H new ATOM 0 HA ARG A 10 115.350 7.338 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 10 114.873 5.249 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.052 5.291 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.764 3.508 6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.874 4.811 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.440 4.908 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 10 113.200 3.397 4.709 1.00 0.00 H new ATOM 0 HE ARG A 10 111.179 3.771 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.834 1.851 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.306 0.364 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.514 1.855 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 10 111.443 0.367 7.629 1.00 0.00 H new ATOM 174 N PHE A 11 113.639 7.147 3.676 1.00 0.00 N ATOM 175 CA PHE A 11 113.422 7.840 2.407 1.00 0.00 C ATOM 176 C PHE A 11 112.010 7.567 1.885 1.00 0.00 C ATOM 177 O PHE A 11 111.311 6.691 2.392 1.00 0.00 O ATOM 178 CB PHE A 11 114.466 7.374 1.380 1.00 0.00 C ATOM 179 CG PHE A 11 115.467 8.480 1.119 1.00 0.00 C ATOM 180 CD1 PHE A 11 116.560 8.660 1.977 1.00 0.00 C ATOM 181 CD2 PHE A 11 115.299 9.325 0.015 1.00 0.00 C ATOM 182 CE1 PHE A 11 117.484 9.685 1.728 1.00 0.00 C ATOM 183 CE2 PHE A 11 116.223 10.348 -0.232 1.00 0.00 C ATOM 184 CZ PHE A 11 117.315 10.528 0.624 1.00 0.00 C ATOM 0 H PHE A 11 113.169 6.245 3.754 1.00 0.00 H new ATOM 0 HA PHE A 11 113.529 8.913 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.980 6.487 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 11 113.972 7.092 0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 11 116.691 8.010 2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 11 114.456 9.188 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 11 118.327 9.824 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 11 116.093 10.999 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 11 118.027 11.317 0.433 1.00 0.00 H new ATOM 194 N HIS A 12 111.599 8.326 0.871 1.00 0.00 N ATOM 195 CA HIS A 12 110.266 8.160 0.292 1.00 0.00 C ATOM 196 C HIS A 12 110.000 6.690 -0.028 1.00 0.00 C ATOM 197 O HIS A 12 110.913 5.864 0.003 1.00 0.00 O ATOM 198 CB HIS A 12 110.125 9.003 -0.990 1.00 0.00 C ATOM 199 CG HIS A 12 111.378 9.804 -1.221 1.00 0.00 C ATOM 200 ND1 HIS A 12 111.836 10.739 -0.308 1.00 0.00 N ATOM 201 CD2 HIS A 12 112.274 9.825 -2.261 1.00 0.00 C ATOM 202 CE1 HIS A 12 112.960 11.279 -0.809 1.00 0.00 C ATOM 203 NE2 HIS A 12 113.273 10.757 -1.998 1.00 0.00 N ATOM 0 H HIS A 12 112.163 9.056 0.436 1.00 0.00 H new ATOM 0 HA HIS A 12 109.534 8.502 1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 12 109.937 8.352 -1.844 1.00 0.00 H new ATOM 0 HB3 HIS A 12 109.268 9.671 -0.903 1.00 0.00 H new ATOM 0 HD1 HIS A 12 111.399 10.975 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 12 112.213 9.212 -3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 12 113.540 12.042 -0.311 1.00 0.00 H new ATOM 211 N ARG A 13 108.743 6.374 -0.335 1.00 0.00 N ATOM 212 CA ARG A 13 108.358 5.001 -0.661 1.00 0.00 C ATOM 213 C ARG A 13 107.802 4.928 -2.079 1.00 0.00 C ATOM 214 O ARG A 13 107.463 5.949 -2.676 1.00 0.00 O ATOM 215 CB ARG A 13 107.289 4.503 0.321 1.00 0.00 C ATOM 216 CG ARG A 13 107.706 4.815 1.769 1.00 0.00 C ATOM 217 CD ARG A 13 106.491 5.319 2.555 1.00 0.00 C ATOM 218 NE ARG A 13 105.948 6.517 1.923 1.00 0.00 N ATOM 219 CZ ARG A 13 104.685 6.879 2.105 1.00 0.00 C ATOM 220 NH1 ARG A 13 103.907 6.163 2.867 1.00 0.00 N ATOM 221 NH2 ARG A 13 104.220 7.951 1.525 1.00 0.00 N ATOM 0 H ARG A 13 107.977 7.046 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 13 109.245 4.372 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 13 106.333 4.978 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 13 107.146 3.429 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 13 108.113 3.921 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 13 108.495 5.567 1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.727 4.542 2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.779 5.539 3.583 1.00 0.00 H new ATOM 0 HE ARG A 13 106.551 7.087 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.270 5.325 3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 13 102.936 6.440 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 13 104.828 8.513 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 13 103.248 8.227 1.667 1.00 0.00 H new ATOM 235 N ILE A 14 107.700 3.713 -2.610 1.00 0.00 N ATOM 236 CA ILE A 14 107.170 3.527 -3.953 1.00 0.00 C ATOM 237 C ILE A 14 105.716 3.972 -3.995 1.00 0.00 C ATOM 238 O ILE A 14 104.809 3.189 -3.713 1.00 0.00 O ATOM 239 CB ILE A 14 107.276 2.055 -4.361 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.625 1.493 -3.899 1.00 0.00 C ATOM 241 CG2 ILE A 14 107.166 1.932 -5.886 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.756 2.427 -4.342 1.00 0.00 C ATOM 0 H ILE A 14 107.974 2.853 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 14 107.751 4.129 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 14 106.467 1.492 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.633 1.387 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.777 0.498 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 14 107.242 0.883 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 14 106.206 2.330 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.972 2.496 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.713 2.023 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.754 2.511 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.607 3.413 -3.902 1.00 0.00 H new ATOM 254 N ALA A 15 105.497 5.241 -4.330 1.00 0.00 N ATOM 255 CA ALA A 15 104.143 5.777 -4.378 1.00 0.00 C ATOM 256 C ALA A 15 103.559 5.724 -5.781 1.00 0.00 C ATOM 257 O ALA A 15 104.074 6.338 -6.715 1.00 0.00 O ATOM 258 CB ALA A 15 104.139 7.226 -3.888 1.00 0.00 C ATOM 0 H ALA A 15 106.230 5.908 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 15 103.525 5.157 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.124 7.620 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.504 7.264 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.786 7.828 -4.526 1.00 0.00 H new ATOM 264 N PHE A 16 102.443 5.018 -5.894 1.00 0.00 N ATOM 265 CA PHE A 16 101.723 4.905 -7.151 1.00 0.00 C ATOM 266 C PHE A 16 100.244 4.745 -6.845 1.00 0.00 C ATOM 267 O PHE A 16 99.881 4.337 -5.742 1.00 0.00 O ATOM 268 CB PHE A 16 102.238 3.723 -7.979 1.00 0.00 C ATOM 269 CG PHE A 16 102.080 2.422 -7.222 1.00 0.00 C ATOM 270 CD1 PHE A 16 100.822 1.815 -7.115 1.00 0.00 C ATOM 271 CD2 PHE A 16 103.203 1.806 -6.654 1.00 0.00 C ATOM 272 CE1 PHE A 16 100.689 0.595 -6.440 1.00 0.00 C ATOM 273 CE2 PHE A 16 103.068 0.591 -5.979 1.00 0.00 C ATOM 274 CZ PHE A 16 101.813 -0.017 -5.874 1.00 0.00 C ATOM 0 H PHE A 16 102.014 4.510 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 16 101.883 5.805 -7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.692 3.669 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.288 3.878 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 16 99.955 2.288 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 16 104.174 2.271 -6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 16 99.719 0.127 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 16 103.934 0.120 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 16 101.711 -0.959 -5.356 1.00 0.00 H new ATOM 284 N ASP A 17 99.383 5.065 -7.800 1.00 0.00 N ATOM 285 CA ASP A 17 97.948 4.943 -7.568 1.00 0.00 C ATOM 286 C ASP A 17 97.439 3.606 -8.093 1.00 0.00 C ATOM 287 O ASP A 17 97.935 3.092 -9.095 1.00 0.00 O ATOM 288 CB ASP A 17 97.206 6.083 -8.270 1.00 0.00 C ATOM 289 CG ASP A 17 97.935 7.402 -8.042 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.287 7.673 -6.905 1.00 0.00 O ATOM 291 OD2 ASP A 17 98.129 8.123 -9.006 1.00 0.00 O ATOM 0 H ASP A 17 99.644 5.405 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 17 97.764 4.998 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.135 5.878 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.187 6.152 -7.890 1.00 0.00 H new ATOM 296 N ALA A 18 96.444 3.051 -7.412 1.00 0.00 N ATOM 297 CA ALA A 18 95.870 1.776 -7.819 1.00 0.00 C ATOM 298 C ALA A 18 94.753 1.377 -6.864 1.00 0.00 C ATOM 299 O ALA A 18 94.487 2.068 -5.881 1.00 0.00 O ATOM 300 CB ALA A 18 96.946 0.689 -7.849 1.00 0.00 C ATOM 0 H ALA A 18 96.020 3.462 -6.580 1.00 0.00 H new ATOM 0 HA ALA A 18 95.458 1.886 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.499 -0.257 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.726 0.968 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.381 0.580 -6.855 1.00 0.00 H new ATOM 306 N ASP A 19 94.098 0.262 -7.160 1.00 0.00 N ATOM 307 CA ASP A 19 93.003 -0.211 -6.316 1.00 0.00 C ATOM 308 C ASP A 19 93.489 -1.253 -5.322 1.00 0.00 C ATOM 309 O ASP A 19 94.197 -2.191 -5.687 1.00 0.00 O ATOM 310 CB ASP A 19 91.896 -0.814 -7.187 1.00 0.00 C ATOM 311 CG ASP A 19 90.965 -1.680 -6.340 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.134 -1.120 -5.647 1.00 0.00 O ATOM 313 OD2 ASP A 19 91.101 -2.892 -6.399 1.00 0.00 O ATOM 0 H ASP A 19 94.301 -0.327 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 19 92.612 0.641 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.327 -0.017 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.337 -1.414 -7.983 1.00 0.00 H new ATOM 318 N SER A 20 93.078 -1.100 -4.067 1.00 0.00 N ATOM 319 CA SER A 20 93.448 -2.054 -3.033 1.00 0.00 C ATOM 320 C SER A 20 92.218 -2.441 -2.218 1.00 0.00 C ATOM 321 O SER A 20 91.288 -1.654 -2.059 1.00 0.00 O ATOM 322 CB SER A 20 94.519 -1.464 -2.118 1.00 0.00 C ATOM 323 OG SER A 20 94.140 -0.147 -1.743 1.00 0.00 O ATOM 0 H SER A 20 92.493 -0.329 -3.745 1.00 0.00 H new ATOM 0 HA SER A 20 93.854 -2.945 -3.511 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.640 -2.087 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.482 -1.447 -2.629 1.00 0.00 H new ATOM 0 HG SER A 20 93.209 0.013 -2.005 1.00 0.00 H new ATOM 329 N GLU A 21 92.236 -3.661 -1.703 1.00 0.00 N ATOM 330 CA GLU A 21 91.135 -4.172 -0.892 1.00 0.00 C ATOM 331 C GLU A 21 91.706 -4.808 0.358 1.00 0.00 C ATOM 332 O GLU A 21 92.722 -5.498 0.298 1.00 0.00 O ATOM 333 CB GLU A 21 90.327 -5.214 -1.674 1.00 0.00 C ATOM 334 CG GLU A 21 90.042 -4.708 -3.093 1.00 0.00 C ATOM 335 CD GLU A 21 88.957 -3.639 -3.066 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.808 -3.993 -2.863 1.00 0.00 O ATOM 337 OE2 GLU A 21 89.290 -2.480 -3.249 1.00 0.00 O ATOM 0 H GLU A 21 93.004 -4.320 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 21 90.471 -3.349 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 21 90.878 -6.153 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.389 -5.419 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.953 -4.300 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 21 89.728 -5.538 -3.726 1.00 0.00 H new ATOM 344 N ILE A 22 91.068 -4.565 1.494 1.00 0.00 N ATOM 345 CA ILE A 22 91.563 -5.123 2.748 1.00 0.00 C ATOM 346 C ILE A 22 90.528 -6.038 3.383 1.00 0.00 C ATOM 347 O ILE A 22 89.345 -5.728 3.426 1.00 0.00 O ATOM 348 CB ILE A 22 91.940 -3.981 3.691 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.133 -3.227 3.092 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.320 -4.535 5.068 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.604 -2.135 4.054 1.00 0.00 C ATOM 0 H ILE A 22 90.224 -3.998 1.576 1.00 0.00 H new ATOM 0 HA ILE A 22 92.448 -5.727 2.547 1.00 0.00 H new ATOM 0 HB ILE A 22 91.090 -3.308 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.948 -3.922 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.850 -2.784 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.587 -3.712 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.474 -5.079 5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.171 -5.209 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.452 -1.607 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.791 -1.432 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.906 -2.588 4.998 1.00 0.00 H new ATOM 363 N LEU A 23 91.000 -7.182 3.864 1.00 0.00 N ATOM 364 CA LEU A 23 90.134 -8.174 4.486 1.00 0.00 C ATOM 365 C LEU A 23 90.599 -8.500 5.892 1.00 0.00 C ATOM 366 O LEU A 23 91.734 -8.928 6.107 1.00 0.00 O ATOM 367 CB LEU A 23 90.142 -9.460 3.647 1.00 0.00 C ATOM 368 CG LEU A 23 90.404 -9.105 2.179 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.915 -9.036 1.923 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.783 -10.169 1.265 1.00 0.00 C ATOM 0 H LEU A 23 91.985 -7.446 3.834 1.00 0.00 H new ATOM 0 HA LEU A 23 89.126 -7.761 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.911 -10.141 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.187 -9.977 3.743 1.00 0.00 H new ATOM 0 HG LEU A 23 89.953 -8.136 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.096 -8.783 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.358 -8.273 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.366 -10.003 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.973 -9.910 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.226 -11.140 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.708 -10.214 1.437 1.00 0.00 H new ATOM 382 N GLN A 24 89.701 -8.314 6.841 1.00 0.00 N ATOM 383 CA GLN A 24 90.005 -8.610 8.238 1.00 0.00 C ATOM 384 C GLN A 24 88.919 -9.505 8.821 1.00 0.00 C ATOM 385 O GLN A 24 87.827 -9.035 9.143 1.00 0.00 O ATOM 386 CB GLN A 24 90.083 -7.307 9.040 1.00 0.00 C ATOM 387 CG GLN A 24 90.525 -7.597 10.486 1.00 0.00 C ATOM 388 CD GLN A 24 89.338 -7.482 11.440 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.506 -6.938 12.615 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 88.229 -7.899 11.108 1.00 0.00 N flip ATOM 0 H GLN A 24 88.758 -7.961 6.677 1.00 0.00 H new ATOM 0 HA GLN A 24 90.965 -9.124 8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.787 -6.622 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.111 -6.814 9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 24 90.954 -8.597 10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.306 -6.897 10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.098 -8.324 10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 24 87.441 -7.820 11.751 1.00 0.00 H new ATOM 399 N GLY A 25 89.206 -10.799 8.929 1.00 0.00 N ATOM 400 CA GLY A 25 88.224 -11.740 9.447 1.00 0.00 C ATOM 401 C GLY A 25 87.240 -12.128 8.349 1.00 0.00 C ATOM 402 O GLY A 25 87.637 -12.566 7.269 1.00 0.00 O ATOM 0 H GLY A 25 90.100 -11.214 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.726 -12.630 9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.688 -11.294 10.285 1.00 0.00 H new ATOM 406 N GLU A 26 85.956 -11.952 8.630 1.00 0.00 N ATOM 407 CA GLU A 26 84.909 -12.270 7.665 1.00 0.00 C ATOM 408 C GLU A 26 84.410 -10.995 6.996 1.00 0.00 C ATOM 409 O GLU A 26 83.370 -10.993 6.337 1.00 0.00 O ATOM 410 CB GLU A 26 83.744 -12.953 8.384 1.00 0.00 C ATOM 411 CG GLU A 26 83.005 -11.932 9.254 1.00 0.00 C ATOM 412 CD GLU A 26 82.141 -12.651 10.284 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.013 -12.977 9.956 1.00 0.00 O ATOM 414 OE2 GLU A 26 82.619 -12.862 11.386 1.00 0.00 O ATOM 0 H GLU A 26 85.613 -11.590 9.520 1.00 0.00 H new ATOM 0 HA GLU A 26 85.316 -12.937 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.059 -13.388 7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.115 -13.771 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.723 -11.285 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.383 -11.292 8.629 1.00 0.00 H new ATOM 421 N ARG A 27 85.140 -9.902 7.204 1.00 0.00 N ATOM 422 CA ARG A 27 84.750 -8.611 6.654 1.00 0.00 C ATOM 423 C ARG A 27 85.724 -8.105 5.597 1.00 0.00 C ATOM 424 O ARG A 27 86.940 -8.146 5.784 1.00 0.00 O ATOM 425 CB ARG A 27 84.698 -7.600 7.789 1.00 0.00 C ATOM 426 CG ARG A 27 83.478 -7.886 8.671 1.00 0.00 C ATOM 427 CD ARG A 27 83.697 -7.273 10.051 1.00 0.00 C ATOM 428 NE ARG A 27 82.421 -6.899 10.651 1.00 0.00 N ATOM 429 CZ ARG A 27 81.593 -7.819 11.137 1.00 0.00 C ATOM 430 NH1 ARG A 27 81.916 -9.082 11.083 1.00 0.00 N ATOM 431 NH2 ARG A 27 80.458 -7.458 11.669 1.00 0.00 N ATOM 0 H ARG A 27 86.002 -9.887 7.748 1.00 0.00 H new ATOM 0 HA ARG A 27 83.779 -8.734 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.611 -7.656 8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.641 -6.588 7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.580 -7.470 8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.323 -8.961 8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.213 -7.985 10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.338 -6.395 9.968 1.00 0.00 H new ATOM 0 HE ARG A 27 82.159 -5.914 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 27 82.804 -9.364 10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 27 81.281 -9.787 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.206 -6.471 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 27 79.822 -8.163 12.042 1.00 0.00 H new ATOM 445 N ARG A 28 85.176 -7.616 4.491 1.00 0.00 N ATOM 446 CA ARG A 28 85.991 -7.083 3.401 1.00 0.00 C ATOM 447 C ARG A 28 85.516 -5.694 3.014 1.00 0.00 C ATOM 448 O ARG A 28 84.336 -5.366 3.140 1.00 0.00 O ATOM 449 CB ARG A 28 85.915 -8.007 2.179 1.00 0.00 C ATOM 450 CG ARG A 28 86.750 -7.418 1.036 1.00 0.00 C ATOM 451 CD ARG A 28 86.777 -8.397 -0.140 1.00 0.00 C ATOM 452 NE ARG A 28 87.461 -7.802 -1.284 1.00 0.00 N ATOM 453 CZ ARG A 28 86.889 -6.845 -2.005 1.00 0.00 C ATOM 454 NH1 ARG A 28 85.709 -6.394 -1.676 1.00 0.00 N ATOM 455 NH2 ARG A 28 87.512 -6.351 -3.040 1.00 0.00 N ATOM 0 H ARG A 28 84.171 -7.577 4.323 1.00 0.00 H new ATOM 0 HA ARG A 28 87.024 -7.025 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.283 -9.000 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.878 -8.124 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.328 -6.464 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.765 -7.219 1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 28 87.283 -9.316 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.759 -8.669 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 28 88.395 -8.127 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.225 -6.777 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 28 85.271 -5.659 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 28 88.436 -6.700 -3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 28 87.075 -5.616 -3.595 1.00 0.00 H new ATOM 469 N TRP A 29 86.454 -4.881 2.555 1.00 0.00 N ATOM 470 CA TRP A 29 86.153 -3.518 2.158 1.00 0.00 C ATOM 471 C TRP A 29 87.038 -3.094 0.996 1.00 0.00 C ATOM 472 O TRP A 29 88.128 -3.633 0.801 1.00 0.00 O ATOM 473 CB TRP A 29 86.411 -2.577 3.327 1.00 0.00 C ATOM 474 CG TRP A 29 85.578 -2.957 4.502 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.243 -2.785 4.607 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.016 -3.556 5.749 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.831 -3.242 5.848 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.894 -3.727 6.589 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.273 -3.963 6.225 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.015 -4.284 7.863 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.403 -4.524 7.502 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.275 -4.685 8.323 1.00 0.00 C ATOM 0 H TRP A 29 87.434 -5.144 2.448 1.00 0.00 H new ATOM 0 HA TRP A 29 85.107 -3.472 1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.466 -2.607 3.598 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.186 -1.552 3.032 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.602 -2.361 3.848 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.865 -3.223 6.175 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.147 -3.843 5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.143 -4.405 8.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.375 -4.834 7.857 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.379 -5.117 9.307 1.00 0.00 H new ATOM 493 N GLU A 30 86.568 -2.114 0.235 1.00 0.00 N ATOM 494 CA GLU A 30 87.324 -1.609 -0.897 1.00 0.00 C ATOM 495 C GLU A 30 88.015 -0.308 -0.511 1.00 0.00 C ATOM 496 O GLU A 30 87.427 0.526 0.176 1.00 0.00 O ATOM 497 CB GLU A 30 86.387 -1.359 -2.084 1.00 0.00 C ATOM 498 CG GLU A 30 85.276 -2.414 -2.092 1.00 0.00 C ATOM 499 CD GLU A 30 84.232 -2.088 -1.028 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.208 -0.956 -0.575 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.470 -2.976 -0.684 1.00 0.00 O ATOM 0 H GLU A 30 85.669 -1.656 0.383 1.00 0.00 H new ATOM 0 HA GLU A 30 88.073 -2.348 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.954 -0.361 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.948 -1.399 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.806 -2.450 -3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.700 -3.401 -1.906 1.00 0.00 H new ATOM 508 N VAL A 31 89.258 -0.131 -0.935 1.00 0.00 N ATOM 509 CA VAL A 31 89.992 1.081 -0.598 1.00 0.00 C ATOM 510 C VAL A 31 90.948 1.468 -1.718 1.00 0.00 C ATOM 511 O VAL A 31 91.385 0.628 -2.504 1.00 0.00 O ATOM 512 CB VAL A 31 90.786 0.859 0.692 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.829 0.834 1.882 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.529 -0.476 0.610 1.00 0.00 C ATOM 0 H VAL A 31 89.774 -0.801 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 31 89.274 1.889 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 31 91.504 1.669 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.394 0.676 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.298 1.784 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.111 0.024 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.095 -0.635 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.810 -1.285 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.212 -0.460 -0.239 1.00 0.00 H new ATOM 524 N LEU A 32 91.289 2.750 -1.760 1.00 0.00 N ATOM 525 CA LEU A 32 92.217 3.263 -2.755 1.00 0.00 C ATOM 526 C LEU A 32 93.599 3.330 -2.123 1.00 0.00 C ATOM 527 O LEU A 32 93.758 3.873 -1.029 1.00 0.00 O ATOM 528 CB LEU A 32 91.768 4.663 -3.205 1.00 0.00 C ATOM 529 CG LEU A 32 92.857 5.339 -4.054 1.00 0.00 C ATOM 530 CD1 LEU A 32 92.788 4.822 -5.491 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.631 6.854 -4.059 1.00 0.00 C ATOM 0 H LEU A 32 90.934 3.454 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 32 92.240 2.612 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 32 90.846 4.586 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.548 5.277 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 32 93.835 5.110 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 32 93.562 5.304 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.944 3.743 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 32 91.809 5.050 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.402 7.335 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.651 7.074 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.679 7.232 -3.038 1.00 0.00 H new ATOM 543 N LEU A 33 94.597 2.782 -2.800 1.00 0.00 N ATOM 544 CA LEU A 33 95.949 2.802 -2.260 1.00 0.00 C ATOM 545 C LEU A 33 96.692 4.029 -2.760 1.00 0.00 C ATOM 546 O LEU A 33 96.789 4.271 -3.964 1.00 0.00 O ATOM 547 CB LEU A 33 96.701 1.526 -2.665 1.00 0.00 C ATOM 548 CG LEU A 33 98.191 1.622 -2.269 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.507 0.596 -1.177 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.068 1.333 -3.493 1.00 0.00 C ATOM 0 H LEU A 33 94.501 2.326 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 33 95.892 2.844 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.246 0.661 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.615 1.373 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 33 98.394 2.626 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.559 0.669 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 33 97.889 0.795 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.298 -0.407 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.119 1.401 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.856 0.330 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.854 2.062 -4.275 1.00 0.00 H new ATOM 562 N HIS A 34 97.192 4.813 -1.816 1.00 0.00 N ATOM 563 CA HIS A 34 97.906 6.037 -2.149 1.00 0.00 C ATOM 564 C HIS A 34 99.406 5.785 -2.306 1.00 0.00 C ATOM 565 O HIS A 34 100.056 6.445 -3.117 1.00 0.00 O ATOM 566 CB HIS A 34 97.629 7.082 -1.077 1.00 0.00 C ATOM 567 CG HIS A 34 96.236 7.621 -1.261 1.00 0.00 C ATOM 568 ND1 HIS A 34 95.968 8.728 -2.050 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.022 7.207 -0.769 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.639 8.940 -2.013 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.016 8.042 -1.246 1.00 0.00 N ATOM 0 H HIS A 34 97.117 4.624 -0.816 1.00 0.00 H new ATOM 0 HA HIS A 34 97.549 6.407 -3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.733 6.640 -0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.357 7.891 -1.144 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.871 6.363 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.138 9.739 -2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.017 7.981 -1.051 1.00 0.00 H new ATOM 579 N ASP A 35 99.952 4.812 -1.591 1.00 0.00 N ATOM 580 CA ASP A 35 101.374 4.502 -1.760 1.00 0.00 C ATOM 581 C ASP A 35 101.737 3.212 -1.039 1.00 0.00 C ATOM 582 O ASP A 35 101.008 2.752 -0.159 1.00 0.00 O ATOM 583 CB ASP A 35 102.259 5.661 -1.283 1.00 0.00 C ATOM 584 CG ASP A 35 102.218 5.758 0.238 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.515 4.767 0.884 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.897 6.825 0.734 1.00 0.00 O ATOM 0 H ASP A 35 99.457 4.238 -0.909 1.00 0.00 H new ATOM 0 HA ASP A 35 101.558 4.361 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.285 5.508 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.916 6.597 -1.724 1.00 0.00 H new ATOM 591 N VAL A 36 102.861 2.621 -1.436 1.00 0.00 N ATOM 592 CA VAL A 36 103.305 1.367 -0.842 1.00 0.00 C ATOM 593 C VAL A 36 104.824 1.316 -0.743 1.00 0.00 C ATOM 594 O VAL A 36 105.531 2.142 -1.320 1.00 0.00 O ATOM 595 CB VAL A 36 102.796 0.185 -1.681 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.688 -0.003 -2.910 1.00 0.00 C ATOM 597 CG2 VAL A 36 102.819 -1.101 -0.847 1.00 0.00 C ATOM 0 H VAL A 36 103.476 2.989 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 36 102.895 1.301 0.166 1.00 0.00 H new ATOM 0 HB VAL A 36 101.774 0.397 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.322 -0.843 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.668 0.903 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.711 -0.203 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.456 -1.933 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 36 103.839 -1.306 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.178 -0.980 0.026 1.00 0.00 H new ATOM 607 N SER A 37 105.311 0.319 -0.016 1.00 0.00 N ATOM 608 CA SER A 37 106.738 0.113 0.165 1.00 0.00 C ATOM 609 C SER A 37 107.019 -1.382 0.124 1.00 0.00 C ATOM 610 O SER A 37 106.092 -2.190 0.168 1.00 0.00 O ATOM 611 CB SER A 37 107.191 0.684 1.507 1.00 0.00 C ATOM 612 OG SER A 37 108.611 0.696 1.556 1.00 0.00 O ATOM 0 H SER A 37 104.728 -0.367 0.463 1.00 0.00 H new ATOM 0 HA SER A 37 107.284 0.622 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.803 1.694 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.792 0.083 2.324 1.00 0.00 H new ATOM 0 HG SER A 37 108.906 1.064 2.415 1.00 0.00 H new ATOM 618 N LEU A 38 108.285 -1.756 0.034 1.00 0.00 N ATOM 619 CA LEU A 38 108.622 -3.171 -0.019 1.00 0.00 C ATOM 620 C LEU A 38 108.289 -3.856 1.308 1.00 0.00 C ATOM 621 O LEU A 38 108.465 -5.066 1.449 1.00 0.00 O ATOM 622 CB LEU A 38 110.106 -3.366 -0.366 1.00 0.00 C ATOM 623 CG LEU A 38 110.925 -2.171 0.132 1.00 0.00 C ATOM 624 CD1 LEU A 38 110.732 -2.007 1.640 1.00 0.00 C ATOM 625 CD2 LEU A 38 112.404 -2.421 -0.160 1.00 0.00 C ATOM 0 H LEU A 38 109.080 -1.118 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 38 108.023 -3.632 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.476 -4.285 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.224 -3.474 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 38 110.593 -1.266 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.316 -1.156 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.677 -1.837 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 38 111.065 -2.911 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.993 -1.574 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.728 -3.326 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 38 112.548 -2.541 -1.234 1.00 0.00 H new ATOM 637 N HIS A 39 107.804 -3.082 2.281 1.00 0.00 N ATOM 638 CA HIS A 39 107.455 -3.650 3.583 1.00 0.00 C ATOM 639 C HIS A 39 106.466 -2.750 4.333 1.00 0.00 C ATOM 640 O HIS A 39 106.526 -2.636 5.558 1.00 0.00 O ATOM 641 CB HIS A 39 108.732 -3.843 4.421 1.00 0.00 C ATOM 642 CG HIS A 39 108.775 -5.242 4.979 1.00 0.00 C ATOM 643 ND1 HIS A 39 109.879 -6.066 4.826 1.00 0.00 N ATOM 644 CD2 HIS A 39 107.856 -5.974 5.686 1.00 0.00 C ATOM 645 CE1 HIS A 39 109.600 -7.236 5.429 1.00 0.00 C ATOM 646 NE2 HIS A 39 108.379 -7.234 5.970 1.00 0.00 N ATOM 0 H HIS A 39 107.646 -2.078 2.195 1.00 0.00 H new ATOM 0 HA HIS A 39 106.975 -4.615 3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.612 -3.661 3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.757 -3.117 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 39 106.876 -5.627 5.978 1.00 0.00 H new ATOM 0 HE1 HIS A 39 110.280 -8.074 5.470 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.927 -7.992 6.481 1.00 0.00 H new ATOM 654 N GLY A 40 105.552 -2.120 3.597 1.00 0.00 N ATOM 655 CA GLY A 40 104.559 -1.244 4.218 1.00 0.00 C ATOM 656 C GLY A 40 103.546 -0.751 3.188 1.00 0.00 C ATOM 657 O GLY A 40 103.824 -0.747 1.992 1.00 0.00 O ATOM 0 H GLY A 40 105.478 -2.198 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.042 -1.780 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.058 -0.392 4.680 1.00 0.00 H new ATOM 661 N ILE A 41 102.360 -0.350 3.653 1.00 0.00 N ATOM 662 CA ILE A 41 101.317 0.124 2.741 1.00 0.00 C ATOM 663 C ILE A 41 100.468 1.227 3.378 1.00 0.00 C ATOM 664 O ILE A 41 100.234 1.241 4.585 1.00 0.00 O ATOM 665 CB ILE A 41 100.419 -1.058 2.311 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.933 -0.689 2.449 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.721 -2.275 3.182 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.071 -1.790 1.836 1.00 0.00 C ATOM 0 H ILE A 41 102.101 -0.344 4.639 1.00 0.00 H new ATOM 0 HA ILE A 41 101.805 0.548 1.864 1.00 0.00 H new ATOM 0 HB ILE A 41 100.628 -1.289 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.677 -0.556 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.736 0.260 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.087 -3.107 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.768 -2.555 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.524 -2.033 4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.018 -1.526 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.319 -1.901 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.259 -2.730 2.354 1.00 0.00 H new ATOM 680 N LEU A 42 99.995 2.137 2.524 1.00 0.00 N ATOM 681 CA LEU A 42 99.144 3.247 2.950 1.00 0.00 C ATOM 682 C LEU A 42 97.826 3.182 2.183 1.00 0.00 C ATOM 683 O LEU A 42 97.822 2.964 0.971 1.00 0.00 O ATOM 684 CB LEU A 42 99.846 4.584 2.656 1.00 0.00 C ATOM 685 CG LEU A 42 99.622 5.573 3.805 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.620 6.726 3.689 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.201 6.129 3.735 1.00 0.00 C ATOM 0 H LEU A 42 100.190 2.125 1.523 1.00 0.00 H new ATOM 0 HA LEU A 42 98.954 3.174 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.914 4.417 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.464 5.005 1.726 1.00 0.00 H new ATOM 0 HG LEU A 42 99.765 5.058 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.460 7.429 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.636 6.334 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.476 7.237 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.045 6.832 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 42 98.057 6.642 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.486 5.311 3.818 1.00 0.00 H new ATOM 699 N VAL A 43 96.709 3.354 2.880 1.00 0.00 N ATOM 700 CA VAL A 43 95.404 3.291 2.220 1.00 0.00 C ATOM 701 C VAL A 43 94.452 4.362 2.742 1.00 0.00 C ATOM 702 O VAL A 43 94.755 5.073 3.699 1.00 0.00 O ATOM 703 CB VAL A 43 94.775 1.914 2.433 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.719 0.830 1.910 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.524 1.696 3.927 1.00 0.00 C ATOM 0 H VAL A 43 96.676 3.535 3.883 1.00 0.00 H new ATOM 0 HA VAL A 43 95.568 3.468 1.157 1.00 0.00 H new ATOM 0 HB VAL A 43 93.830 1.860 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.268 -0.150 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.897 0.985 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.666 0.882 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.075 0.715 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.469 1.752 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.848 2.466 4.299 1.00 0.00 H new ATOM 715 N GLY A 44 93.280 4.436 2.116 1.00 0.00 N ATOM 716 CA GLY A 44 92.245 5.387 2.531 1.00 0.00 C ATOM 717 C GLY A 44 91.246 4.680 3.446 1.00 0.00 C ATOM 718 O GLY A 44 90.958 3.501 3.243 1.00 0.00 O ATOM 0 H GLY A 44 93.021 3.852 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.698 6.231 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.733 5.789 1.657 1.00 0.00 H new ATOM 722 N GLN A 45 90.732 5.371 4.468 1.00 0.00 N ATOM 723 CA GLN A 45 89.791 4.743 5.398 1.00 0.00 C ATOM 724 C GLN A 45 88.355 4.813 4.881 1.00 0.00 C ATOM 725 O GLN A 45 87.802 5.905 4.758 1.00 0.00 O ATOM 726 CB GLN A 45 89.848 5.480 6.742 1.00 0.00 C ATOM 727 CG GLN A 45 89.056 4.697 7.805 1.00 0.00 C ATOM 728 CD GLN A 45 87.635 5.239 7.920 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.148 5.908 7.009 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.936 4.985 8.992 1.00 0.00 N ATOM 0 H GLN A 45 90.947 6.347 4.670 1.00 0.00 H new ATOM 0 HA GLN A 45 90.076 3.696 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.884 5.595 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.435 6.483 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.028 3.640 7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.559 4.771 8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.342 4.430 9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.984 5.341 9.076 1.00 0.00 H new ATOM 739 N PRO A 46 87.726 3.702 4.596 1.00 0.00 N ATOM 740 CA PRO A 46 86.322 3.706 4.117 1.00 0.00 C ATOM 741 C PRO A 46 85.335 3.715 5.290 1.00 0.00 C ATOM 742 O PRO A 46 85.705 3.406 6.423 1.00 0.00 O ATOM 743 CB PRO A 46 86.237 2.421 3.306 1.00 0.00 C ATOM 744 CG PRO A 46 87.173 1.476 4.004 1.00 0.00 C ATOM 745 CD PRO A 46 88.258 2.337 4.677 1.00 0.00 C ATOM 0 HA PRO A 46 86.063 4.590 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.220 2.030 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.536 2.584 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.639 0.880 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.618 0.779 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.424 2.034 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.214 2.250 4.161 1.00 0.00 H new ATOM 753 N GLN A 47 84.092 4.096 5.018 1.00 0.00 N ATOM 754 CA GLN A 47 83.070 4.169 6.063 1.00 0.00 C ATOM 755 C GLN A 47 82.729 2.795 6.650 1.00 0.00 C ATOM 756 O GLN A 47 82.519 2.666 7.856 1.00 0.00 O ATOM 757 CB GLN A 47 81.799 4.800 5.490 1.00 0.00 C ATOM 758 CG GLN A 47 82.055 6.277 5.184 1.00 0.00 C ATOM 759 CD GLN A 47 80.964 6.818 4.266 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.931 6.073 3.983 1.00 0.00 O flip ATOM 761 NE2 GLN A 47 81.056 7.951 3.792 1.00 0.00 N flip ATOM 0 H GLN A 47 83.766 4.359 4.088 1.00 0.00 H new ATOM 0 HA GLN A 47 83.476 4.780 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.498 4.277 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.979 4.702 6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.078 6.850 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 47 83.030 6.395 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 47 81.864 8.533 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 47 80.324 8.308 3.178 1.00 0.00 H new ATOM 770 N ASP A 48 82.650 1.780 5.794 1.00 0.00 N ATOM 771 CA ASP A 48 82.303 0.430 6.244 1.00 0.00 C ATOM 772 C ASP A 48 83.438 -0.219 7.039 1.00 0.00 C ATOM 773 O ASP A 48 83.381 -1.409 7.351 1.00 0.00 O ATOM 774 CB ASP A 48 81.961 -0.445 5.035 1.00 0.00 C ATOM 775 CG ASP A 48 80.556 -0.123 4.537 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.205 1.046 4.527 1.00 0.00 O ATOM 777 OD2 ASP A 48 79.850 -1.051 4.174 1.00 0.00 O ATOM 0 H ASP A 48 82.820 1.862 4.792 1.00 0.00 H new ATOM 0 HA ASP A 48 81.440 0.515 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.685 -0.277 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.026 -1.498 5.308 1.00 0.00 H new ATOM 782 N TRP A 49 84.466 0.557 7.353 1.00 0.00 N ATOM 783 CA TRP A 49 85.610 0.036 8.100 1.00 0.00 C ATOM 784 C TRP A 49 85.200 -0.489 9.472 1.00 0.00 C ATOM 785 O TRP A 49 85.582 0.075 10.494 1.00 0.00 O ATOM 786 CB TRP A 49 86.643 1.139 8.293 1.00 0.00 C ATOM 787 CG TRP A 49 87.901 0.566 8.865 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.216 0.538 10.176 1.00 0.00 C ATOM 789 CD2 TRP A 49 88.997 -0.055 8.160 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.464 -0.056 10.328 1.00 0.00 N ATOM 791 CE2 TRP A 49 89.995 -0.428 9.098 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.216 -0.315 6.801 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.179 -1.044 8.671 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.395 -0.929 6.378 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.373 -1.287 7.307 1.00 0.00 C ATOM 0 H TRP A 49 84.535 1.544 7.105 1.00 0.00 H new ATOM 0 HA TRP A 49 86.028 -0.789 7.523 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.854 1.622 7.339 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.248 1.907 8.958 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.599 0.916 10.978 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.929 -0.200 11.224 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.466 -0.038 6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.935 -1.329 9.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.551 -1.128 5.328 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.286 -1.755 6.970 1.00 0.00 H new ATOM 806 N ASN A 50 84.444 -1.578 9.501 1.00 0.00 N ATOM 807 CA ASN A 50 84.036 -2.155 10.781 1.00 0.00 C ATOM 808 C ASN A 50 85.026 -3.239 11.199 1.00 0.00 C ATOM 809 O ASN A 50 84.761 -4.428 11.033 1.00 0.00 O ATOM 810 CB ASN A 50 82.623 -2.737 10.692 1.00 0.00 C ATOM 811 CG ASN A 50 82.218 -3.329 12.039 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.207 -2.926 12.616 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.949 -4.268 12.576 1.00 0.00 N ATOM 0 H ASN A 50 84.106 -2.073 8.676 1.00 0.00 H new ATOM 0 HA ASN A 50 84.031 -1.364 11.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.918 -1.959 10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.585 -3.506 9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.683 -4.670 13.475 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.786 -4.600 12.096 1.00 0.00 H new ATOM 820 N GLY A 51 86.171 -2.822 11.735 1.00 0.00 N ATOM 821 CA GLY A 51 87.194 -3.773 12.164 1.00 0.00 C ATOM 822 C GLY A 51 87.858 -3.322 13.461 1.00 0.00 C ATOM 823 O GLY A 51 87.793 -2.149 13.826 1.00 0.00 O ATOM 0 H GLY A 51 86.412 -1.842 11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.744 -4.756 12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 51 87.948 -3.877 11.384 1.00 0.00 H new ATOM 827 N ASP A 52 88.492 -4.266 14.155 1.00 0.00 N ATOM 828 CA ASP A 52 89.165 -3.964 15.415 1.00 0.00 C ATOM 829 C ASP A 52 90.663 -3.743 15.187 1.00 0.00 C ATOM 830 O ASP A 52 91.394 -4.697 14.921 1.00 0.00 O ATOM 831 CB ASP A 52 88.976 -5.127 16.391 1.00 0.00 C ATOM 832 CG ASP A 52 89.585 -4.777 17.745 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.388 -3.859 17.791 1.00 0.00 O ATOM 834 OD2 ASP A 52 89.240 -5.431 18.715 1.00 0.00 O ATOM 0 H ASP A 52 88.553 -5.242 13.867 1.00 0.00 H new ATOM 0 HA ASP A 52 88.730 -3.054 15.829 1.00 0.00 H new ATOM 0 HB2 ASP A 52 87.915 -5.347 16.506 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.446 -6.026 15.993 1.00 0.00 H new ATOM 839 N PRO A 53 91.140 -2.526 15.283 1.00 0.00 N ATOM 840 CA PRO A 53 92.586 -2.221 15.077 1.00 0.00 C ATOM 841 C PRO A 53 93.492 -3.171 15.844 1.00 0.00 C ATOM 842 O PRO A 53 94.662 -3.337 15.499 1.00 0.00 O ATOM 843 CB PRO A 53 92.737 -0.783 15.577 1.00 0.00 C ATOM 844 CG PRO A 53 91.382 -0.172 15.435 1.00 0.00 C ATOM 845 CD PRO A 53 90.368 -1.309 15.593 1.00 0.00 C ATOM 0 HA PRO A 53 92.881 -2.340 14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.072 -0.760 16.614 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.477 -0.239 14.991 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.223 0.596 16.191 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.275 0.310 14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.961 -1.342 16.603 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.525 -1.188 14.913 1.00 0.00 H new ATOM 853 N GLN A 54 92.954 -3.781 16.889 1.00 0.00 N ATOM 854 CA GLN A 54 93.743 -4.695 17.696 1.00 0.00 C ATOM 855 C GLN A 54 93.954 -6.025 16.978 1.00 0.00 C ATOM 856 O GLN A 54 94.915 -6.742 17.259 1.00 0.00 O ATOM 857 CB GLN A 54 93.054 -4.944 19.038 1.00 0.00 C ATOM 858 CG GLN A 54 93.103 -3.671 19.882 1.00 0.00 C ATOM 859 CD GLN A 54 92.129 -3.783 21.049 1.00 0.00 C ATOM 860 OE1 GLN A 54 92.532 -3.693 22.208 1.00 0.00 O ATOM 861 NE2 GLN A 54 90.860 -3.975 20.809 1.00 0.00 N ATOM 0 H GLN A 54 91.988 -3.662 17.194 1.00 0.00 H new ATOM 0 HA GLN A 54 94.716 -4.234 17.865 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.019 -5.246 18.877 1.00 0.00 H new ATOM 0 HB3 GLN A 54 93.546 -5.761 19.565 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.114 -3.511 20.256 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.850 -2.807 19.267 1.00 0.00 H new ATOM 0 HE21 GLN A 54 90.528 -4.049 19.847 1.00 0.00 H new ATOM 0 HE22 GLN A 54 90.200 -4.051 21.583 1.00 0.00 H new ATOM 870 N ARG A 55 93.058 -6.354 16.051 1.00 0.00 N ATOM 871 CA ARG A 55 93.173 -7.607 15.310 1.00 0.00 C ATOM 872 C ARG A 55 93.859 -7.355 13.966 1.00 0.00 C ATOM 873 O ARG A 55 93.768 -6.265 13.409 1.00 0.00 O ATOM 874 CB ARG A 55 91.785 -8.227 15.097 1.00 0.00 C ATOM 875 CG ARG A 55 91.360 -9.007 16.352 1.00 0.00 C ATOM 876 CD ARG A 55 90.884 -8.037 17.444 1.00 0.00 C ATOM 877 NE ARG A 55 89.434 -8.095 17.574 1.00 0.00 N ATOM 878 CZ ARG A 55 88.843 -9.088 18.229 1.00 0.00 C ATOM 879 NH1 ARG A 55 89.564 -10.037 18.762 1.00 0.00 N ATOM 880 NH2 ARG A 55 87.544 -9.113 18.342 1.00 0.00 N ATOM 0 H ARG A 55 92.255 -5.779 15.797 1.00 0.00 H new ATOM 0 HA ARG A 55 93.778 -8.307 15.887 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.057 -7.445 14.881 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.803 -8.892 14.234 1.00 0.00 H new ATOM 0 HG2 ARG A 55 90.561 -9.705 16.102 1.00 0.00 H new ATOM 0 HG3 ARG A 55 92.197 -9.600 16.721 1.00 0.00 H new ATOM 0 HD2 ARG A 55 91.352 -8.291 18.395 1.00 0.00 H new ATOM 0 HD3 ARG A 55 91.194 -7.021 17.198 1.00 0.00 H new ATOM 0 HE ARG A 55 88.863 -7.361 17.155 1.00 0.00 H new ATOM 0 HH11 ARG A 55 90.580 -10.015 18.675 1.00 0.00 H new ATOM 0 HH12 ARG A 55 89.111 -10.800 19.265 1.00 0.00 H new ATOM 0 HH21 ARG A 55 86.982 -8.370 17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 55 87.090 -9.876 18.845 1.00 0.00 H new ATOM 894 N PRO A 56 94.566 -8.333 13.459 1.00 0.00 N ATOM 895 CA PRO A 56 95.314 -8.209 12.170 1.00 0.00 C ATOM 896 C PRO A 56 94.411 -7.930 10.973 1.00 0.00 C ATOM 897 O PRO A 56 93.205 -8.172 11.011 1.00 0.00 O ATOM 898 CB PRO A 56 96.040 -9.554 12.023 1.00 0.00 C ATOM 899 CG PRO A 56 95.301 -10.504 12.910 1.00 0.00 C ATOM 900 CD PRO A 56 94.731 -9.669 14.054 1.00 0.00 C ATOM 0 HA PRO A 56 95.994 -7.357 12.190 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.030 -9.895 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.085 -9.471 12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.505 -11.007 12.362 1.00 0.00 H new ATOM 0 HG3 PRO A 56 95.967 -11.279 13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.781 -10.070 14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.407 -9.646 14.909 1.00 0.00 H new ATOM 908 N PHE A 57 95.028 -7.424 9.909 1.00 0.00 N ATOM 909 CA PHE A 57 94.320 -7.106 8.676 1.00 0.00 C ATOM 910 C PHE A 57 95.074 -7.707 7.491 1.00 0.00 C ATOM 911 O PHE A 57 96.288 -7.895 7.567 1.00 0.00 O ATOM 912 CB PHE A 57 94.265 -5.584 8.488 1.00 0.00 C ATOM 913 CG PHE A 57 93.491 -4.939 9.616 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.081 -4.782 10.876 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.183 -4.487 9.398 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.361 -4.176 11.916 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.466 -3.883 10.436 1.00 0.00 C ATOM 918 CZ PHE A 57 92.054 -3.729 11.694 1.00 0.00 C ATOM 0 H PHE A 57 96.028 -7.224 9.878 1.00 0.00 H new ATOM 0 HA PHE A 57 93.310 -7.513 8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.276 -5.179 8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.795 -5.346 7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.090 -5.127 11.047 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.727 -4.605 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 57 93.816 -4.054 12.888 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.458 -3.536 10.265 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.499 -3.265 12.496 1.00 0.00 H new ATOM 928 N GLU A 58 94.377 -7.981 6.390 1.00 0.00 N ATOM 929 CA GLU A 58 95.042 -8.526 5.202 1.00 0.00 C ATOM 930 C GLU A 58 94.795 -7.595 4.024 1.00 0.00 C ATOM 931 O GLU A 58 93.689 -7.098 3.853 1.00 0.00 O ATOM 932 CB GLU A 58 94.525 -9.933 4.891 1.00 0.00 C ATOM 933 CG GLU A 58 94.595 -10.795 6.153 1.00 0.00 C ATOM 934 CD GLU A 58 94.455 -12.269 5.788 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.618 -12.576 4.956 1.00 0.00 O ATOM 936 OE2 GLU A 58 95.187 -13.070 6.347 1.00 0.00 O ATOM 0 H GLU A 58 93.372 -7.839 6.293 1.00 0.00 H new ATOM 0 HA GLU A 58 96.113 -8.598 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.498 -9.882 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.121 -10.383 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.542 -10.627 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 58 93.803 -10.507 6.844 1.00 0.00 H new ATOM 943 N ALA A 59 95.825 -7.321 3.234 1.00 0.00 N ATOM 944 CA ALA A 59 95.688 -6.406 2.106 1.00 0.00 C ATOM 945 C ALA A 59 95.963 -7.089 0.776 1.00 0.00 C ATOM 946 O ALA A 59 96.917 -7.855 0.637 1.00 0.00 O ATOM 947 CB ALA A 59 96.696 -5.266 2.270 1.00 0.00 C ATOM 0 H ALA A 59 96.758 -7.715 3.351 1.00 0.00 H new ATOM 0 HA ALA A 59 94.661 -6.041 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.603 -4.575 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.497 -4.736 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.706 -5.674 2.293 1.00 0.00 H new ATOM 953 N ARG A 60 95.138 -6.767 -0.211 1.00 0.00 N ATOM 954 CA ARG A 60 95.308 -7.306 -1.551 1.00 0.00 C ATOM 955 C ARG A 60 95.417 -6.146 -2.533 1.00 0.00 C ATOM 956 O ARG A 60 94.574 -5.248 -2.529 1.00 0.00 O ATOM 957 CB ARG A 60 94.103 -8.179 -1.916 1.00 0.00 C ATOM 958 CG ARG A 60 94.128 -9.480 -1.090 1.00 0.00 C ATOM 959 CD ARG A 60 93.889 -10.686 -2.003 1.00 0.00 C ATOM 960 NE ARG A 60 92.528 -10.658 -2.528 1.00 0.00 N ATOM 961 CZ ARG A 60 91.514 -11.176 -1.840 1.00 0.00 C ATOM 962 NH1 ARG A 60 91.731 -11.725 -0.675 1.00 0.00 N ATOM 963 NH2 ARG A 60 90.305 -11.138 -2.329 1.00 0.00 N ATOM 0 H ARG A 60 94.344 -6.135 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 60 96.210 -7.916 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.178 -7.635 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.122 -8.413 -2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.088 -9.581 -0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.362 -9.443 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 60 94.604 -10.676 -2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.054 -11.610 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 60 92.351 -10.234 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 60 92.677 -11.756 -0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 60 90.955 -12.123 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 60 90.136 -10.711 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 60 89.528 -11.536 -1.801 1.00 0.00 H new ATOM 977 N LEU A 61 96.461 -6.145 -3.354 1.00 0.00 N ATOM 978 CA LEU A 61 96.660 -5.057 -4.310 1.00 0.00 C ATOM 979 C LEU A 61 96.421 -5.527 -5.736 1.00 0.00 C ATOM 980 O LEU A 61 96.630 -6.696 -6.062 1.00 0.00 O ATOM 981 CB LEU A 61 98.088 -4.516 -4.194 1.00 0.00 C ATOM 982 CG LEU A 61 98.490 -4.421 -2.722 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.960 -4.012 -2.626 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.623 -3.371 -2.025 1.00 0.00 C ATOM 0 H LEU A 61 97.175 -6.873 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 61 95.942 -4.271 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.778 -5.170 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.153 -3.534 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 61 98.347 -5.388 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.251 -3.943 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.578 -4.757 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.100 -3.043 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.908 -3.302 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.768 -2.403 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.574 -3.659 -2.098 1.00 0.00 H new ATOM 996 N TYR A 62 95.987 -4.601 -6.585 1.00 0.00 N ATOM 997 CA TYR A 62 95.728 -4.921 -7.983 1.00 0.00 C ATOM 998 C TYR A 62 96.369 -3.880 -8.895 1.00 0.00 C ATOM 999 O TYR A 62 95.904 -2.740 -8.979 1.00 0.00 O ATOM 1000 CB TYR A 62 94.222 -4.961 -8.245 1.00 0.00 C ATOM 1001 CG TYR A 62 93.556 -5.877 -7.248 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.245 -5.409 -5.965 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.253 -7.195 -7.606 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.627 -6.264 -5.040 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.637 -8.047 -6.683 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.324 -7.582 -5.401 1.00 0.00 C ATOM 1007 OH TYR A 62 91.717 -8.422 -4.490 1.00 0.00 O ATOM 0 H TYR A 62 95.808 -3.629 -6.331 1.00 0.00 H new ATOM 0 HA TYR A 62 96.160 -5.899 -8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.803 -3.958 -8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 62 94.029 -5.310 -9.259 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.480 -4.392 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.495 -7.555 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.385 -5.906 -4.050 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.403 -9.064 -6.960 1.00 0.00 H new ATOM 0 HH TYR A 62 91.361 -9.207 -4.956 1.00 0.00 H new ATOM 1017 N LEU A 63 97.431 -4.289 -9.588 1.00 0.00 N ATOM 1018 CA LEU A 63 98.127 -3.398 -10.513 1.00 0.00 C ATOM 1019 C LEU A 63 97.725 -3.755 -11.942 1.00 0.00 C ATOM 1020 O LEU A 63 96.795 -3.168 -12.497 1.00 0.00 O ATOM 1021 CB LEU A 63 99.647 -3.530 -10.330 1.00 0.00 C ATOM 1022 CG LEU A 63 100.342 -2.237 -10.772 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.857 -2.442 -10.752 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.900 -1.870 -12.192 1.00 0.00 C ATOM 0 H LEU A 63 97.826 -5.227 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 63 97.850 -2.364 -10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.879 -3.739 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 63 100.020 -4.371 -10.914 1.00 0.00 H new ATOM 0 HG LEU A 63 100.070 -1.432 -10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.353 -1.523 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 63 102.176 -2.699 -9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 63 102.124 -3.250 -11.434 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.397 -0.950 -12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.168 -2.675 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.820 -1.723 -12.210 1.00 0.00 H new ATOM 1036 N GLY A 64 98.402 -4.742 -12.520 1.00 0.00 N ATOM 1037 CA GLY A 64 98.070 -5.185 -13.867 1.00 0.00 C ATOM 1038 C GLY A 64 96.810 -6.038 -13.807 1.00 0.00 C ATOM 1039 O GLY A 64 96.257 -6.248 -12.728 1.00 0.00 O ATOM 0 H GLY A 64 99.174 -5.244 -12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.913 -4.326 -14.519 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.895 -5.759 -14.289 1.00 0.00 H new ATOM 1043 N LEU A 65 96.342 -6.525 -14.950 1.00 0.00 N ATOM 1044 CA LEU A 65 95.135 -7.339 -14.947 1.00 0.00 C ATOM 1045 C LEU A 65 95.435 -8.727 -14.386 1.00 0.00 C ATOM 1046 O LEU A 65 94.582 -9.349 -13.754 1.00 0.00 O ATOM 1047 CB LEU A 65 94.561 -7.457 -16.361 1.00 0.00 C ATOM 1048 CG LEU A 65 93.852 -6.153 -16.738 1.00 0.00 C ATOM 1049 CD1 LEU A 65 94.813 -4.974 -16.562 1.00 0.00 C ATOM 1050 CD2 LEU A 65 93.399 -6.228 -18.198 1.00 0.00 C ATOM 0 H LEU A 65 96.766 -6.376 -15.866 1.00 0.00 H new ATOM 0 HA LEU A 65 94.395 -6.853 -14.311 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.360 -7.667 -17.072 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.861 -8.291 -16.412 1.00 0.00 H new ATOM 0 HG LEU A 65 92.986 -6.011 -16.092 1.00 0.00 H new ATOM 0 HD11 LEU A 65 94.306 -4.048 -16.831 1.00 0.00 H new ATOM 0 HD12 LEU A 65 95.138 -4.921 -15.523 1.00 0.00 H new ATOM 0 HD13 LEU A 65 95.681 -5.113 -17.207 1.00 0.00 H new ATOM 0 HD21 LEU A 65 92.894 -5.301 -18.470 1.00 0.00 H new ATOM 0 HD22 LEU A 65 94.267 -6.370 -18.841 1.00 0.00 H new ATOM 0 HD23 LEU A 65 92.713 -7.066 -18.324 1.00 0.00 H new ATOM 1062 N ASP A 66 96.655 -9.208 -14.622 1.00 0.00 N ATOM 1063 CA ASP A 66 97.090 -10.519 -14.154 1.00 0.00 C ATOM 1064 C ASP A 66 97.983 -10.396 -12.920 1.00 0.00 C ATOM 1065 O ASP A 66 98.595 -11.374 -12.495 1.00 0.00 O ATOM 1066 CB ASP A 66 97.910 -11.179 -15.265 1.00 0.00 C ATOM 1067 CG ASP A 66 98.137 -12.652 -14.939 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.680 -13.084 -13.893 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.763 -13.326 -15.740 1.00 0.00 O ATOM 0 H ASP A 66 97.368 -8.698 -15.143 1.00 0.00 H new ATOM 0 HA ASP A 66 96.209 -11.107 -13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.389 -11.085 -16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.868 -10.670 -15.373 1.00 0.00 H new ATOM 1074 N VAL A 67 98.069 -9.192 -12.356 1.00 0.00 N ATOM 1075 CA VAL A 67 98.914 -8.973 -11.181 1.00 0.00 C ATOM 1076 C VAL A 67 98.086 -8.859 -9.912 1.00 0.00 C ATOM 1077 O VAL A 67 97.615 -7.780 -9.545 1.00 0.00 O ATOM 1078 CB VAL A 67 99.776 -7.714 -11.370 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.270 -7.196 -10.010 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.989 -8.057 -12.242 1.00 0.00 C ATOM 0 H VAL A 67 97.573 -8.364 -12.686 1.00 0.00 H new ATOM 0 HA VAL A 67 99.567 -9.839 -11.076 1.00 0.00 H new ATOM 0 HB VAL A 67 99.173 -6.943 -11.850 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.879 -6.304 -10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.414 -6.950 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.868 -7.966 -9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.603 -7.166 -12.378 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.579 -8.833 -11.755 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.649 -8.415 -13.214 1.00 0.00 H new ATOM 1090 N LEU A 68 97.942 -9.992 -9.236 1.00 0.00 N ATOM 1091 CA LEU A 68 97.207 -10.054 -7.985 1.00 0.00 C ATOM 1092 C LEU A 68 98.207 -10.290 -6.855 1.00 0.00 C ATOM 1093 O LEU A 68 98.898 -11.310 -6.837 1.00 0.00 O ATOM 1094 CB LEU A 68 96.187 -11.200 -8.055 1.00 0.00 C ATOM 1095 CG LEU A 68 95.812 -11.670 -6.650 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.253 -10.492 -5.845 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.751 -12.771 -6.751 1.00 0.00 C ATOM 0 H LEU A 68 98.329 -10.886 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 68 96.669 -9.124 -7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.294 -10.868 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.604 -12.031 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 68 96.698 -12.060 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.986 -10.830 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.008 -9.709 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.367 -10.099 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.481 -13.109 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.866 -12.379 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.150 -13.610 -7.322 1.00 0.00 H new ATOM 1109 N ILE A 69 98.303 -9.338 -5.930 1.00 0.00 N ATOM 1110 CA ILE A 69 99.256 -9.459 -4.822 1.00 0.00 C ATOM 1111 C ILE A 69 98.534 -9.551 -3.479 1.00 0.00 C ATOM 1112 O ILE A 69 97.511 -8.903 -3.263 1.00 0.00 O ATOM 1113 CB ILE A 69 100.212 -8.258 -4.843 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.144 -8.381 -6.067 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.046 -8.220 -3.552 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.390 -7.000 -6.687 1.00 0.00 C ATOM 0 H ILE A 69 97.743 -8.485 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 69 99.827 -10.379 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 69 99.635 -7.336 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.092 -8.827 -5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.698 -9.046 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.720 -7.364 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.382 -8.132 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.628 -9.138 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 69 102.049 -7.101 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.440 -6.569 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.856 -6.347 -5.949 1.00 0.00 H new ATOM 1128 N ARG A 70 99.096 -10.358 -2.574 1.00 0.00 N ATOM 1129 CA ARG A 70 98.523 -10.529 -1.240 1.00 0.00 C ATOM 1130 C ARG A 70 99.576 -10.301 -0.157 1.00 0.00 C ATOM 1131 O ARG A 70 100.674 -10.868 -0.205 1.00 0.00 O ATOM 1132 CB ARG A 70 97.921 -11.928 -1.094 1.00 0.00 C ATOM 1133 CG ARG A 70 98.629 -12.903 -2.039 1.00 0.00 C ATOM 1134 CD ARG A 70 98.230 -14.343 -1.685 1.00 0.00 C ATOM 1135 NE ARG A 70 97.058 -14.344 -0.808 1.00 0.00 N ATOM 1136 CZ ARG A 70 96.069 -15.225 -0.960 1.00 0.00 C ATOM 1137 NH1 ARG A 70 96.131 -16.132 -1.896 1.00 0.00 N ATOM 1138 NH2 ARG A 70 95.037 -15.182 -0.163 1.00 0.00 N ATOM 0 H ARG A 70 99.944 -10.900 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 70 97.735 -9.786 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.020 -12.270 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 70 96.855 -11.900 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 70 98.360 -12.684 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.709 -12.784 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 70 98.012 -14.901 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 99.061 -14.848 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 70 96.996 -13.652 -0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 70 96.940 -16.170 -2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 70 95.371 -16.803 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 70 94.989 -14.477 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 70 94.278 -15.854 -0.275 1.00 0.00 H new ATOM 1152 N MET A 71 99.222 -9.477 0.825 1.00 0.00 N ATOM 1153 CA MET A 71 100.121 -9.174 1.932 1.00 0.00 C ATOM 1154 C MET A 71 99.329 -9.123 3.236 1.00 0.00 C ATOM 1155 O MET A 71 98.175 -8.703 3.250 1.00 0.00 O ATOM 1156 CB MET A 71 100.825 -7.815 1.716 1.00 0.00 C ATOM 1157 CG MET A 71 100.729 -7.354 0.248 1.00 0.00 C ATOM 1158 SD MET A 71 102.247 -6.479 -0.222 1.00 0.00 S ATOM 1159 CE MET A 71 102.033 -5.001 0.801 1.00 0.00 C ATOM 0 H MET A 71 98.318 -9.007 0.876 1.00 0.00 H new ATOM 0 HA MET A 71 100.877 -9.958 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.374 -7.064 2.364 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.873 -7.897 2.004 1.00 0.00 H new ATOM 0 HG2 MET A 71 100.578 -8.214 -0.404 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.867 -6.700 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.990 -4.722 1.242 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.666 -4.181 0.184 1.00 0.00 H new ATOM 0 HE3 MET A 71 101.314 -5.208 1.594 1.00 0.00 H new ATOM 1169 N GLU A 72 99.969 -9.507 4.332 1.00 0.00 N ATOM 1170 CA GLU A 72 99.329 -9.454 5.641 1.00 0.00 C ATOM 1171 C GLU A 72 99.837 -8.201 6.336 1.00 0.00 C ATOM 1172 O GLU A 72 101.036 -7.925 6.293 1.00 0.00 O ATOM 1173 CB GLU A 72 99.669 -10.711 6.460 1.00 0.00 C ATOM 1174 CG GLU A 72 98.383 -11.347 6.999 1.00 0.00 C ATOM 1175 CD GLU A 72 97.639 -12.054 5.871 1.00 0.00 C ATOM 1176 OE1 GLU A 72 97.086 -11.366 5.029 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.634 -13.274 5.865 1.00 0.00 O ATOM 0 H GLU A 72 100.927 -9.857 4.342 1.00 0.00 H new ATOM 0 HA GLU A 72 98.244 -9.422 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 72 100.206 -11.427 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.330 -10.449 7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.623 -12.058 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.746 -10.581 7.442 1.00 0.00 H new ATOM 1184 N ILE A 73 98.949 -7.403 6.923 1.00 0.00 N ATOM 1185 CA ILE A 73 99.400 -6.158 7.537 1.00 0.00 C ATOM 1186 C ILE A 73 98.678 -5.827 8.841 1.00 0.00 C ATOM 1187 O ILE A 73 97.559 -6.278 9.087 1.00 0.00 O ATOM 1188 CB ILE A 73 99.152 -5.031 6.541 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.636 -4.801 6.414 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.728 -5.432 5.182 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.323 -3.851 5.252 1.00 0.00 C ATOM 0 H ILE A 73 97.948 -7.586 6.986 1.00 0.00 H new ATOM 0 HA ILE A 73 100.456 -6.273 7.783 1.00 0.00 H new ATOM 0 HB ILE A 73 99.632 -4.114 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.131 -5.754 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.248 -4.385 7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.555 -4.631 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.799 -5.608 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.241 -6.343 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.245 -3.704 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.810 -2.891 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.691 -4.281 4.321 1.00 0.00 H new ATOM 1203 N SER A 74 99.339 -5.007 9.656 1.00 0.00 N ATOM 1204 CA SER A 74 98.782 -4.566 10.932 1.00 0.00 C ATOM 1205 C SER A 74 98.722 -3.038 10.973 1.00 0.00 C ATOM 1206 O SER A 74 99.470 -2.362 10.265 1.00 0.00 O ATOM 1207 CB SER A 74 99.646 -5.080 12.088 1.00 0.00 C ATOM 1208 OG SER A 74 100.992 -5.207 11.648 1.00 0.00 O ATOM 0 H SER A 74 100.266 -4.633 9.453 1.00 0.00 H new ATOM 0 HA SER A 74 97.774 -4.968 11.035 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.591 -4.393 12.932 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.273 -6.043 12.436 1.00 0.00 H new ATOM 0 HG SER A 74 101.189 -6.149 11.464 1.00 0.00 H new ATOM 1214 N LEU A 75 97.830 -2.502 11.796 1.00 0.00 N ATOM 1215 CA LEU A 75 97.673 -1.056 11.914 1.00 0.00 C ATOM 1216 C LEU A 75 98.932 -0.425 12.495 1.00 0.00 C ATOM 1217 O LEU A 75 99.307 -0.707 13.633 1.00 0.00 O ATOM 1218 CB LEU A 75 96.487 -0.752 12.844 1.00 0.00 C ATOM 1219 CG LEU A 75 95.791 0.554 12.420 1.00 0.00 C ATOM 1220 CD1 LEU A 75 96.825 1.677 12.284 1.00 0.00 C ATOM 1221 CD2 LEU A 75 95.063 0.353 11.080 1.00 0.00 C ATOM 0 H LEU A 75 97.204 -3.045 12.391 1.00 0.00 H new ATOM 0 HA LEU A 75 97.495 -0.641 10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.775 -1.576 12.816 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.836 -0.667 13.873 1.00 0.00 H new ATOM 0 HG LEU A 75 95.063 0.829 13.183 1.00 0.00 H new ATOM 0 HD11 LEU A 75 96.325 2.598 11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 75 97.324 1.830 13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 75 97.563 1.403 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.574 1.282 10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 75 95.783 0.067 10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.315 -0.433 11.187 1.00 0.00 H new ATOM 1233 N ALA A 76 99.552 0.469 11.726 1.00 0.00 N ATOM 1234 CA ALA A 76 100.732 1.175 12.207 1.00 0.00 C ATOM 1235 C ALA A 76 100.329 2.548 12.753 1.00 0.00 C ATOM 1236 O ALA A 76 100.838 2.995 13.781 1.00 0.00 O ATOM 1237 CB ALA A 76 101.783 1.286 11.105 1.00 0.00 C ATOM 0 H ALA A 76 99.260 0.717 10.781 1.00 0.00 H new ATOM 0 HA ALA A 76 101.183 0.608 13.021 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.655 1.817 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.078 0.288 10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.367 1.833 10.259 1.00 0.00 H new ATOM 1243 N TRP A 77 99.402 3.204 12.053 1.00 0.00 N ATOM 1244 CA TRP A 77 98.917 4.525 12.464 1.00 0.00 C ATOM 1245 C TRP A 77 97.722 4.940 11.601 1.00 0.00 C ATOM 1246 O TRP A 77 97.436 4.313 10.583 1.00 0.00 O ATOM 1247 CB TRP A 77 100.034 5.565 12.297 1.00 0.00 C ATOM 1248 CG TRP A 77 100.385 5.626 10.848 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.363 4.906 10.261 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.768 6.422 9.795 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.351 5.163 8.906 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.398 6.108 8.573 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.720 7.360 9.776 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.015 6.707 7.373 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.327 7.966 8.570 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.979 7.644 7.370 1.00 0.00 C ATOM 0 H TRP A 77 98.972 2.844 11.201 1.00 0.00 H new ATOM 0 HA TRP A 77 98.612 4.473 13.509 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.704 6.541 12.652 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.906 5.289 12.890 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.043 4.238 10.768 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.969 4.711 8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.214 7.617 10.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.516 6.448 6.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.519 8.683 8.567 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.681 8.119 6.447 1.00 0.00 H new ATOM 1267 N ALA A 78 97.050 6.020 11.999 1.00 0.00 N ATOM 1268 CA ALA A 78 95.914 6.535 11.235 1.00 0.00 C ATOM 1269 C ALA A 78 95.811 8.043 11.432 1.00 0.00 C ATOM 1270 O ALA A 78 95.711 8.514 12.565 1.00 0.00 O ATOM 1271 CB ALA A 78 94.626 5.880 11.739 1.00 0.00 C ATOM 0 H ALA A 78 97.271 6.552 12.841 1.00 0.00 H new ATOM 0 HA ALA A 78 96.057 6.310 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.777 6.262 11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.692 4.800 11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.489 6.111 12.795 1.00 0.00 H new ATOM 1277 N ARG A 79 95.835 8.810 10.340 1.00 0.00 N ATOM 1278 CA ARG A 79 95.741 10.262 10.467 1.00 0.00 C ATOM 1279 C ARG A 79 95.124 10.926 9.232 1.00 0.00 C ATOM 1280 O ARG A 79 95.534 10.659 8.103 1.00 0.00 O ATOM 1281 CB ARG A 79 97.135 10.840 10.736 1.00 0.00 C ATOM 1282 CG ARG A 79 97.024 12.248 11.328 1.00 0.00 C ATOM 1283 CD ARG A 79 98.412 12.745 11.747 1.00 0.00 C ATOM 1284 NE ARG A 79 98.290 13.770 12.779 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.130 13.442 14.057 1.00 0.00 C ATOM 1286 NH1 ARG A 79 98.083 12.185 14.405 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.024 14.374 14.963 1.00 0.00 N ATOM 0 H ARG A 79 95.916 8.461 9.385 1.00 0.00 H new ATOM 0 HA ARG A 79 95.076 10.476 11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.678 10.191 11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.707 10.872 9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.590 12.928 10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.356 12.239 12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 79 99.007 11.912 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.938 13.150 10.882 1.00 0.00 H new ATOM 0 HE ARG A 79 98.328 14.754 12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 79 98.169 11.456 13.697 1.00 0.00 H new ATOM 0 HH12 ARG A 79 97.960 11.931 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.064 15.356 14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 79 97.901 14.121 15.943 1.00 0.00 H new ATOM 1301 N ASP A 80 94.182 11.843 9.462 1.00 0.00 N ATOM 1302 CA ASP A 80 93.568 12.597 8.369 1.00 0.00 C ATOM 1303 C ASP A 80 92.916 11.718 7.306 1.00 0.00 C ATOM 1304 O ASP A 80 93.094 11.964 6.113 1.00 0.00 O ATOM 1305 CB ASP A 80 94.629 13.472 7.699 1.00 0.00 C ATOM 1306 CG ASP A 80 93.957 14.564 6.872 1.00 0.00 C ATOM 1307 OD1 ASP A 80 92.876 14.315 6.364 1.00 0.00 O ATOM 1308 OD2 ASP A 80 94.535 15.632 6.759 1.00 0.00 O ATOM 0 H ASP A 80 93.830 12.080 10.390 1.00 0.00 H new ATOM 0 HA ASP A 80 92.776 13.197 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.273 13.921 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.266 12.861 7.060 1.00 0.00 H new ATOM 1313 N GLY A 81 92.119 10.737 7.713 1.00 0.00 N ATOM 1314 CA GLY A 81 91.419 9.906 6.738 1.00 0.00 C ATOM 1315 C GLY A 81 92.273 8.770 6.192 1.00 0.00 C ATOM 1316 O GLY A 81 91.738 7.741 5.783 1.00 0.00 O ATOM 0 H GLY A 81 91.943 10.500 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.525 9.489 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.086 10.532 5.910 1.00 0.00 H new ATOM 1320 N LEU A 82 93.591 8.945 6.158 1.00 0.00 N ATOM 1321 CA LEU A 82 94.455 7.901 5.623 1.00 0.00 C ATOM 1322 C LEU A 82 94.873 6.938 6.728 1.00 0.00 C ATOM 1323 O LEU A 82 94.806 7.265 7.912 1.00 0.00 O ATOM 1324 CB LEU A 82 95.694 8.530 4.979 1.00 0.00 C ATOM 1325 CG LEU A 82 95.307 9.852 4.309 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.514 10.417 3.552 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.160 9.607 3.324 1.00 0.00 C ATOM 0 H LEU A 82 94.075 9.781 6.487 1.00 0.00 H new ATOM 0 HA LEU A 82 93.903 7.343 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.461 8.704 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.120 7.848 4.243 1.00 0.00 H new ATOM 0 HG LEU A 82 94.990 10.564 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.237 11.358 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.333 10.591 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.832 9.705 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.883 10.547 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.479 8.894 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.300 9.205 3.860 1.00 0.00 H new ATOM 1339 N LEU A 83 95.286 5.738 6.327 1.00 0.00 N ATOM 1340 CA LEU A 83 95.690 4.713 7.282 1.00 0.00 C ATOM 1341 C LEU A 83 97.021 4.091 6.902 1.00 0.00 C ATOM 1342 O LEU A 83 97.238 3.754 5.738 1.00 0.00 O ATOM 1343 CB LEU A 83 94.656 3.588 7.249 1.00 0.00 C ATOM 1344 CG LEU A 83 93.252 4.153 7.460 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.228 3.047 7.196 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.101 4.651 8.901 1.00 0.00 C ATOM 0 H LEU A 83 95.349 5.453 5.350 1.00 0.00 H new ATOM 0 HA LEU A 83 95.771 5.182 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.706 3.067 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.881 2.855 8.024 1.00 0.00 H new ATOM 0 HG LEU A 83 93.088 4.986 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.222 3.440 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.332 2.692 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.400 2.220 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.098 5.052 9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.262 3.823 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.835 5.433 9.095 1.00 0.00 H new ATOM 1358 N GLY A 84 97.905 3.905 7.872 1.00 0.00 N ATOM 1359 CA GLY A 84 99.189 3.285 7.595 1.00 0.00 C ATOM 1360 C GLY A 84 99.151 1.825 8.001 1.00 0.00 C ATOM 1361 O GLY A 84 98.387 1.436 8.885 1.00 0.00 O ATOM 0 H GLY A 84 97.758 4.171 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.424 3.371 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.979 3.803 8.139 1.00 0.00 H new ATOM 1365 N PHE A 85 99.967 1.019 7.351 1.00 0.00 N ATOM 1366 CA PHE A 85 100.005 -0.401 7.654 1.00 0.00 C ATOM 1367 C PHE A 85 101.417 -0.945 7.495 1.00 0.00 C ATOM 1368 O PHE A 85 102.099 -0.643 6.515 1.00 0.00 O ATOM 1369 CB PHE A 85 99.062 -1.136 6.707 1.00 0.00 C ATOM 1370 CG PHE A 85 97.644 -1.037 7.218 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.210 -1.889 8.238 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.764 -0.097 6.670 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.897 -1.802 8.714 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.450 -0.011 7.146 1.00 0.00 C ATOM 1375 CZ PHE A 85 95.018 -0.862 8.169 1.00 0.00 C ATOM 0 H PHE A 85 100.608 1.318 6.616 1.00 0.00 H new ATOM 0 HA PHE A 85 99.691 -0.554 8.687 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.129 -0.707 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.357 -2.182 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.889 -2.615 8.659 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.098 0.561 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.563 -2.461 9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.769 0.713 6.723 1.00 0.00 H new ATOM 0 HZ PHE A 85 94.005 -0.793 8.538 1.00 0.00 H new ATOM 1385 N GLU A 86 101.851 -1.758 8.453 1.00 0.00 N ATOM 1386 CA GLU A 86 103.181 -2.345 8.392 1.00 0.00 C ATOM 1387 C GLU A 86 103.061 -3.809 7.980 1.00 0.00 C ATOM 1388 O GLU A 86 102.293 -4.566 8.575 1.00 0.00 O ATOM 1389 CB GLU A 86 103.864 -2.250 9.759 1.00 0.00 C ATOM 1390 CG GLU A 86 103.047 -3.018 10.800 1.00 0.00 C ATOM 1391 CD GLU A 86 103.476 -2.609 12.205 1.00 0.00 C ATOM 1392 OE1 GLU A 86 103.593 -1.419 12.444 1.00 0.00 O ATOM 1393 OE2 GLU A 86 103.681 -3.493 13.021 1.00 0.00 O ATOM 0 H GLU A 86 101.305 -2.022 9.273 1.00 0.00 H new ATOM 0 HA GLU A 86 103.781 -1.802 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.873 -2.659 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.960 -1.206 10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 86 101.985 -2.816 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 86 103.188 -4.091 10.666 1.00 0.00 H new ATOM 1400 N CYS A 87 103.797 -4.199 6.948 1.00 0.00 N ATOM 1401 CA CYS A 87 103.730 -5.572 6.459 1.00 0.00 C ATOM 1402 C CYS A 87 104.453 -6.536 7.395 1.00 0.00 C ATOM 1403 O CYS A 87 105.628 -6.355 7.712 1.00 0.00 O ATOM 1404 CB CYS A 87 104.341 -5.653 5.053 1.00 0.00 C ATOM 1405 SG CYS A 87 103.019 -5.749 3.819 1.00 0.00 S ATOM 0 H CYS A 87 104.440 -3.594 6.438 1.00 0.00 H new ATOM 0 HA CYS A 87 102.681 -5.865 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.964 -4.778 4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 87 104.987 -6.527 4.977 1.00 0.00 H new ATOM 0 HG CYS A 87 102.539 -4.560 3.604 1.00 0.00 H new ATOM 1411 N GLN A 88 103.734 -7.567 7.831 1.00 0.00 N ATOM 1412 CA GLN A 88 104.302 -8.567 8.728 1.00 0.00 C ATOM 1413 C GLN A 88 104.649 -9.834 7.947 1.00 0.00 C ATOM 1414 O GLN A 88 105.591 -10.547 8.292 1.00 0.00 O ATOM 1415 CB GLN A 88 103.314 -8.895 9.859 1.00 0.00 C ATOM 1416 CG GLN A 88 101.897 -8.475 9.453 1.00 0.00 C ATOM 1417 CD GLN A 88 100.954 -8.618 10.639 1.00 0.00 C ATOM 1418 OE1 GLN A 88 100.745 -7.592 11.416 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 100.393 -9.690 10.864 1.00 0.00 N flip ATOM 0 H GLN A 88 102.760 -7.731 7.578 1.00 0.00 H new ATOM 0 HA GLN A 88 105.213 -8.163 9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.338 -9.963 10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.608 -8.378 10.772 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.901 -7.443 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.549 -9.092 8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 88 100.559 -10.490 10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 88 99.762 -9.778 11.661 1.00 0.00 H new ATOM 1428 N HIS A 89 103.897 -10.097 6.879 1.00 0.00 N ATOM 1429 CA HIS A 89 104.157 -11.265 6.045 1.00 0.00 C ATOM 1430 C HIS A 89 103.555 -11.058 4.661 1.00 0.00 C ATOM 1431 O HIS A 89 102.467 -10.510 4.524 1.00 0.00 O ATOM 1432 CB HIS A 89 103.557 -12.521 6.702 1.00 0.00 C ATOM 1433 CG HIS A 89 102.911 -13.399 5.658 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.523 -13.681 4.445 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.702 -14.049 5.627 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.687 -14.468 3.742 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.563 -14.723 4.417 1.00 0.00 N ATOM 0 H HIS A 89 103.111 -9.522 6.575 1.00 0.00 H new ATOM 0 HA HIS A 89 105.234 -11.400 5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.338 -13.076 7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 89 102.820 -12.231 7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.970 -14.039 6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.899 -14.847 2.753 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.772 -15.290 4.111 1.00 0.00 H new ATOM 1445 N ILE A 90 104.280 -11.488 3.643 1.00 0.00 N ATOM 1446 CA ILE A 90 103.832 -11.344 2.264 1.00 0.00 C ATOM 1447 C ILE A 90 104.307 -12.532 1.435 1.00 0.00 C ATOM 1448 O ILE A 90 105.412 -13.042 1.621 1.00 0.00 O ATOM 1449 CB ILE A 90 104.352 -10.026 1.692 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.043 -9.951 0.191 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.861 -9.931 1.927 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.490 -8.594 -0.358 1.00 0.00 C ATOM 0 H ILE A 90 105.187 -11.943 3.744 1.00 0.00 H new ATOM 0 HA ILE A 90 102.743 -11.326 2.232 1.00 0.00 H new ATOM 0 HB ILE A 90 103.859 -9.192 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.556 -10.755 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.975 -10.089 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.234 -8.991 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.066 -9.969 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.359 -10.764 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.270 -8.542 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.957 -7.798 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.562 -8.474 -0.203 1.00 0.00 H new ATOM 1464 N ASP A 91 103.435 -12.983 0.536 1.00 0.00 N ATOM 1465 CA ASP A 91 103.732 -14.137 -0.309 1.00 0.00 C ATOM 1466 C ASP A 91 105.053 -13.972 -1.063 1.00 0.00 C ATOM 1467 O ASP A 91 105.401 -12.881 -1.516 1.00 0.00 O ATOM 1468 CB ASP A 91 102.584 -14.357 -1.306 1.00 0.00 C ATOM 1469 CG ASP A 91 101.994 -15.756 -1.139 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.355 -15.991 -0.127 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.193 -16.571 -2.025 1.00 0.00 O ATOM 0 H ASP A 91 102.518 -12.567 0.374 1.00 0.00 H new ATOM 0 HA ASP A 91 103.832 -15.007 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.809 -13.607 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.949 -14.229 -2.325 1.00 0.00 H new ATOM 1476 N LEU A 92 105.778 -15.079 -1.182 1.00 0.00 N ATOM 1477 CA LEU A 92 107.063 -15.074 -1.877 1.00 0.00 C ATOM 1478 C LEU A 92 106.893 -14.503 -3.284 1.00 0.00 C ATOM 1479 O LEU A 92 107.712 -13.711 -3.747 1.00 0.00 O ATOM 1480 CB LEU A 92 107.609 -16.505 -1.961 1.00 0.00 C ATOM 1481 CG LEU A 92 109.122 -16.477 -2.214 1.00 0.00 C ATOM 1482 CD1 LEU A 92 109.870 -16.331 -0.884 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.550 -17.784 -2.888 1.00 0.00 C ATOM 0 H LEU A 92 105.501 -15.987 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 92 107.766 -14.451 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.397 -17.039 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.108 -17.047 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 92 109.360 -15.631 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 92 110.944 -16.312 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.570 -15.403 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.629 -17.174 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.625 -17.765 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.305 -18.625 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.025 -17.893 -3.837 1.00 0.00 H new ATOM 1495 N ASP A 93 105.817 -14.906 -3.954 1.00 0.00 N ATOM 1496 CA ASP A 93 105.543 -14.424 -5.302 1.00 0.00 C ATOM 1497 C ASP A 93 105.189 -12.941 -5.263 1.00 0.00 C ATOM 1498 O ASP A 93 105.649 -12.159 -6.095 1.00 0.00 O ATOM 1499 CB ASP A 93 104.390 -15.218 -5.921 1.00 0.00 C ATOM 1500 CG ASP A 93 103.170 -15.170 -5.006 1.00 0.00 C ATOM 1501 OD1 ASP A 93 102.387 -14.245 -5.142 1.00 0.00 O ATOM 1502 OD2 ASP A 93 103.036 -16.061 -4.182 1.00 0.00 O ATOM 0 H ASP A 93 105.126 -15.561 -3.588 1.00 0.00 H new ATOM 0 HA ASP A 93 106.435 -14.562 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.138 -14.806 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.695 -16.252 -6.080 1.00 0.00 H new ATOM 1507 N SER A 94 104.377 -12.561 -4.283 1.00 0.00 N ATOM 1508 CA SER A 94 103.978 -11.167 -4.134 1.00 0.00 C ATOM 1509 C SER A 94 105.203 -10.300 -3.863 1.00 0.00 C ATOM 1510 O SER A 94 105.291 -9.164 -4.331 1.00 0.00 O ATOM 1511 CB SER A 94 102.985 -11.030 -2.979 1.00 0.00 C ATOM 1512 OG SER A 94 103.332 -11.947 -1.951 1.00 0.00 O ATOM 0 H SER A 94 103.985 -13.193 -3.585 1.00 0.00 H new ATOM 0 HA SER A 94 103.503 -10.836 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 94 102.997 -10.011 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 94 101.972 -11.226 -3.330 1.00 0.00 H new ATOM 0 HG SER A 94 104.304 -12.069 -1.936 1.00 0.00 H new ATOM 1518 N ILE A 95 106.148 -10.849 -3.108 1.00 0.00 N ATOM 1519 CA ILE A 95 107.371 -10.127 -2.782 1.00 0.00 C ATOM 1520 C ILE A 95 108.107 -9.743 -4.054 1.00 0.00 C ATOM 1521 O ILE A 95 108.704 -8.668 -4.138 1.00 0.00 O ATOM 1522 CB ILE A 95 108.288 -10.994 -1.906 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.765 -10.988 -0.469 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.713 -10.428 -1.928 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.500 -12.041 0.368 1.00 0.00 C ATOM 0 H ILE A 95 106.091 -11.787 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 95 107.100 -9.225 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 95 108.298 -12.013 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.904 -10.001 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.694 -11.192 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.360 -11.046 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.088 -10.427 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.705 -9.408 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.118 -12.026 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.338 -13.028 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.567 -11.819 0.377 1.00 0.00 H new ATOM 1537 N SER A 96 108.087 -10.636 -5.036 1.00 0.00 N ATOM 1538 CA SER A 96 108.786 -10.370 -6.282 1.00 0.00 C ATOM 1539 C SER A 96 108.087 -9.273 -7.074 1.00 0.00 C ATOM 1540 O SER A 96 108.747 -8.422 -7.667 1.00 0.00 O ATOM 1541 CB SER A 96 108.894 -11.639 -7.121 1.00 0.00 C ATOM 1542 OG SER A 96 110.224 -11.776 -7.605 1.00 0.00 O ATOM 0 H SER A 96 107.604 -11.533 -4.995 1.00 0.00 H new ATOM 0 HA SER A 96 109.792 -10.029 -6.036 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.622 -12.508 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.194 -11.596 -7.956 1.00 0.00 H new ATOM 0 HG SER A 96 110.294 -12.592 -8.143 1.00 0.00 H new ATOM 1548 N HIS A 97 106.761 -9.281 -7.086 1.00 0.00 N ATOM 1549 CA HIS A 97 106.045 -8.252 -7.823 1.00 0.00 C ATOM 1550 C HIS A 97 106.377 -6.889 -7.227 1.00 0.00 C ATOM 1551 O HIS A 97 106.501 -5.901 -7.948 1.00 0.00 O ATOM 1552 CB HIS A 97 104.539 -8.494 -7.782 1.00 0.00 C ATOM 1553 CG HIS A 97 104.154 -9.536 -8.790 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.908 -9.220 -10.116 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.948 -10.887 -8.680 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.568 -10.358 -10.746 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.578 -11.406 -9.917 1.00 0.00 N ATOM 0 H HIS A 97 106.175 -9.966 -6.609 1.00 0.00 H new ATOM 0 HA HIS A 97 106.357 -8.284 -8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.242 -8.816 -6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 97 104.008 -7.565 -7.988 1.00 0.00 H new ATOM 0 HD2 HIS A 97 104.056 -11.461 -7.772 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.317 -10.418 -11.795 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.361 -12.377 -10.142 1.00 0.00 H new ATOM 1565 N LEU A 98 106.555 -6.848 -5.914 1.00 0.00 N ATOM 1566 CA LEU A 98 106.919 -5.604 -5.249 1.00 0.00 C ATOM 1567 C LEU A 98 108.330 -5.205 -5.675 1.00 0.00 C ATOM 1568 O LEU A 98 108.615 -4.021 -5.862 1.00 0.00 O ATOM 1569 CB LEU A 98 106.836 -5.761 -3.723 1.00 0.00 C ATOM 1570 CG LEU A 98 105.505 -5.194 -3.209 1.00 0.00 C ATOM 1571 CD1 LEU A 98 105.394 -5.451 -1.705 1.00 0.00 C ATOM 1572 CD2 LEU A 98 105.444 -3.681 -3.479 1.00 0.00 C ATOM 0 H LEU A 98 106.455 -7.652 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 98 106.219 -4.820 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 98 106.921 -6.813 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.669 -5.241 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 98 104.679 -5.682 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 98 104.450 -5.050 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 98 105.431 -6.524 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 98 106.222 -4.963 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 98 104.497 -3.284 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 98 106.268 -3.186 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 98 105.523 -3.499 -4.551 1.00 0.00 H new ATOM 1584 N ARG A 99 109.201 -6.188 -5.863 1.00 0.00 N ATOM 1585 CA ARG A 99 110.560 -5.901 -6.311 1.00 0.00 C ATOM 1586 C ARG A 99 110.513 -5.348 -7.735 1.00 0.00 C ATOM 1587 O ARG A 99 111.196 -4.380 -8.064 1.00 0.00 O ATOM 1588 CB ARG A 99 111.415 -7.173 -6.260 1.00 0.00 C ATOM 1589 CG ARG A 99 112.009 -7.335 -4.853 1.00 0.00 C ATOM 1590 CD ARG A 99 112.306 -8.812 -4.579 1.00 0.00 C ATOM 1591 NE ARG A 99 113.290 -8.938 -3.507 1.00 0.00 N ATOM 1592 CZ ARG A 99 114.595 -8.954 -3.765 1.00 0.00 C ATOM 1593 NH1 ARG A 99 115.020 -8.857 -4.995 1.00 0.00 N ATOM 1594 NH2 ARG A 99 115.451 -9.068 -2.787 1.00 0.00 N ATOM 0 H ARG A 99 108.997 -7.176 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 99 111.011 -5.160 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.808 -8.042 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 99 112.214 -7.117 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.924 -6.749 -4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 99 111.312 -6.951 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 99 111.388 -9.330 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 99 112.681 -9.289 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 99 112.970 -9.015 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 99 114.351 -8.769 -5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 99 116.021 -8.869 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 99 115.119 -9.145 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 99 116.452 -9.080 -2.984 1.00 0.00 H new ATOM 1608 N ARG A 100 109.667 -5.959 -8.560 1.00 0.00 N ATOM 1609 CA ARG A 100 109.481 -5.521 -9.941 1.00 0.00 C ATOM 1610 C ARG A 100 109.087 -4.050 -9.973 1.00 0.00 C ATOM 1611 O ARG A 100 109.504 -3.296 -10.850 1.00 0.00 O ATOM 1612 CB ARG A 100 108.365 -6.347 -10.594 1.00 0.00 C ATOM 1613 CG ARG A 100 108.875 -7.758 -10.921 1.00 0.00 C ATOM 1614 CD ARG A 100 108.057 -8.345 -12.076 1.00 0.00 C ATOM 1615 NE ARG A 100 108.253 -9.788 -12.154 1.00 0.00 N ATOM 1616 CZ ARG A 100 107.527 -10.622 -11.416 1.00 0.00 C ATOM 1617 NH1 ARG A 100 106.622 -10.153 -10.601 1.00 0.00 N ATOM 1618 NH2 ARG A 100 107.719 -11.909 -11.507 1.00 0.00 N ATOM 0 H ARG A 100 109.097 -6.762 -8.295 1.00 0.00 H new ATOM 0 HA ARG A 100 110.416 -5.660 -10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 100 107.508 -6.408 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 100 108.023 -5.855 -11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.930 -7.721 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 100 108.794 -8.398 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 100 107.000 -8.122 -11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 100 108.356 -7.879 -13.015 1.00 0.00 H new ATOM 0 HE ARG A 100 108.960 -10.164 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 100 106.472 -9.147 -10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 100 106.065 -10.793 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 100 108.426 -12.275 -12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 100 107.162 -12.549 -10.941 1.00 0.00 H new ATOM 1632 N LEU A 101 108.268 -3.660 -9.003 1.00 0.00 N ATOM 1633 CA LEU A 101 107.800 -2.285 -8.909 1.00 0.00 C ATOM 1634 C LEU A 101 108.944 -1.356 -8.517 1.00 0.00 C ATOM 1635 O LEU A 101 109.103 -0.286 -9.097 1.00 0.00 O ATOM 1636 CB LEU A 101 106.665 -2.190 -7.879 1.00 0.00 C ATOM 1637 CG LEU A 101 105.298 -2.251 -8.580 1.00 0.00 C ATOM 1638 CD1 LEU A 101 105.288 -3.365 -9.637 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.207 -2.524 -7.537 1.00 0.00 C ATOM 0 H LEU A 101 107.915 -4.277 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 101 107.424 -1.976 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.749 -3.005 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.752 -1.260 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 101 105.109 -1.298 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 101 104.313 -3.395 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 101 106.060 -3.168 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.484 -4.324 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 101 103.236 -2.568 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 101 104.406 -3.474 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 101 104.203 -1.724 -6.797 1.00 0.00 H new ATOM 1651 N VAL A 102 109.740 -1.767 -7.535 1.00 0.00 N ATOM 1652 CA VAL A 102 110.861 -0.946 -7.092 1.00 0.00 C ATOM 1653 C VAL A 102 111.848 -0.739 -8.243 1.00 0.00 C ATOM 1654 O VAL A 102 112.347 0.366 -8.458 1.00 0.00 O ATOM 1655 CB VAL A 102 111.553 -1.612 -5.880 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.887 -2.254 -6.286 1.00 0.00 C ATOM 1657 CG2 VAL A 102 111.818 -0.563 -4.794 1.00 0.00 C ATOM 0 H VAL A 102 109.633 -2.651 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 102 110.492 0.032 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 102 110.890 -2.389 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 102 113.350 -2.714 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.708 -3.015 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 102 113.551 -1.489 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 102 112.306 -1.037 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 102 112.464 0.219 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 102 110.873 -0.124 -4.474 1.00 0.00 H new ATOM 1667 N GLU A 103 112.126 -1.815 -8.972 1.00 0.00 N ATOM 1668 CA GLU A 103 113.055 -1.757 -10.096 1.00 0.00 C ATOM 1669 C GLU A 103 112.510 -0.878 -11.224 1.00 0.00 C ATOM 1670 O GLU A 103 113.243 -0.076 -11.802 1.00 0.00 O ATOM 1671 CB GLU A 103 113.316 -3.177 -10.622 1.00 0.00 C ATOM 1672 CG GLU A 103 114.816 -3.487 -10.574 1.00 0.00 C ATOM 1673 CD GLU A 103 115.579 -2.506 -11.458 1.00 0.00 C ATOM 1674 OE1 GLU A 103 115.318 -2.487 -12.649 1.00 0.00 O ATOM 1675 OE2 GLU A 103 116.414 -1.789 -10.932 1.00 0.00 O ATOM 0 H GLU A 103 111.722 -2.737 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 103 113.988 -1.315 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 103 112.767 -3.903 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 103 112.950 -3.268 -11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 103 115.177 -3.421 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 103 114.996 -4.508 -10.910 1.00 0.00 H new ATOM 1682 N LEU A 104 111.231 -1.051 -11.545 1.00 0.00 N ATOM 1683 CA LEU A 104 110.613 -0.280 -12.623 1.00 0.00 C ATOM 1684 C LEU A 104 110.369 1.167 -12.204 1.00 0.00 C ATOM 1685 O LEU A 104 110.250 2.051 -13.052 1.00 0.00 O ATOM 1686 CB LEU A 104 109.285 -0.923 -13.033 1.00 0.00 C ATOM 1687 CG LEU A 104 109.541 -2.312 -13.634 1.00 0.00 C ATOM 1688 CD1 LEU A 104 108.259 -3.146 -13.560 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.966 -2.174 -15.100 1.00 0.00 C ATOM 0 H LEU A 104 110.607 -1.711 -11.081 1.00 0.00 H new ATOM 0 HA LEU A 104 111.300 -0.281 -13.469 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.629 -1.007 -12.167 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.774 -0.291 -13.760 1.00 0.00 H new ATOM 0 HG LEU A 104 110.334 -2.803 -13.070 1.00 0.00 H new ATOM 0 HD11 LEU A 104 108.441 -4.132 -13.987 1.00 0.00 H new ATOM 0 HD12 LEU A 104 107.953 -3.252 -12.519 1.00 0.00 H new ATOM 0 HD13 LEU A 104 107.468 -2.648 -14.121 1.00 0.00 H new ATOM 0 HD21 LEU A 104 110.146 -3.163 -15.521 1.00 0.00 H new ATOM 0 HD22 LEU A 104 109.175 -1.679 -15.663 1.00 0.00 H new ATOM 0 HD23 LEU A 104 110.879 -1.582 -15.160 1.00 0.00 H new ATOM 1701 N ASN A 105 110.288 1.408 -10.900 1.00 0.00 N ATOM 1702 CA ASN A 105 110.048 2.760 -10.404 1.00 0.00 C ATOM 1703 C ASN A 105 111.127 3.715 -10.910 1.00 0.00 C ATOM 1704 O ASN A 105 110.846 4.874 -11.218 1.00 0.00 O ATOM 1705 CB ASN A 105 110.038 2.762 -8.868 1.00 0.00 C ATOM 1706 CG ASN A 105 108.987 3.740 -8.350 1.00 0.00 C ATOM 1707 OD1 ASN A 105 109.284 4.582 -7.503 1.00 0.00 O ATOM 1708 ND2 ASN A 105 107.767 3.675 -8.809 1.00 0.00 N ATOM 0 H ASN A 105 110.383 0.697 -10.175 1.00 0.00 H new ATOM 0 HA ASN A 105 109.079 3.096 -10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 105 109.827 1.759 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 105 111.022 3.041 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 105 107.058 4.323 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 105 107.523 2.976 -9.511 1.00 0.00 H new ATOM 1715 N LEU A 106 112.357 3.222 -10.991 1.00 0.00 N ATOM 1716 CA LEU A 106 113.470 4.041 -11.459 1.00 0.00 C ATOM 1717 C LEU A 106 113.398 4.235 -12.971 1.00 0.00 C ATOM 1718 O LEU A 106 113.914 5.217 -13.505 1.00 0.00 O ATOM 1719 CB LEU A 106 114.797 3.375 -11.085 1.00 0.00 C ATOM 1720 CG LEU A 106 115.110 3.640 -9.609 1.00 0.00 C ATOM 1721 CD1 LEU A 106 113.895 3.284 -8.750 1.00 0.00 C ATOM 1722 CD2 LEU A 106 116.301 2.780 -9.181 1.00 0.00 C ATOM 0 H LEU A 106 112.609 2.266 -10.741 1.00 0.00 H new ATOM 0 HA LEU A 106 113.406 5.018 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 106 114.741 2.302 -11.268 1.00 0.00 H new ATOM 0 HB3 LEU A 106 115.599 3.763 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 106 115.350 4.695 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.123 3.474 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.044 3.894 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 106 113.652 2.230 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 106 116.526 2.967 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 106 116.057 1.727 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 106 117.170 3.033 -9.789 1.00 0.00 H new ATOM 1734 N GLY A 107 112.751 3.297 -13.656 1.00 0.00 N ATOM 1735 CA GLY A 107 112.614 3.380 -15.107 1.00 0.00 C ATOM 1736 C GLY A 107 113.663 2.524 -15.809 1.00 0.00 C ATOM 1737 O GLY A 107 113.396 1.383 -16.188 1.00 0.00 O ATOM 0 H GLY A 107 112.316 2.476 -13.234 1.00 0.00 H new ATOM 0 HA2 GLY A 107 111.617 3.052 -15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 107 112.714 4.417 -15.426 1.00 0.00 H new ATOM 1741 N ASP A 108 114.858 3.083 -15.983 1.00 0.00 N ATOM 1742 CA ASP A 108 115.941 2.363 -16.646 1.00 0.00 C ATOM 1743 C ASP A 108 117.270 2.626 -15.936 1.00 0.00 C ATOM 1744 O ASP A 108 117.761 1.777 -15.193 1.00 0.00 O ATOM 1745 CB ASP A 108 116.028 2.796 -18.117 1.00 0.00 C ATOM 1746 CG ASP A 108 116.084 1.572 -19.029 1.00 0.00 C ATOM 1747 OD1 ASP A 108 116.789 0.637 -18.689 1.00 0.00 O ATOM 1748 OD2 ASP A 108 115.420 1.590 -20.051 1.00 0.00 O ATOM 0 H ASP A 108 115.100 4.025 -15.677 1.00 0.00 H new ATOM 0 HA ASP A 108 115.734 1.294 -16.602 1.00 0.00 H new ATOM 0 HB2 ASP A 108 115.165 3.410 -18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 108 116.914 3.412 -18.270 1.00 0.00 H new ATOM 1753 N GLU A 109 117.845 3.806 -16.167 1.00 0.00 N ATOM 1754 CA GLU A 109 119.116 4.165 -15.540 1.00 0.00 C ATOM 1755 C GLU A 109 119.633 5.491 -16.099 1.00 0.00 C ATOM 1756 O GLU A 109 120.817 5.804 -15.976 1.00 0.00 O ATOM 1757 CB GLU A 109 120.157 3.056 -15.784 1.00 0.00 C ATOM 1758 CG GLU A 109 120.554 2.409 -14.452 1.00 0.00 C ATOM 1759 CD GLU A 109 121.355 3.398 -13.611 1.00 0.00 C ATOM 1760 OE1 GLU A 109 122.349 3.899 -14.110 1.00 0.00 O ATOM 1761 OE2 GLU A 109 120.963 3.640 -12.482 1.00 0.00 O ATOM 0 H GLU A 109 117.455 4.524 -16.778 1.00 0.00 H new ATOM 0 HA GLU A 109 118.953 4.276 -14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 109 119.747 2.302 -16.456 1.00 0.00 H new ATOM 0 HB3 GLU A 109 121.038 3.473 -16.272 1.00 0.00 H new ATOM 0 HG2 GLU A 109 119.662 2.097 -13.910 1.00 0.00 H new ATOM 0 HG3 GLU A 109 121.146 1.512 -14.636 1.00 0.00 H new ATOM 1768 N GLU A 110 118.739 6.263 -16.711 1.00 0.00 N ATOM 1769 CA GLU A 110 119.117 7.554 -17.286 1.00 0.00 C ATOM 1770 C GLU A 110 118.486 8.697 -16.503 1.00 0.00 C ATOM 1771 O GLU A 110 118.693 9.869 -16.821 1.00 0.00 O ATOM 1772 CB GLU A 110 118.665 7.624 -18.744 1.00 0.00 C ATOM 1773 CG GLU A 110 119.470 6.623 -19.572 1.00 0.00 C ATOM 1774 CD GLU A 110 118.855 6.483 -20.959 1.00 0.00 C ATOM 1775 OE1 GLU A 110 118.064 7.338 -21.323 1.00 0.00 O ATOM 1776 OE2 GLU A 110 119.183 5.524 -21.637 1.00 0.00 O ATOM 0 H GLU A 110 117.754 6.021 -16.822 1.00 0.00 H new ATOM 0 HA GLU A 110 120.201 7.650 -17.234 1.00 0.00 H new ATOM 0 HB2 GLU A 110 117.601 7.401 -18.818 1.00 0.00 H new ATOM 0 HB3 GLU A 110 118.807 8.632 -19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 110 120.505 6.956 -19.655 1.00 0.00 H new ATOM 0 HG3 GLU A 110 119.486 5.654 -19.072 1.00 0.00 H new ATOM 1783 N LEU A 111 117.715 8.353 -15.478 1.00 0.00 N ATOM 1784 CA LEU A 111 117.058 9.361 -14.655 1.00 0.00 C ATOM 1785 C LEU A 111 117.004 8.905 -13.200 1.00 0.00 C ATOM 1786 O LEU A 111 116.255 7.992 -12.850 1.00 0.00 O ATOM 1787 CB LEU A 111 115.638 9.617 -15.184 1.00 0.00 C ATOM 1788 CG LEU A 111 115.280 11.102 -15.041 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.407 11.519 -13.570 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.220 11.953 -15.916 1.00 0.00 C ATOM 0 H LEU A 111 117.530 7.390 -15.198 1.00 0.00 H new ATOM 0 HA LEU A 111 117.630 10.287 -14.705 1.00 0.00 H new ATOM 0 HB2 LEU A 111 115.572 9.319 -16.230 1.00 0.00 H new ATOM 0 HB3 LEU A 111 114.921 9.008 -14.633 1.00 0.00 H new ATOM 0 HG LEU A 111 114.253 11.261 -15.371 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.153 12.574 -13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 111 114.727 10.921 -12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 111 116.431 11.358 -13.233 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.961 13.006 -15.810 1.00 0.00 H new ATOM 0 HD22 LEU A 111 117.251 11.799 -15.598 1.00 0.00 H new ATOM 0 HD23 LEU A 111 116.114 11.656 -16.959 1.00 0.00 H new ATOM 1802 N LEU A 112 117.810 9.546 -12.361 1.00 0.00 N ATOM 1803 CA LEU A 112 117.858 9.201 -10.945 1.00 0.00 C ATOM 1804 C LEU A 112 116.645 9.773 -10.218 1.00 0.00 C ATOM 1805 O LEU A 112 116.095 10.799 -10.620 1.00 0.00 O ATOM 1806 CB LEU A 112 119.146 9.748 -10.318 1.00 0.00 C ATOM 1807 CG LEU A 112 120.347 8.885 -10.737 1.00 0.00 C ATOM 1808 CD1 LEU A 112 120.294 7.524 -10.031 1.00 0.00 C ATOM 1809 CD2 LEU A 112 120.327 8.672 -12.255 1.00 0.00 C ATOM 0 H LEU A 112 118.436 10.303 -12.635 1.00 0.00 H new ATOM 0 HA LEU A 112 117.845 8.115 -10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 112 119.303 10.780 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 112 119.056 9.756 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 112 121.265 9.399 -10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 112 121.150 6.922 -10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 112 120.321 7.673 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 112 119.373 7.009 -10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 112 121.180 8.060 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 112 119.404 8.168 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 112 120.383 9.637 -12.759 1.00 0.00 H new ATOM 1821 N GLU A 113 116.227 9.100 -9.150 1.00 0.00 N ATOM 1822 CA GLU A 113 115.072 9.547 -8.377 1.00 0.00 C ATOM 1823 C GLU A 113 115.501 10.490 -7.256 1.00 0.00 C ATOM 1824 O GLU A 113 115.223 11.687 -7.299 1.00 0.00 O ATOM 1825 CB GLU A 113 114.348 8.339 -7.780 1.00 0.00 C ATOM 1826 CG GLU A 113 112.978 8.769 -7.254 1.00 0.00 C ATOM 1827 CD GLU A 113 112.376 7.654 -6.406 1.00 0.00 C ATOM 1828 OE1 GLU A 113 111.837 6.723 -6.982 1.00 0.00 O ATOM 1829 OE2 GLU A 113 112.465 7.744 -5.193 1.00 0.00 O ATOM 0 H GLU A 113 116.667 8.248 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 113 114.399 10.084 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 113 114.231 7.563 -8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 113 114.941 7.910 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 113 113.075 9.678 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 113 112.315 9.002 -8.087 1.00 0.00 H new ATOM 1836 N ARG A 114 116.177 9.935 -6.253 1.00 0.00 N ATOM 1837 CA ARG A 114 116.641 10.729 -5.117 1.00 0.00 C ATOM 1838 C ARG A 114 117.111 12.110 -5.566 1.00 0.00 C ATOM 1839 O ARG A 114 117.747 12.251 -6.611 1.00 0.00 O ATOM 1840 CB ARG A 114 117.794 10.010 -4.417 1.00 0.00 C ATOM 1841 CG ARG A 114 117.274 8.747 -3.729 1.00 0.00 C ATOM 1842 CD ARG A 114 118.386 8.139 -2.871 1.00 0.00 C ATOM 1843 NE ARG A 114 118.105 6.734 -2.604 1.00 0.00 N ATOM 1844 CZ ARG A 114 119.065 5.906 -2.210 1.00 0.00 C ATOM 1845 NH1 ARG A 114 120.283 6.347 -2.054 1.00 0.00 N ATOM 1846 NH2 ARG A 114 118.790 4.651 -1.981 1.00 0.00 N ATOM 0 H ARG A 114 116.415 8.944 -6.203 1.00 0.00 H new ATOM 0 HA ARG A 114 115.805 10.851 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 114 118.566 9.749 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 114 118.256 10.671 -3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 114 116.411 8.987 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 114 116.939 8.025 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 114 119.344 8.235 -3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 114 118.470 8.685 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 114 117.155 6.381 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 114 120.497 7.328 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 114 121.021 5.711 -1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 114 117.838 4.307 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 114 119.527 4.014 -1.678 1.00 0.00 H new ATOM 1860 N GLU A 115 116.803 13.123 -4.759 1.00 0.00 N ATOM 1861 CA GLU A 115 117.207 14.492 -5.067 1.00 0.00 C ATOM 1862 C GLU A 115 118.146 15.013 -3.982 1.00 0.00 C ATOM 1863 O GLU A 115 118.082 14.580 -2.833 1.00 0.00 O ATOM 1864 CB GLU A 115 115.975 15.396 -5.165 1.00 0.00 C ATOM 1865 CG GLU A 115 116.310 16.638 -5.996 1.00 0.00 C ATOM 1866 CD GLU A 115 115.073 17.517 -6.141 1.00 0.00 C ATOM 1867 OE1 GLU A 115 113.982 16.972 -6.166 1.00 0.00 O ATOM 1868 OE2 GLU A 115 115.234 18.724 -6.223 1.00 0.00 O ATOM 0 H GLU A 115 116.277 13.022 -3.891 1.00 0.00 H new ATOM 0 HA GLU A 115 117.727 14.499 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 115 115.149 14.852 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 115 115.648 15.691 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 115 117.112 17.200 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 115 116.672 16.341 -6.980 1.00 0.00 H new ATOM 1875 N LEU A 116 119.029 15.926 -4.354 1.00 0.00 N ATOM 1876 CA LEU A 116 119.983 16.477 -3.400 1.00 0.00 C ATOM 1877 C LEU A 116 119.274 17.326 -2.338 1.00 0.00 C ATOM 1878 O LEU A 116 119.693 17.363 -1.183 1.00 0.00 O ATOM 1879 CB LEU A 116 121.048 17.306 -4.134 1.00 0.00 C ATOM 1880 CG LEU A 116 122.425 17.132 -3.472 1.00 0.00 C ATOM 1881 CD1 LEU A 116 122.333 17.473 -1.982 1.00 0.00 C ATOM 1882 CD2 LEU A 116 122.916 15.685 -3.645 1.00 0.00 C ATOM 0 H LEU A 116 119.107 16.299 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 116 120.474 15.648 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 116 121.100 16.998 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 116 120.766 18.359 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 116 123.134 17.807 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.312 17.348 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.006 18.506 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 116 121.616 16.808 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 116 123.892 15.573 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 116 122.206 15.002 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 116 122.998 15.453 -4.707 1.00 0.00 H new ATOM 1894 N ALA A 117 118.209 18.020 -2.735 1.00 0.00 N ATOM 1895 CA ALA A 117 117.484 18.866 -1.783 1.00 0.00 C ATOM 1896 C ALA A 117 116.772 17.998 -0.738 1.00 0.00 C ATOM 1897 O ALA A 117 116.516 18.428 0.385 1.00 0.00 O ATOM 1898 CB ALA A 117 116.501 19.796 -2.495 1.00 0.00 C ATOM 0 H ALA A 117 117.834 18.017 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 117 118.208 19.499 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 117 115.981 20.409 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 117 117.045 20.441 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 117 115.775 19.202 -3.050 1.00 0.00 H new ATOM 1904 N LEU A 118 116.493 16.758 -1.128 1.00 0.00 N ATOM 1905 CA LEU A 118 115.848 15.786 -0.238 1.00 0.00 C ATOM 1906 C LEU A 118 116.764 15.482 0.944 1.00 0.00 C ATOM 1907 O LEU A 118 116.306 15.166 2.042 1.00 0.00 O ATOM 1908 CB LEU A 118 115.510 14.494 -0.992 1.00 0.00 C ATOM 1909 CG LEU A 118 114.210 14.684 -1.786 1.00 0.00 C ATOM 1910 CD1 LEU A 118 114.012 13.503 -2.749 1.00 0.00 C ATOM 1911 CD2 LEU A 118 113.016 14.777 -0.818 1.00 0.00 C ATOM 0 H LEU A 118 116.703 16.397 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 118 114.917 16.217 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 118 116.325 14.232 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 118 115.401 13.669 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 118 114.274 15.607 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 118 113.088 13.642 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 118 114.853 13.453 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 118 113.954 12.575 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 118 112.096 14.912 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 118 112.950 13.860 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 118 113.156 15.625 -0.148 1.00 0.00 H new ATOM 1923 N LEU A 119 118.063 15.559 0.690 1.00 0.00 N ATOM 1924 CA LEU A 119 119.051 15.268 1.725 1.00 0.00 C ATOM 1925 C LEU A 119 118.784 16.156 2.941 1.00 0.00 C ATOM 1926 O LEU A 119 119.316 15.924 4.026 1.00 0.00 O ATOM 1927 CB LEU A 119 120.475 15.487 1.189 1.00 0.00 C ATOM 1928 CG LEU A 119 121.318 14.223 1.414 1.00 0.00 C ATOM 1929 CD1 LEU A 119 122.540 14.252 0.496 1.00 0.00 C ATOM 1930 CD2 LEU A 119 121.778 14.166 2.873 1.00 0.00 C ATOM 0 H LEU A 119 118.457 15.818 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 119 118.966 14.223 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 119 120.440 15.727 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 119 120.936 16.337 1.693 1.00 0.00 H new ATOM 0 HG LEU A 119 120.715 13.343 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 119 123.137 13.354 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 119 122.214 14.289 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 119 123.142 15.133 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 119 122.376 13.269 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 119 122.379 15.047 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 119 120.907 14.142 3.528 1.00 0.00 H new ATOM 1942 N VAL A 120 117.895 17.126 2.757 1.00 0.00 N ATOM 1943 CA VAL A 120 117.463 18.014 3.833 1.00 0.00 C ATOM 1944 C VAL A 120 116.838 17.205 4.971 1.00 0.00 C ATOM 1945 O VAL A 120 116.419 17.763 5.984 1.00 0.00 O ATOM 1946 CB VAL A 120 116.394 18.958 3.259 1.00 0.00 C ATOM 1947 CG1 VAL A 120 115.630 19.654 4.393 1.00 0.00 C ATOM 1948 CG2 VAL A 120 117.075 20.017 2.384 1.00 0.00 C ATOM 0 H VAL A 120 117.453 17.320 1.858 1.00 0.00 H new ATOM 0 HA VAL A 120 118.318 18.567 4.221 1.00 0.00 H new ATOM 0 HB VAL A 120 115.690 18.376 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 120 114.877 20.319 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 120 115.143 18.905 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 120 116.327 20.234 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 120 116.322 20.690 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 120 117.781 20.588 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 120 117.607 19.528 1.568 1.00 0.00 H new ATOM 1958 N SER A 121 116.762 15.888 4.796 1.00 0.00 N ATOM 1959 CA SER A 121 116.162 15.030 5.811 1.00 0.00 C ATOM 1960 C SER A 121 117.205 14.490 6.791 1.00 0.00 C ATOM 1961 O SER A 121 116.851 14.010 7.867 1.00 0.00 O ATOM 1962 CB SER A 121 115.439 13.863 5.132 1.00 0.00 C ATOM 1963 OG SER A 121 116.039 13.612 3.869 1.00 0.00 O ATOM 0 H SER A 121 117.105 15.397 3.970 1.00 0.00 H new ATOM 0 HA SER A 121 115.453 15.631 6.380 1.00 0.00 H new ATOM 0 HB2 SER A 121 115.494 12.972 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 121 114.382 14.099 5.005 1.00 0.00 H new ATOM 0 HG SER A 121 115.609 14.169 3.186 1.00 0.00 H new ATOM 1969 N ALA A 122 118.482 14.560 6.426 1.00 0.00 N ATOM 1970 CA ALA A 122 119.548 14.064 7.294 1.00 0.00 C ATOM 1971 C ALA A 122 120.174 15.203 8.088 1.00 0.00 C ATOM 1972 O ALA A 122 120.907 14.978 9.052 1.00 0.00 O ATOM 1973 CB ALA A 122 120.634 13.422 6.429 1.00 0.00 C ATOM 0 H ALA A 122 118.804 14.953 5.541 1.00 0.00 H new ATOM 0 HA ALA A 122 119.122 13.339 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 122 121.434 13.049 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 122 120.206 12.595 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 122 121.036 14.164 5.740 1.00 0.00 H new ATOM 1979 N HIS A 123 119.899 16.426 7.653 1.00 0.00 N ATOM 1980 CA HIS A 123 120.449 17.613 8.291 1.00 0.00 C ATOM 1981 C HIS A 123 119.958 18.860 7.564 1.00 0.00 C ATOM 1982 O HIS A 123 119.188 18.765 6.608 1.00 0.00 O ATOM 1983 CB HIS A 123 121.995 17.549 8.255 1.00 0.00 C ATOM 1984 CG HIS A 123 122.560 18.474 7.205 1.00 0.00 C ATOM 1985 ND1 HIS A 123 122.118 18.835 5.956 1.00 0.00 N flip ATOM 1986 CD2 HIS A 123 123.757 19.150 7.387 1.00 0.00 C flip ATOM 1987 CE1 HIS A 123 123.023 19.716 5.372 1.00 0.00 C flip ATOM 1988 NE2 HIS A 123 123.992 19.873 6.277 1.00 0.00 N flip ATOM 0 H HIS A 123 119.294 16.621 6.855 1.00 0.00 H new ATOM 0 HA HIS A 123 120.118 17.656 9.329 1.00 0.00 H new ATOM 0 HB2 HIS A 123 122.395 17.819 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 123 122.314 16.527 8.051 1.00 0.00 H new ATOM 0 HD2 HIS A 123 124.387 19.104 8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 123 122.956 20.174 4.396 1.00 0.00 H new ATOM 0 HE2 HIS A 123 124.810 20.468 6.143 1.00 0.00 H new ATOM 1996 N ASP A 124 120.417 20.019 8.008 1.00 0.00 N ATOM 1997 CA ASP A 124 120.035 21.277 7.380 1.00 0.00 C ATOM 1998 C ASP A 124 120.806 22.416 8.026 1.00 0.00 C ATOM 1999 O ASP A 124 121.380 23.265 7.344 1.00 0.00 O ATOM 2000 CB ASP A 124 118.530 21.516 7.532 1.00 0.00 C ATOM 2001 CG ASP A 124 118.083 22.638 6.601 1.00 0.00 C ATOM 2002 OD1 ASP A 124 118.759 23.653 6.559 1.00 0.00 O ATOM 2003 OD2 ASP A 124 117.070 22.465 5.942 1.00 0.00 O ATOM 0 H ASP A 124 121.053 20.117 8.799 1.00 0.00 H new ATOM 0 HA ASP A 124 120.272 21.230 6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 124 117.983 20.602 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 124 118.297 21.775 8.565 1.00 0.00 H new ATOM 2008 N ASP A 125 120.813 22.420 9.349 1.00 0.00 N ATOM 2009 CA ASP A 125 121.514 23.454 10.103 1.00 0.00 C ATOM 2010 C ASP A 125 121.239 24.832 9.504 1.00 0.00 C ATOM 2011 O ASP A 125 122.083 25.315 8.768 1.00 0.00 O ATOM 2012 CB ASP A 125 123.021 23.175 10.090 1.00 0.00 C ATOM 2013 CG ASP A 125 123.384 22.201 11.206 1.00 0.00 C ATOM 2014 OD1 ASP A 125 122.555 21.368 11.532 1.00 0.00 O ATOM 2015 OD2 ASP A 125 124.486 22.302 11.721 1.00 0.00 O ATOM 2016 OXT ASP A 125 120.190 25.382 9.794 1.00 0.00 O ATOM 0 H ASP A 125 120.343 21.722 9.925 1.00 0.00 H new ATOM 0 HA ASP A 125 121.152 23.441 11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 125 123.313 22.760 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 125 123.572 24.107 10.217 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.338 3.329 12.326 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.137 2.303 13.373 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.178 4.093 11.812 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.085 2.636 11.077 1.00 0.00 O HETATM 2026 C5' C2E A 501 106.595 1.304 11.186 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.891 0.691 9.817 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.671 0.242 9.209 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.529 1.652 8.825 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.956 1.616 8.934 1.00 0.00 O HETATM 2031 C2' C2E A 501 107.091 1.071 7.495 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.928 -0.022 7.096 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.679 0.608 7.819 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.665 1.658 7.623 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.902 2.309 8.549 1.00 0.00 C HETATM 2036 N7 C2E A 501 103.112 3.220 8.066 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.370 3.174 6.698 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.811 3.939 5.640 1.00 0.00 C HETATM 2039 O6 C2E A 501 101.959 4.819 5.706 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.349 3.578 4.411 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.301 2.600 4.221 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.681 2.381 2.962 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.828 1.881 5.214 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.318 2.219 6.419 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.687 2.031 10.307 1.00 0.00 P HETATM 2046 O21 C2E A 501 109.700 0.851 11.200 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.954 2.717 9.969 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.675 3.119 10.924 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.865 4.514 10.671 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.405 5.359 11.854 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.870 6.710 11.715 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.895 5.443 12.017 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.435 4.381 12.859 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.729 6.773 12.717 1.00 0.00 C HETATM 2055 O2A C2E A 501 106.991 6.656 14.122 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.792 7.610 12.023 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.363 8.217 10.748 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.765 7.905 9.480 1.00 0.00 C HETATM 2059 N71 C2E A 501 107.234 8.627 8.541 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.397 9.495 9.236 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.544 10.520 8.744 1.00 0.00 C HETATM 2062 O61 C2E A 501 105.360 10.864 7.579 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.869 11.161 9.773 1.00 0.00 N HETATM 2064 C21 C2E A 501 104.996 10.854 11.114 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.269 11.586 11.959 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.799 9.889 11.582 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.467 9.254 10.591 1.00 0.00 C HETATM 0 HO2A C2E A 501 106.808 5.738 14.414 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.799 0.055 7.538 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.662 12.324 11.602 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.319 11.407 12.962 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.383 1.670 2.757 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.270 2.925 2.203 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.231 11.916 9.520 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.918 4.709 10.470 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.311 4.803 9.778 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 107.506 1.312 11.784 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.873 0.681 11.714 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.014 4.075 3.586 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.479 7.108 9.272 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.952 2.081 9.614 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.823 4.855 12.726 1.00 0.00 H new HETATM 0 H4' C2E A 501 107.593 -0.118 10.020 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.339 5.362 11.083 1.00 0.00 H new HETATM 0 H3' C2E A 501 107.240 2.692 8.974 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.724 7.189 12.656 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.148 1.772 6.662 1.00 0.00 H new HETATM 0 H1A C2E A 501 108.050 8.432 12.691 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.426 -0.214 7.150 1.00 0.00 H new HETATM 2090 P1 C2E A 502 102.843 13.667 3.586 1.00 0.00 P HETATM 2091 O2P C2E A 502 102.158 14.133 2.359 1.00 0.00 O HETATM 2092 O1P C2E A 502 104.019 12.774 3.482 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.751 12.955 4.530 1.00 0.00 O HETATM 2094 C5' C2E A 502 102.111 11.871 5.395 1.00 0.00 C HETATM 2095 C4' C2E A 502 101.134 11.764 6.567 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.776 10.397 6.765 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.651 12.324 7.893 1.00 0.00 C HETATM 2098 O3' C2E A 502 100.879 13.478 8.239 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.391 11.232 8.925 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.285 11.565 9.770 1.00 0.00 O HETATM 2101 C1' C2E A 502 101.101 9.994 8.094 1.00 0.00 C HETATM 2102 N9 C2E A 502 102.233 9.054 8.025 1.00 0.00 N HETATM 2103 C8 C2E A 502 103.041 8.726 6.970 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.948 7.832 7.235 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.722 7.529 8.574 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.390 6.610 9.426 1.00 0.00 C HETATM 2107 O6 C2E A 502 105.338 5.875 9.161 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.839 6.608 10.701 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.785 7.393 11.110 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.398 7.242 12.376 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.156 8.259 10.314 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.675 8.274 9.064 1.00 0.00 C HETATM 2113 P11 C2E A 502 101.612 14.823 8.734 1.00 0.00 P HETATM 2114 O21 C2E A 502 100.574 15.827 9.058 1.00 0.00 O HETATM 2115 O11 C2E A 502 102.621 14.448 9.751 1.00 0.00 O HETATM 2116 O5A C2E A 502 102.390 15.308 7.408 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.515 16.187 7.506 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.388 16.135 6.249 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.767 16.259 6.617 1.00 0.00 O HETATM 2120 C3A C2E A 502 104.266 14.837 5.464 1.00 0.00 C HETATM 2121 O3A C2E A 502 103.265 14.958 4.452 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.630 14.708 4.814 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.696 15.437 3.582 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.546 15.309 5.868 1.00 0.00 C HETATM 2125 N91 C2E A 502 107.062 14.296 6.792 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.703 14.030 8.083 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.245 12.971 8.596 1.00 0.00 N HETATM 2128 C51 C2E A 502 108.042 12.496 7.563 1.00 0.00 C HETATM 2129 C61 C2E A 502 108.883 11.365 7.524 1.00 0.00 C HETATM 2130 O61 C2E A 502 109.055 10.524 8.397 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.525 11.249 6.295 1.00 0.00 N HETATM 2132 C21 C2E A 502 109.363 12.109 5.233 1.00 0.00 C HETATM 2133 N21 C2E A 502 110.064 11.829 4.134 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.563 13.173 5.265 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.939 13.304 6.458 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.793 15.704 3.311 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.142 10.846 10.420 1.00 0.00 H new HETATM 0 HN24 C2E A 502 110.678 11.014 4.114 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.987 12.429 3.313 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.622 7.794 12.742 1.00 0.00 H new HETATM 0 HN21 C2E A 502 102.877 6.574 12.980 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.166 10.465 6.172 1.00 0.00 H new HETATM 0 H512 C2E A 502 103.166 17.207 7.664 1.00 0.00 H new HETATM 0 H511 C2E A 502 104.113 15.916 8.376 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 102.115 10.937 4.833 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 103.123 12.021 5.772 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.248 5.975 11.388 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.012 14.662 8.640 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.933 9.179 5.984 1.00 0.00 H new HETATM 0 H4A C2E A 502 104.039 16.954 5.621 1.00 0.00 H new HETATM 0 H4' C2E A 502 100.279 12.379 6.285 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.987 13.985 6.085 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.704 12.601 7.841 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.890 13.685 4.543 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.235 11.090 9.599 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.401 15.770 5.373 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.275 9.475 8.581 1.00 0.00 H new