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 39 HIS : no HE2:sc= -4.76! C(o=-4.5!,f=-10!) USER MOD Set 1.2: A 501 C2E O2' : rot -134:sc= 0.294 USER MOD Set 2.1: A 71 MET CE :methyl 163:sc= -0.325 (180deg=-1.46!) USER MOD Set 2.2: A 87 CYS SG : rot 11:sc= 0.083 USER MOD Set 3.1: A 1 MET N :NH3+ -151:sc= -4.39! (180deg=-1.68!) USER MOD Set 3.2: A 5 HIS : no HE2:sc= -6.44! C(o=-11!,f=-25!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 102:sc= 0.123 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.632 F(o=-2!,f=-0.63) USER MOD Single : A 12 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-7!) USER MOD Single : A 20 SER OG : rot 22:sc= 0.245 USER MOD Single : A 24 GLN : amide:sc= -2.7! C(o=-2.7!,f=-2.8!) USER MOD Single : A 34 HIS : no HE2:sc= -0.28 K(o=-0.28,f=-2) USER MOD Single : A 37 SER OG : rot -107:sc= -2.56! USER MOD Single : A 45 GLN :FLIP amide:sc= -2.44! C(o=-3.5!,f=-2.4!) USER MOD Single : A 47 GLN : amide:sc= -0.407! C(o=-0.41!,f=-8.2!) USER MOD Single : A 50 ASN : amide:sc= -0.736! K(o=-0.74!,f=-1.9) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot -140:sc= -2.3! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.238! K(o=0.24!,f=-2.4) USER MOD Single : A 89 HIS : no HD1:sc= -5.86! C(o=-5.9!,f=-8!) USER MOD Single : A 94 SER OG : rot 116:sc= 0.559 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.027) USER MOD Single : A 105 ASN :FLIP amide:sc= -2.35 F(o=-4.1!,f=-2.3) USER MOD Single : A 121 SER OG : rot -150:sc= -0.0053 USER MOD Single : A 123 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 501 C2E O2A : rot -28:sc= 0.202 USER MOD Single : A 502 C2E O2' : rot -99:sc= -1.89! USER MOD Single : A 502 C2E O2A : rot -22:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 101.821 21.499 6.748 1.00 0.00 N ATOM 2 CA MET A 1 101.732 22.861 7.347 1.00 0.00 C ATOM 3 C MET A 1 102.301 22.838 8.762 1.00 0.00 C ATOM 4 O MET A 1 101.726 22.216 9.653 1.00 0.00 O ATOM 5 CB MET A 1 100.266 23.311 7.377 1.00 0.00 C ATOM 6 CG MET A 1 99.398 22.239 8.046 1.00 0.00 C ATOM 7 SD MET A 1 97.668 22.489 7.576 1.00 0.00 S ATOM 8 CE MET A 1 97.134 20.767 7.747 1.00 0.00 C ATOM 0 H1 MET A 1 101.915 21.579 5.715 1.00 0.00 H new ATOM 0 H2 MET A 1 102.650 21.004 7.133 1.00 0.00 H new ATOM 0 H3 MET A 1 100.960 20.962 6.977 1.00 0.00 H new ATOM 0 HA MET A 1 102.309 23.563 6.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 100.178 24.252 7.920 1.00 0.00 H new ATOM 0 HB3 MET A 1 99.913 23.494 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 99.729 21.246 7.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.504 22.293 9.129 1.00 0.00 H new ATOM 0 HE1 MET A 1 96.075 20.688 7.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.712 20.138 7.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 97.293 20.437 8.774 1.00 0.00 H new ATOM 18 N SER A 2 103.436 23.522 8.945 1.00 0.00 N ATOM 19 CA SER A 2 104.120 23.607 10.246 1.00 0.00 C ATOM 20 C SER A 2 105.454 22.867 10.203 1.00 0.00 C ATOM 21 O SER A 2 105.936 22.492 9.133 1.00 0.00 O ATOM 22 CB SER A 2 103.264 23.036 11.380 1.00 0.00 C ATOM 23 OG SER A 2 101.978 23.645 11.358 1.00 0.00 O ATOM 0 H SER A 2 103.908 24.032 8.198 1.00 0.00 H new ATOM 0 HA SER A 2 104.293 24.665 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 103.168 21.956 11.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 103.747 23.216 12.340 1.00 0.00 H new ATOM 0 HG SER A 2 101.332 23.031 10.951 1.00 0.00 H new ATOM 29 N ASP A 3 106.032 22.639 11.382 1.00 0.00 N ATOM 30 CA ASP A 3 107.301 21.916 11.479 1.00 0.00 C ATOM 31 C ASP A 3 107.048 20.460 11.859 1.00 0.00 C ATOM 32 O ASP A 3 107.782 19.876 12.656 1.00 0.00 O ATOM 33 CB ASP A 3 108.221 22.578 12.508 1.00 0.00 C ATOM 34 CG ASP A 3 107.636 22.428 13.908 1.00 0.00 C ATOM 35 OD1 ASP A 3 106.528 22.893 14.118 1.00 0.00 O ATOM 36 OD2 ASP A 3 108.304 21.851 14.750 1.00 0.00 O ATOM 0 H ASP A 3 105.646 22.941 12.277 1.00 0.00 H new ATOM 0 HA ASP A 3 107.792 21.948 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 3 109.211 22.123 12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 3 108.346 23.634 12.269 1.00 0.00 H new ATOM 41 N GLN A 4 106.026 19.873 11.243 1.00 0.00 N ATOM 42 CA GLN A 4 105.701 18.465 11.479 1.00 0.00 C ATOM 43 C GLN A 4 105.900 17.656 10.201 1.00 0.00 C ATOM 44 O GLN A 4 105.444 16.518 10.097 1.00 0.00 O ATOM 45 CB GLN A 4 104.275 18.311 12.016 1.00 0.00 C ATOM 46 CG GLN A 4 104.148 17.006 12.802 1.00 0.00 C ATOM 47 CD GLN A 4 104.916 17.117 14.110 1.00 0.00 C ATOM 48 OE1 GLN A 4 106.179 16.803 14.137 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 104.352 17.502 15.134 1.00 0.00 N flip ATOM 0 H GLN A 4 105.411 20.345 10.580 1.00 0.00 H new ATOM 0 HA GLN A 4 106.379 18.077 12.239 1.00 0.00 H new ATOM 0 HB2 GLN A 4 104.026 19.157 12.657 1.00 0.00 H new ATOM 0 HB3 GLN A 4 103.564 18.318 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 4 103.098 16.792 13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 4 104.535 16.176 12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 4 103.362 17.747 15.110 1.00 0.00 H new ATOM 0 HE22 GLN A 4 104.874 17.576 16.007 1.00 0.00 H new ATOM 58 N HIS A 5 106.587 18.251 9.229 1.00 0.00 N ATOM 59 CA HIS A 5 106.841 17.573 7.961 1.00 0.00 C ATOM 60 C HIS A 5 108.172 16.831 8.001 1.00 0.00 C ATOM 61 O HIS A 5 108.527 16.131 7.052 1.00 0.00 O ATOM 62 CB HIS A 5 106.856 18.588 6.817 1.00 0.00 C ATOM 63 CG HIS A 5 105.774 19.604 7.045 1.00 0.00 C ATOM 64 ND1 HIS A 5 105.835 20.883 6.516 1.00 0.00 N ATOM 65 CD2 HIS A 5 104.598 19.543 7.748 1.00 0.00 C ATOM 66 CE1 HIS A 5 104.726 21.535 6.906 1.00 0.00 C ATOM 67 NE2 HIS A 5 103.937 20.764 7.659 1.00 0.00 N ATOM 0 H HIS A 5 106.975 19.192 9.294 1.00 0.00 H new ATOM 0 HA HIS A 5 106.042 16.850 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 5 107.827 19.079 6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 5 106.702 18.082 5.864 1.00 0.00 H new ATOM 0 HD1 HIS A 5 106.584 21.261 5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 5 104.240 18.679 8.288 1.00 0.00 H new ATOM 0 HE1 HIS A 5 104.500 22.558 6.643 1.00 0.00 H new ATOM 75 N ASP A 6 108.907 16.983 9.099 1.00 0.00 N ATOM 76 CA ASP A 6 110.193 16.310 9.229 1.00 0.00 C ATOM 77 C ASP A 6 110.042 14.843 8.842 1.00 0.00 C ATOM 78 O ASP A 6 108.957 14.277 8.964 1.00 0.00 O ATOM 79 CB ASP A 6 110.705 16.422 10.668 1.00 0.00 C ATOM 80 CG ASP A 6 110.440 17.824 11.207 1.00 0.00 C ATOM 81 OD1 ASP A 6 110.732 18.775 10.500 1.00 0.00 O ATOM 82 OD2 ASP A 6 109.948 17.925 12.318 1.00 0.00 O ATOM 0 H ASP A 6 108.639 17.557 9.899 1.00 0.00 H new ATOM 0 HA ASP A 6 110.914 16.786 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 6 110.211 15.682 11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 6 111.773 16.206 10.701 1.00 0.00 H new ATOM 87 N GLU A 7 111.120 14.229 8.362 1.00 0.00 N ATOM 88 CA GLU A 7 111.047 12.830 7.956 1.00 0.00 C ATOM 89 C GLU A 7 111.407 11.897 9.108 1.00 0.00 C ATOM 90 O GLU A 7 112.402 12.098 9.803 1.00 0.00 O ATOM 91 CB GLU A 7 111.962 12.571 6.756 1.00 0.00 C ATOM 92 CG GLU A 7 113.381 13.074 7.050 1.00 0.00 C ATOM 93 CD GLU A 7 113.556 14.500 6.535 1.00 0.00 C ATOM 94 OE1 GLU A 7 113.209 15.417 7.260 1.00 0.00 O ATOM 95 OE2 GLU A 7 114.032 14.651 5.422 1.00 0.00 O ATOM 0 H GLU A 7 112.034 14.666 8.246 1.00 0.00 H new ATOM 0 HA GLU A 7 110.017 12.622 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.986 11.505 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 7 111.566 13.073 5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 7 113.570 13.042 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 7 114.112 12.417 6.578 1.00 0.00 H new ATOM 102 N ARG A 8 110.572 10.875 9.307 1.00 0.00 N ATOM 103 CA ARG A 8 110.787 9.907 10.380 1.00 0.00 C ATOM 104 C ARG A 8 110.914 8.490 9.821 1.00 0.00 C ATOM 105 O ARG A 8 111.221 7.554 10.559 1.00 0.00 O ATOM 106 CB ARG A 8 109.623 9.951 11.379 1.00 0.00 C ATOM 107 CG ARG A 8 109.793 11.117 12.363 1.00 0.00 C ATOM 108 CD ARG A 8 109.360 12.434 11.712 1.00 0.00 C ATOM 109 NE ARG A 8 108.000 12.338 11.185 1.00 0.00 N ATOM 110 CZ ARG A 8 107.103 13.306 11.387 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.397 14.335 12.137 1.00 0.00 N ATOM 112 NH2 ARG A 8 105.924 13.226 10.836 1.00 0.00 N ATOM 0 H ARG A 8 109.743 10.698 8.740 1.00 0.00 H new ATOM 0 HA ARG A 8 111.715 10.173 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 8 108.681 10.057 10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 8 109.573 9.011 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.199 10.935 13.259 1.00 0.00 H new ATOM 0 HG3 ARG A 8 110.834 11.185 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 8 109.414 13.240 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.048 12.689 10.906 1.00 0.00 H new ATOM 0 HE ARG A 8 107.730 11.512 10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.317 14.402 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 8 106.707 15.071 12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 8 105.688 12.424 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.238 13.965 10.990 1.00 0.00 H new ATOM 126 N ARG A 9 110.695 8.335 8.516 1.00 0.00 N ATOM 127 CA ARG A 9 110.813 7.016 7.890 1.00 0.00 C ATOM 128 C ARG A 9 112.097 6.945 7.078 1.00 0.00 C ATOM 129 O ARG A 9 112.418 7.868 6.329 1.00 0.00 O ATOM 130 CB ARG A 9 109.606 6.705 6.982 1.00 0.00 C ATOM 131 CG ARG A 9 108.935 7.997 6.523 1.00 0.00 C ATOM 132 CD ARG A 9 107.569 7.677 5.912 1.00 0.00 C ATOM 133 NE ARG A 9 106.798 8.905 5.730 1.00 0.00 N ATOM 134 CZ ARG A 9 106.788 9.556 4.569 1.00 0.00 C ATOM 135 NH1 ARG A 9 107.485 9.112 3.558 1.00 0.00 N ATOM 136 NH2 ARG A 9 106.081 10.646 4.442 1.00 0.00 N ATOM 0 H ARG A 9 110.439 9.090 7.880 1.00 0.00 H new ATOM 0 HA ARG A 9 110.835 6.271 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.934 6.131 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 9 108.888 6.087 7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 9 108.817 8.677 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.563 8.504 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.700 7.175 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 9 107.025 6.990 6.560 1.00 0.00 H new ATOM 0 HE ARG A 9 106.255 9.272 6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 9 108.041 8.262 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 9 107.474 9.615 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.538 10.997 5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 9 106.071 11.147 3.554 1.00 0.00 H new ATOM 150 N ARG A 10 112.827 5.844 7.245 1.00 0.00 N ATOM 151 CA ARG A 10 114.092 5.646 6.535 1.00 0.00 C ATOM 152 C ARG A 10 114.139 6.504 5.269 1.00 0.00 C ATOM 153 O ARG A 10 114.917 7.454 5.184 1.00 0.00 O ATOM 154 CB ARG A 10 114.287 4.162 6.168 1.00 0.00 C ATOM 155 CG ARG A 10 113.634 3.253 7.221 1.00 0.00 C ATOM 156 CD ARG A 10 112.172 2.985 6.840 1.00 0.00 C ATOM 157 NE ARG A 10 111.462 2.361 7.953 1.00 0.00 N ATOM 158 CZ ARG A 10 111.416 1.037 8.086 1.00 0.00 C ATOM 159 NH1 ARG A 10 112.017 0.273 7.215 1.00 0.00 N ATOM 160 NH2 ARG A 10 110.771 0.503 9.086 1.00 0.00 N ATOM 0 H ARG A 10 112.566 5.076 7.864 1.00 0.00 H new ATOM 0 HA ARG A 10 114.901 5.951 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 10 113.851 3.964 5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.351 3.937 6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.180 2.312 7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.683 3.724 8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.683 3.920 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.131 2.337 5.965 1.00 0.00 H new ATOM 0 HE ARG A 10 110.993 2.950 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.522 0.690 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 10 111.982 -0.741 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.301 1.100 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.736 -0.511 9.187 1.00 0.00 H new ATOM 174 N PHE A 11 113.293 6.175 4.295 1.00 0.00 N ATOM 175 CA PHE A 11 113.239 6.938 3.052 1.00 0.00 C ATOM 176 C PHE A 11 111.841 6.880 2.444 1.00 0.00 C ATOM 177 O PHE A 11 111.061 5.975 2.741 1.00 0.00 O ATOM 178 CB PHE A 11 114.266 6.400 2.052 1.00 0.00 C ATOM 179 CG PHE A 11 114.276 4.890 2.084 1.00 0.00 C ATOM 180 CD1 PHE A 11 115.089 4.217 3.001 1.00 0.00 C ATOM 181 CD2 PHE A 11 113.476 4.165 1.194 1.00 0.00 C ATOM 182 CE1 PHE A 11 115.104 2.818 3.030 1.00 0.00 C ATOM 183 CE2 PHE A 11 113.491 2.765 1.220 1.00 0.00 C ATOM 184 CZ PHE A 11 114.305 2.091 2.139 1.00 0.00 C ATOM 0 H PHE A 11 112.641 5.392 4.342 1.00 0.00 H new ATOM 0 HA PHE A 11 113.477 7.977 3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 11 114.026 6.749 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 11 115.257 6.784 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 11 115.706 4.777 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 11 112.847 4.685 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 11 115.732 2.299 3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 11 112.875 2.205 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 11 114.316 1.011 2.160 1.00 0.00 H new ATOM 194 N HIS A 12 111.535 7.849 1.586 1.00 0.00 N ATOM 195 CA HIS A 12 110.230 7.899 0.931 1.00 0.00 C ATOM 196 C HIS A 12 109.822 6.506 0.456 1.00 0.00 C ATOM 197 O HIS A 12 110.640 5.586 0.438 1.00 0.00 O ATOM 198 CB HIS A 12 110.291 8.863 -0.263 1.00 0.00 C ATOM 199 CG HIS A 12 111.712 8.964 -0.748 1.00 0.00 C ATOM 200 ND1 HIS A 12 112.380 10.175 -0.832 1.00 0.00 N ATOM 201 CD2 HIS A 12 112.609 8.011 -1.164 1.00 0.00 C ATOM 202 CE1 HIS A 12 113.623 9.922 -1.282 1.00 0.00 C ATOM 203 NE2 HIS A 12 113.815 8.619 -1.501 1.00 0.00 N ATOM 0 H HIS A 12 112.168 8.606 1.329 1.00 0.00 H new ATOM 0 HA HIS A 12 109.487 8.254 1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 12 109.645 8.507 -1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 12 109.924 9.847 0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 12 112.409 6.951 -1.221 1.00 0.00 H new ATOM 0 HE1 HIS A 12 114.374 10.681 -1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 12 114.663 8.166 -1.842 1.00 0.00 H new ATOM 211 N ARG A 13 108.554 6.355 0.073 1.00 0.00 N ATOM 212 CA ARG A 13 108.055 5.063 -0.400 1.00 0.00 C ATOM 213 C ARG A 13 107.585 5.161 -1.848 1.00 0.00 C ATOM 214 O ARG A 13 107.406 6.256 -2.382 1.00 0.00 O ATOM 215 CB ARG A 13 106.882 4.585 0.472 1.00 0.00 C ATOM 216 CG ARG A 13 107.159 4.877 1.960 1.00 0.00 C ATOM 217 CD ARG A 13 106.052 5.773 2.522 1.00 0.00 C ATOM 218 NE ARG A 13 105.889 6.954 1.685 1.00 0.00 N ATOM 219 CZ ARG A 13 105.097 7.956 2.052 1.00 0.00 C ATOM 220 NH1 ARG A 13 104.445 7.893 3.181 1.00 0.00 N ATOM 221 NH2 ARG A 13 104.971 9.002 1.283 1.00 0.00 N ATOM 0 H ARG A 13 107.860 7.102 0.080 1.00 0.00 H new ATOM 0 HA ARG A 13 108.875 4.348 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 13 105.964 5.085 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 13 106.727 3.516 0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 13 107.206 3.944 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 13 108.127 5.365 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.114 5.219 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.298 6.071 3.541 1.00 0.00 H new ATOM 0 HE ARG A 13 106.393 7.013 0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.543 7.075 3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 13 103.837 8.662 3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 13 105.480 9.051 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 13 104.363 9.771 1.564 1.00 0.00 H new ATOM 235 N ILE A 14 107.378 4.006 -2.470 1.00 0.00 N ATOM 236 CA ILE A 14 106.916 3.958 -3.851 1.00 0.00 C ATOM 237 C ILE A 14 105.462 4.403 -3.930 1.00 0.00 C ATOM 238 O ILE A 14 104.552 3.614 -3.675 1.00 0.00 O ATOM 239 CB ILE A 14 107.034 2.529 -4.384 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.471 2.027 -4.202 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.658 2.495 -5.866 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.461 3.003 -4.849 1.00 0.00 C ATOM 0 H ILE A 14 107.523 3.092 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 14 107.532 4.627 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 14 106.354 1.882 -3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.695 1.921 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.578 1.039 -4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.744 1.475 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.632 2.841 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.330 3.145 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.478 2.634 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.246 3.087 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.364 3.983 -4.381 1.00 0.00 H new ATOM 254 N ALA A 15 105.240 5.669 -4.270 1.00 0.00 N ATOM 255 CA ALA A 15 103.878 6.180 -4.355 1.00 0.00 C ATOM 256 C ALA A 15 103.342 6.115 -5.777 1.00 0.00 C ATOM 257 O ALA A 15 103.867 6.749 -6.692 1.00 0.00 O ATOM 258 CB ALA A 15 103.832 7.627 -3.869 1.00 0.00 C ATOM 0 H ALA A 15 105.970 6.347 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 15 103.252 5.552 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.810 8.001 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.168 7.674 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.484 8.240 -4.490 1.00 0.00 H new ATOM 264 N PHE A 16 102.256 5.374 -5.930 1.00 0.00 N ATOM 265 CA PHE A 16 101.579 5.239 -7.209 1.00 0.00 C ATOM 266 C PHE A 16 100.099 5.011 -6.940 1.00 0.00 C ATOM 267 O PHE A 16 99.730 4.592 -5.844 1.00 0.00 O ATOM 268 CB PHE A 16 102.183 4.095 -8.034 1.00 0.00 C ATOM 269 CG PHE A 16 101.848 2.753 -7.426 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.260 2.446 -6.124 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.146 1.803 -8.180 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.965 1.194 -5.575 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.856 0.549 -7.632 1.00 0.00 C ATOM 274 CZ PHE A 16 101.266 0.246 -6.329 1.00 0.00 C ATOM 0 H PHE A 16 101.820 4.850 -5.172 1.00 0.00 H new ATOM 0 HA PHE A 16 101.707 6.148 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.805 4.140 -9.055 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.265 4.213 -8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.805 3.176 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.829 2.039 -9.185 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.277 0.959 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.317 -0.184 -8.214 1.00 0.00 H new ATOM 0 HZ PHE A 16 101.042 -0.722 -5.905 1.00 0.00 H new ATOM 284 N ASP A 17 99.244 5.299 -7.912 1.00 0.00 N ATOM 285 CA ASP A 17 97.810 5.124 -7.700 1.00 0.00 C ATOM 286 C ASP A 17 97.339 3.773 -8.225 1.00 0.00 C ATOM 287 O ASP A 17 97.849 3.270 -9.227 1.00 0.00 O ATOM 288 CB ASP A 17 97.040 6.242 -8.409 1.00 0.00 C ATOM 289 CG ASP A 17 95.621 6.325 -7.861 1.00 0.00 C ATOM 290 OD1 ASP A 17 95.070 5.285 -7.538 1.00 0.00 O ATOM 291 OD2 ASP A 17 95.104 7.426 -7.772 1.00 0.00 O ATOM 0 H ASP A 17 99.507 5.647 -8.834 1.00 0.00 H new ATOM 0 HA ASP A 17 97.618 5.165 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.551 7.194 -8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.014 6.053 -9.482 1.00 0.00 H new ATOM 296 N ALA A 18 96.353 3.196 -7.544 1.00 0.00 N ATOM 297 CA ALA A 18 95.802 1.910 -7.948 1.00 0.00 C ATOM 298 C ALA A 18 94.677 1.503 -7.003 1.00 0.00 C ATOM 299 O ALA A 18 94.399 2.190 -6.020 1.00 0.00 O ATOM 300 CB ALA A 18 96.891 0.833 -7.957 1.00 0.00 C ATOM 0 H ALA A 18 95.921 3.599 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 18 95.404 2.009 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.458 -0.120 -8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.676 1.115 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.315 0.736 -6.958 1.00 0.00 H new ATOM 306 N ASP A 19 94.029 0.386 -7.312 1.00 0.00 N ATOM 307 CA ASP A 19 92.929 -0.101 -6.487 1.00 0.00 C ATOM 308 C ASP A 19 93.422 -1.148 -5.496 1.00 0.00 C ATOM 309 O ASP A 19 94.156 -2.064 -5.863 1.00 0.00 O ATOM 310 CB ASP A 19 91.839 -0.707 -7.382 1.00 0.00 C ATOM 311 CG ASP A 19 90.457 -0.430 -6.796 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.132 0.734 -6.623 1.00 0.00 O ATOM 313 OD2 ASP A 19 89.744 -1.384 -6.531 1.00 0.00 O ATOM 0 H ASP A 19 94.244 -0.196 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 19 92.516 0.739 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.907 -0.286 -8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 19 91.993 -1.782 -7.476 1.00 0.00 H new ATOM 318 N SER A 20 92.999 -1.017 -4.242 1.00 0.00 N ATOM 319 CA SER A 20 93.388 -1.970 -3.212 1.00 0.00 C ATOM 320 C SER A 20 92.177 -2.352 -2.365 1.00 0.00 C ATOM 321 O SER A 20 91.205 -1.609 -2.286 1.00 0.00 O ATOM 322 CB SER A 20 94.465 -1.358 -2.320 1.00 0.00 C ATOM 323 OG SER A 20 94.109 -0.017 -2.008 1.00 0.00 O ATOM 0 H SER A 20 92.391 -0.265 -3.918 1.00 0.00 H new ATOM 0 HA SER A 20 93.783 -2.865 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.570 -1.941 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.430 -1.382 -2.826 1.00 0.00 H new ATOM 0 HG SER A 20 93.144 0.102 -2.128 1.00 0.00 H new ATOM 329 N GLU A 21 92.248 -3.508 -1.724 1.00 0.00 N ATOM 330 CA GLU A 21 91.158 -3.969 -0.870 1.00 0.00 C ATOM 331 C GLU A 21 91.746 -4.658 0.349 1.00 0.00 C ATOM 332 O GLU A 21 92.803 -5.282 0.261 1.00 0.00 O ATOM 333 CB GLU A 21 90.243 -4.929 -1.633 1.00 0.00 C ATOM 334 CG GLU A 21 89.923 -4.347 -3.010 1.00 0.00 C ATOM 335 CD GLU A 21 89.013 -5.298 -3.778 1.00 0.00 C ATOM 336 OE1 GLU A 21 88.891 -6.437 -3.359 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.451 -4.874 -4.774 1.00 0.00 O ATOM 0 H GLU A 21 93.044 -4.144 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 21 90.559 -3.114 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 90.727 -5.900 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.322 -5.092 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.439 -3.376 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.845 -4.182 -3.568 1.00 0.00 H new ATOM 344 N ILE A 22 91.084 -4.518 1.491 1.00 0.00 N ATOM 345 CA ILE A 22 91.597 -5.114 2.721 1.00 0.00 C ATOM 346 C ILE A 22 90.585 -6.060 3.356 1.00 0.00 C ATOM 347 O ILE A 22 89.403 -5.755 3.447 1.00 0.00 O ATOM 348 CB ILE A 22 91.971 -3.995 3.696 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.158 -3.218 3.115 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.354 -4.582 5.060 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.665 -2.194 4.129 1.00 0.00 C ATOM 0 H ILE A 22 90.207 -4.007 1.593 1.00 0.00 H new ATOM 0 HA ILE A 22 92.479 -5.707 2.479 1.00 0.00 H new ATOM 0 HB ILE A 22 91.118 -3.331 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.960 -3.908 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.857 -2.713 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.617 -3.774 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.510 -5.140 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.207 -5.250 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.508 -1.649 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.865 -1.494 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.984 -2.707 5.036 1.00 0.00 H new ATOM 363 N LEU A 23 91.077 -7.210 3.802 1.00 0.00 N ATOM 364 CA LEU A 23 90.237 -8.217 4.435 1.00 0.00 C ATOM 365 C LEU A 23 90.700 -8.482 5.858 1.00 0.00 C ATOM 366 O LEU A 23 91.849 -8.853 6.096 1.00 0.00 O ATOM 367 CB LEU A 23 90.302 -9.528 3.642 1.00 0.00 C ATOM 368 CG LEU A 23 90.532 -9.220 2.157 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.030 -9.198 1.844 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.860 -10.298 1.296 1.00 0.00 C ATOM 0 H LEU A 23 92.061 -7.468 3.736 1.00 0.00 H new ATOM 0 HA LEU A 23 89.213 -7.843 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.108 -10.156 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.375 -10.088 3.768 1.00 0.00 H new ATOM 0 HG LEU A 23 90.102 -8.243 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.178 -8.978 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.516 -8.430 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.465 -10.170 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.025 -10.077 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.288 -11.272 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.789 -10.312 1.501 1.00 0.00 H new ATOM 382 N GLN A 24 89.785 -8.307 6.793 1.00 0.00 N ATOM 383 CA GLN A 24 90.087 -8.549 8.202 1.00 0.00 C ATOM 384 C GLN A 24 89.010 -9.434 8.812 1.00 0.00 C ATOM 385 O GLN A 24 87.909 -8.970 9.110 1.00 0.00 O ATOM 386 CB GLN A 24 90.150 -7.220 8.960 1.00 0.00 C ATOM 387 CG GLN A 24 90.630 -7.451 10.404 1.00 0.00 C ATOM 388 CD GLN A 24 89.465 -7.321 11.381 1.00 0.00 C ATOM 389 OE1 GLN A 24 88.361 -7.791 11.099 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.643 -6.708 12.521 1.00 0.00 N ATOM 0 H GLN A 24 88.830 -8.000 6.610 1.00 0.00 H new ATOM 0 HA GLN A 24 91.053 -9.049 8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.827 -6.534 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.166 -6.751 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 24 91.077 -8.441 10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.406 -6.728 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 24 90.557 -6.319 12.754 1.00 0.00 H new ATOM 0 HE22 GLN A 24 88.868 -6.618 13.178 1.00 0.00 H new ATOM 399 N GLY A 25 89.317 -10.719 8.973 1.00 0.00 N ATOM 400 CA GLY A 25 88.347 -11.655 9.522 1.00 0.00 C ATOM 401 C GLY A 25 87.369 -12.087 8.436 1.00 0.00 C ATOM 402 O GLY A 25 87.775 -12.536 7.365 1.00 0.00 O ATOM 0 H GLY A 25 90.219 -11.130 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.860 -12.526 9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.806 -11.190 10.346 1.00 0.00 H new ATOM 406 N GLU A 26 86.082 -11.940 8.717 1.00 0.00 N ATOM 407 CA GLU A 26 85.046 -12.307 7.759 1.00 0.00 C ATOM 408 C GLU A 26 84.520 -11.060 7.054 1.00 0.00 C ATOM 409 O GLU A 26 83.479 -11.097 6.398 1.00 0.00 O ATOM 410 CB GLU A 26 83.894 -12.993 8.499 1.00 0.00 C ATOM 411 CG GLU A 26 83.221 -11.995 9.453 1.00 0.00 C ATOM 412 CD GLU A 26 82.811 -12.695 10.746 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.970 -13.578 10.679 1.00 0.00 O ATOM 414 OE2 GLU A 26 83.344 -12.338 11.784 1.00 0.00 O ATOM 0 H GLU A 26 85.729 -11.570 9.600 1.00 0.00 H new ATOM 0 HA GLU A 26 85.468 -12.986 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.165 -13.374 7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.268 -13.850 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 26 83.905 -11.176 9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.345 -11.558 8.974 1.00 0.00 H new ATOM 421 N ARG A 27 85.229 -9.950 7.230 1.00 0.00 N ATOM 422 CA ARG A 27 84.812 -8.680 6.646 1.00 0.00 C ATOM 423 C ARG A 27 85.784 -8.169 5.591 1.00 0.00 C ATOM 424 O ARG A 27 87.000 -8.189 5.788 1.00 0.00 O ATOM 425 CB ARG A 27 84.724 -7.647 7.759 1.00 0.00 C ATOM 426 CG ARG A 27 83.580 -8.024 8.705 1.00 0.00 C ATOM 427 CD ARG A 27 83.869 -7.463 10.090 1.00 0.00 C ATOM 428 NE ARG A 27 82.686 -7.562 10.937 1.00 0.00 N ATOM 429 CZ ARG A 27 81.668 -6.719 10.797 1.00 0.00 C ATOM 430 NH1 ARG A 27 81.718 -5.781 9.894 1.00 0.00 N ATOM 431 NH2 ARG A 27 80.618 -6.832 11.564 1.00 0.00 N ATOM 0 H ARG A 27 86.093 -9.904 7.771 1.00 0.00 H new ATOM 0 HA ARG A 27 83.850 -8.840 6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.665 -7.603 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.553 -6.656 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.636 -7.628 8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.475 -9.108 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.696 -8.008 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.180 -6.421 10.010 1.00 0.00 H new ATOM 0 HE ARG A 27 82.639 -8.291 11.649 1.00 0.00 H new ATOM 0 HH11 ARG A 27 82.538 -5.694 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 27 80.937 -5.134 9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.579 -7.567 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 27 79.836 -6.185 11.457 1.00 0.00 H new ATOM 445 N ARG A 28 85.239 -7.692 4.479 1.00 0.00 N ATOM 446 CA ARG A 28 86.060 -7.152 3.394 1.00 0.00 C ATOM 447 C ARG A 28 85.573 -5.770 3.005 1.00 0.00 C ATOM 448 O ARG A 28 84.388 -5.456 3.123 1.00 0.00 O ATOM 449 CB ARG A 28 86.006 -8.067 2.160 1.00 0.00 C ATOM 450 CG ARG A 28 87.161 -7.707 1.207 1.00 0.00 C ATOM 451 CD ARG A 28 86.733 -7.864 -0.262 1.00 0.00 C ATOM 452 NE ARG A 28 87.857 -8.311 -1.100 1.00 0.00 N ATOM 453 CZ ARG A 28 89.104 -7.876 -0.912 1.00 0.00 C ATOM 454 NH1 ARG A 28 89.376 -7.002 0.016 1.00 0.00 N ATOM 455 NH2 ARG A 28 90.063 -8.319 -1.680 1.00 0.00 N ATOM 0 H ARG A 28 84.235 -7.666 4.302 1.00 0.00 H new ATOM 0 HA ARG A 28 87.088 -7.093 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.082 -9.111 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 28 85.050 -7.952 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 28 87.481 -6.681 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 28 88.018 -8.349 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 28 85.917 -8.583 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 28 86.353 -6.913 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 28 87.676 -8.977 -1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 28 88.630 -6.641 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 28 90.335 -6.679 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.856 -8.993 -2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 28 91.019 -7.991 -1.543 1.00 0.00 H new ATOM 469 N TRP A 29 86.502 -4.948 2.548 1.00 0.00 N ATOM 470 CA TRP A 29 86.190 -3.590 2.147 1.00 0.00 C ATOM 471 C TRP A 29 87.084 -3.162 0.989 1.00 0.00 C ATOM 472 O TRP A 29 88.187 -3.681 0.817 1.00 0.00 O ATOM 473 CB TRP A 29 86.434 -2.654 3.321 1.00 0.00 C ATOM 474 CG TRP A 29 85.620 -3.066 4.502 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.278 -2.958 4.602 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.084 -3.638 5.754 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.886 -3.419 5.849 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.968 -3.849 6.596 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.357 -3.987 6.235 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.114 -4.388 7.876 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.509 -4.531 7.519 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.389 -4.730 8.340 1.00 0.00 C ATOM 0 H TRP A 29 87.485 -5.201 2.446 1.00 0.00 H new ATOM 0 HA TRP A 29 85.147 -3.546 1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.492 -2.659 3.583 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.181 -1.633 3.037 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.619 -2.576 3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.920 -3.439 6.175 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.225 -3.835 5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.248 -4.540 8.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.492 -4.798 7.877 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.511 -5.147 9.329 1.00 0.00 H new ATOM 493 N GLU A 30 86.603 -2.206 0.204 1.00 0.00 N ATOM 494 CA GLU A 30 87.363 -1.698 -0.933 1.00 0.00 C ATOM 495 C GLU A 30 88.031 -0.376 -0.563 1.00 0.00 C ATOM 496 O GLU A 30 87.409 0.476 0.072 1.00 0.00 O ATOM 497 CB GLU A 30 86.426 -1.480 -2.123 1.00 0.00 C ATOM 498 CG GLU A 30 85.442 -2.647 -2.220 1.00 0.00 C ATOM 499 CD GLU A 30 84.747 -2.634 -3.577 1.00 0.00 C ATOM 500 OE1 GLU A 30 83.863 -1.813 -3.761 1.00 0.00 O ATOM 501 OE2 GLU A 30 85.109 -3.446 -4.414 1.00 0.00 O ATOM 0 H GLU A 30 85.691 -1.767 0.333 1.00 0.00 H new ATOM 0 HA GLU A 30 88.129 -2.425 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.883 -0.542 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.003 -1.400 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.970 -3.591 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.702 -2.576 -1.423 1.00 0.00 H new ATOM 508 N VAL A 31 89.290 -0.202 -0.943 1.00 0.00 N ATOM 509 CA VAL A 31 90.006 1.030 -0.621 1.00 0.00 C ATOM 510 C VAL A 31 91.007 1.386 -1.713 1.00 0.00 C ATOM 511 O VAL A 31 91.474 0.525 -2.455 1.00 0.00 O ATOM 512 CB VAL A 31 90.758 0.862 0.702 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.759 0.768 1.854 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.598 -0.418 0.657 1.00 0.00 C ATOM 0 H VAL A 31 89.833 -0.888 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 31 89.272 1.832 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 31 91.410 1.722 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.298 0.648 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.161 1.678 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.105 -0.090 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.133 -0.536 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.945 -1.277 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.315 -0.354 -0.161 1.00 0.00 H new ATOM 524 N LEU A 32 91.359 2.665 -1.787 1.00 0.00 N ATOM 525 CA LEU A 32 92.332 3.123 -2.767 1.00 0.00 C ATOM 526 C LEU A 32 93.704 3.179 -2.108 1.00 0.00 C ATOM 527 O LEU A 32 93.855 3.735 -1.018 1.00 0.00 O ATOM 528 CB LEU A 32 91.950 4.504 -3.323 1.00 0.00 C ATOM 529 CG LEU A 32 91.836 5.539 -2.192 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.737 6.940 -2.804 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.586 5.264 -1.339 1.00 0.00 C ATOM 0 H LEU A 32 90.987 3.398 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 32 92.351 2.425 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.699 4.830 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.002 4.436 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 32 92.718 5.470 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.656 7.680 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.629 7.142 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.856 6.996 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 90.519 6.005 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.697 5.324 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 32 90.655 4.268 -0.903 1.00 0.00 H new ATOM 543 N LEU A 33 94.703 2.592 -2.752 1.00 0.00 N ATOM 544 CA LEU A 33 96.044 2.591 -2.186 1.00 0.00 C ATOM 545 C LEU A 33 96.824 3.793 -2.690 1.00 0.00 C ATOM 546 O LEU A 33 96.918 4.035 -3.894 1.00 0.00 O ATOM 547 CB LEU A 33 96.779 1.292 -2.543 1.00 0.00 C ATOM 548 CG LEU A 33 98.287 1.421 -2.239 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.797 0.132 -1.588 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.058 1.660 -3.543 1.00 0.00 C ATOM 0 H LEU A 33 94.614 2.118 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 33 95.963 2.653 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.358 0.462 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.633 1.064 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 33 98.441 2.260 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.862 0.228 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.256 -0.045 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.637 -0.706 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.122 1.751 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.896 0.821 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.704 2.578 -4.012 1.00 0.00 H new ATOM 562 N HIS A 34 97.355 4.557 -1.749 1.00 0.00 N ATOM 563 CA HIS A 34 98.101 5.758 -2.082 1.00 0.00 C ATOM 564 C HIS A 34 99.598 5.476 -2.224 1.00 0.00 C ATOM 565 O HIS A 34 100.273 6.159 -2.994 1.00 0.00 O ATOM 566 CB HIS A 34 97.839 6.816 -1.019 1.00 0.00 C ATOM 567 CG HIS A 34 96.452 7.371 -1.201 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.201 8.515 -1.941 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.230 6.943 -0.747 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.873 8.733 -1.911 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.235 7.805 -1.195 1.00 0.00 N ATOM 0 H HIS A 34 97.283 4.366 -0.750 1.00 0.00 H new ATOM 0 HA HIS A 34 97.761 6.125 -3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.942 6.382 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.576 7.615 -1.096 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.896 9.087 -2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.066 6.069 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.383 9.559 -2.406 1.00 0.00 H new ATOM 579 N ASP A 35 100.118 4.461 -1.540 1.00 0.00 N ATOM 580 CA ASP A 35 101.540 4.134 -1.698 1.00 0.00 C ATOM 581 C ASP A 35 101.900 2.854 -0.954 1.00 0.00 C ATOM 582 O ASP A 35 101.171 2.405 -0.071 1.00 0.00 O ATOM 583 CB ASP A 35 102.425 5.291 -1.221 1.00 0.00 C ATOM 584 CG ASP A 35 102.344 5.410 0.297 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.388 5.997 0.776 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.238 4.910 0.959 1.00 0.00 O ATOM 0 H ASP A 35 99.602 3.866 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 35 101.722 3.973 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.457 5.122 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.103 6.223 -1.686 1.00 0.00 H new ATOM 591 N VAL A 36 103.032 2.263 -1.339 1.00 0.00 N ATOM 592 CA VAL A 36 103.494 1.018 -0.729 1.00 0.00 C ATOM 593 C VAL A 36 105.017 0.989 -0.627 1.00 0.00 C ATOM 594 O VAL A 36 105.712 1.809 -1.225 1.00 0.00 O ATOM 595 CB VAL A 36 103.011 -0.174 -1.566 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.857 -0.284 -2.839 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.141 -1.471 -0.760 1.00 0.00 C ATOM 0 H VAL A 36 103.644 2.627 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 36 103.082 0.955 0.278 1.00 0.00 H new ATOM 0 HB VAL A 36 101.965 -0.019 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.513 -1.131 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.758 0.632 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.903 -0.431 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.796 -2.310 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.185 -1.626 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.535 -1.400 0.144 1.00 0.00 H new ATOM 607 N SER A 37 105.519 0.008 0.119 1.00 0.00 N ATOM 608 CA SER A 37 106.950 -0.189 0.300 1.00 0.00 C ATOM 609 C SER A 37 107.219 -1.686 0.321 1.00 0.00 C ATOM 610 O SER A 37 106.281 -2.480 0.389 1.00 0.00 O ATOM 611 CB SER A 37 107.418 0.429 1.617 1.00 0.00 C ATOM 612 OG SER A 37 106.919 1.752 1.722 1.00 0.00 O ATOM 0 H SER A 37 104.942 -0.672 0.614 1.00 0.00 H new ATOM 0 HA SER A 37 107.492 0.293 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.068 -0.171 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 37 108.507 0.435 1.661 1.00 0.00 H new ATOM 0 HG SER A 37 107.651 2.389 1.586 1.00 0.00 H new ATOM 618 N LEU A 38 108.481 -2.083 0.266 1.00 0.00 N ATOM 619 CA LEU A 38 108.788 -3.506 0.279 1.00 0.00 C ATOM 620 C LEU A 38 108.386 -4.123 1.618 1.00 0.00 C ATOM 621 O LEU A 38 108.539 -5.327 1.823 1.00 0.00 O ATOM 622 CB LEU A 38 110.278 -3.744 0.013 1.00 0.00 C ATOM 623 CG LEU A 38 110.733 -2.911 -1.198 1.00 0.00 C ATOM 624 CD1 LEU A 38 111.457 -1.648 -0.721 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.688 -3.741 -2.064 1.00 0.00 C ATOM 0 H LEU A 38 109.288 -1.462 0.213 1.00 0.00 H new ATOM 0 HA LEU A 38 108.217 -3.985 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.861 -3.472 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.458 -4.803 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 38 109.857 -2.628 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.776 -1.064 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 38 110.782 -1.051 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.329 -1.929 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.009 -3.149 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.559 -4.027 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 38 111.176 -4.638 -2.413 1.00 0.00 H new ATOM 637 N HIS A 39 107.868 -3.295 2.525 1.00 0.00 N ATOM 638 CA HIS A 39 107.449 -3.789 3.834 1.00 0.00 C ATOM 639 C HIS A 39 106.525 -2.792 4.540 1.00 0.00 C ATOM 640 O HIS A 39 106.642 -2.576 5.746 1.00 0.00 O ATOM 641 CB HIS A 39 108.679 -4.055 4.707 1.00 0.00 C ATOM 642 CG HIS A 39 109.290 -2.748 5.134 1.00 0.00 C ATOM 643 ND1 HIS A 39 110.126 -2.017 4.306 1.00 0.00 N ATOM 644 CD2 HIS A 39 109.195 -2.029 6.301 1.00 0.00 C ATOM 645 CE1 HIS A 39 110.499 -0.912 4.978 1.00 0.00 C ATOM 646 NE2 HIS A 39 109.958 -0.869 6.199 1.00 0.00 N ATOM 0 H HIS A 39 107.730 -2.295 2.380 1.00 0.00 H new ATOM 0 HA HIS A 39 106.896 -4.716 3.681 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.396 -4.639 5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.409 -4.645 4.153 1.00 0.00 H new ATOM 0 HD1 HIS A 39 110.408 -2.270 3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.617 -2.319 7.166 1.00 0.00 H new ATOM 0 HE1 HIS A 39 111.155 -0.153 4.579 1.00 0.00 H new ATOM 654 N GLY A 40 105.604 -2.192 3.788 1.00 0.00 N ATOM 655 CA GLY A 40 104.670 -1.225 4.369 1.00 0.00 C ATOM 656 C GLY A 40 103.657 -0.753 3.332 1.00 0.00 C ATOM 657 O GLY A 40 103.940 -0.761 2.140 1.00 0.00 O ATOM 0 H GLY A 40 105.484 -2.354 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.149 -1.679 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.222 -0.370 4.759 1.00 0.00 H new ATOM 661 N ILE A 41 102.465 -0.360 3.784 1.00 0.00 N ATOM 662 CA ILE A 41 101.424 0.091 2.860 1.00 0.00 C ATOM 663 C ILE A 41 100.545 1.176 3.486 1.00 0.00 C ATOM 664 O ILE A 41 100.305 1.192 4.693 1.00 0.00 O ATOM 665 CB ILE A 41 100.566 -1.112 2.405 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.066 -0.774 2.474 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.844 -2.321 3.299 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.243 -1.926 1.885 1.00 0.00 C ATOM 0 H ILE A 41 102.199 -0.345 4.769 1.00 0.00 H new ATOM 0 HA ILE A 41 101.911 0.531 1.990 1.00 0.00 H new ATOM 0 HB ILE A 41 100.832 -1.343 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.772 -0.597 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.866 0.146 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.235 -3.164 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.899 -2.588 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.596 -2.075 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.183 -1.679 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.528 -2.082 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.432 -2.836 2.454 1.00 0.00 H new ATOM 680 N LEU A 42 100.056 2.068 2.623 1.00 0.00 N ATOM 681 CA LEU A 42 99.178 3.165 3.032 1.00 0.00 C ATOM 682 C LEU A 42 97.865 3.054 2.263 1.00 0.00 C ATOM 683 O LEU A 42 97.865 2.720 1.079 1.00 0.00 O ATOM 684 CB LEU A 42 99.845 4.514 2.707 1.00 0.00 C ATOM 685 CG LEU A 42 99.683 5.499 3.870 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.645 6.674 3.676 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.250 6.029 3.905 1.00 0.00 C ATOM 0 H LEU A 42 100.257 2.050 1.623 1.00 0.00 H new ATOM 0 HA LEU A 42 98.992 3.107 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.904 4.360 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.402 4.935 1.804 1.00 0.00 H new ATOM 0 HG LEU A 42 99.904 4.987 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.532 7.377 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.670 6.305 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.418 7.179 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.141 6.729 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 98.028 6.539 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.558 5.198 4.039 1.00 0.00 H new ATOM 699 N VAL A 43 96.749 3.320 2.931 1.00 0.00 N ATOM 700 CA VAL A 43 95.449 3.223 2.264 1.00 0.00 C ATOM 701 C VAL A 43 94.481 4.293 2.755 1.00 0.00 C ATOM 702 O VAL A 43 94.768 5.032 3.695 1.00 0.00 O ATOM 703 CB VAL A 43 94.838 1.842 2.498 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.803 0.761 2.008 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.574 1.650 3.993 1.00 0.00 C ATOM 0 H VAL A 43 96.712 3.599 3.912 1.00 0.00 H new ATOM 0 HA VAL A 43 95.618 3.378 1.198 1.00 0.00 H new ATOM 0 HB VAL A 43 93.900 1.764 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.364 -0.222 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.991 0.897 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.743 0.837 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.138 0.665 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.513 1.730 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.883 2.417 4.342 1.00 0.00 H new ATOM 715 N GLY A 44 93.311 4.333 2.122 1.00 0.00 N ATOM 716 CA GLY A 44 92.259 5.279 2.509 1.00 0.00 C ATOM 717 C GLY A 44 91.262 4.575 3.430 1.00 0.00 C ATOM 718 O GLY A 44 91.014 3.382 3.263 1.00 0.00 O ATOM 0 H GLY A 44 93.065 3.725 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.696 6.139 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.749 5.657 1.623 1.00 0.00 H new ATOM 722 N GLN A 45 90.709 5.284 4.420 1.00 0.00 N ATOM 723 CA GLN A 45 89.773 4.659 5.357 1.00 0.00 C ATOM 724 C GLN A 45 88.333 4.706 4.837 1.00 0.00 C ATOM 725 O GLN A 45 87.768 5.792 4.704 1.00 0.00 O ATOM 726 CB GLN A 45 89.827 5.416 6.689 1.00 0.00 C ATOM 727 CG GLN A 45 89.022 4.660 7.763 1.00 0.00 C ATOM 728 CD GLN A 45 87.646 5.298 7.952 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.121 6.004 6.988 1.00 0.00 O flip ATOM 730 NE2 GLN A 45 87.033 5.147 9.010 1.00 0.00 N flip ATOM 0 H GLN A 45 90.890 6.273 4.591 1.00 0.00 H new ATOM 0 HA GLN A 45 90.064 3.616 5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.862 5.527 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.424 6.421 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.908 3.616 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.566 4.670 8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.444 4.595 9.763 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.115 5.574 9.133 1.00 0.00 H new ATOM 739 N PRO A 46 87.716 3.588 4.560 1.00 0.00 N ATOM 740 CA PRO A 46 86.312 3.569 4.075 1.00 0.00 C ATOM 741 C PRO A 46 85.316 3.582 5.240 1.00 0.00 C ATOM 742 O PRO A 46 85.680 3.298 6.381 1.00 0.00 O ATOM 743 CB PRO A 46 86.247 2.269 3.285 1.00 0.00 C ATOM 744 CG PRO A 46 87.178 1.348 4.018 1.00 0.00 C ATOM 745 CD PRO A 46 88.267 2.231 4.656 1.00 0.00 C ATOM 0 HA PRO A 46 86.047 4.443 3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.233 1.870 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.562 2.414 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.642 0.784 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.620 0.622 3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.456 1.948 5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.215 2.145 4.124 1.00 0.00 H new ATOM 753 N GLN A 47 84.068 3.931 4.946 1.00 0.00 N ATOM 754 CA GLN A 47 83.031 4.002 5.976 1.00 0.00 C ATOM 755 C GLN A 47 82.722 2.629 6.580 1.00 0.00 C ATOM 756 O GLN A 47 82.497 2.510 7.784 1.00 0.00 O ATOM 757 CB GLN A 47 81.748 4.581 5.375 1.00 0.00 C ATOM 758 CG GLN A 47 81.964 6.053 5.012 1.00 0.00 C ATOM 759 CD GLN A 47 82.785 6.163 3.732 1.00 0.00 C ATOM 760 OE1 GLN A 47 83.093 5.151 3.103 1.00 0.00 O ATOM 761 NE2 GLN A 47 83.156 7.338 3.305 1.00 0.00 N ATOM 0 H GLN A 47 83.748 4.169 4.007 1.00 0.00 H new ATOM 0 HA GLN A 47 83.407 4.645 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.464 4.016 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.928 4.489 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 47 81.002 6.548 4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.476 6.565 5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 47 82.899 8.175 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 47 83.703 7.420 2.448 1.00 0.00 H new ATOM 770 N ASP A 48 82.683 1.604 5.735 1.00 0.00 N ATOM 771 CA ASP A 48 82.366 0.251 6.194 1.00 0.00 C ATOM 772 C ASP A 48 83.514 -0.368 6.993 1.00 0.00 C ATOM 773 O ASP A 48 83.482 -1.554 7.318 1.00 0.00 O ATOM 774 CB ASP A 48 82.046 -0.636 4.989 1.00 0.00 C ATOM 775 CG ASP A 48 80.665 -0.292 4.442 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.690 -0.653 5.081 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.602 0.328 3.394 1.00 0.00 O ATOM 0 H ASP A 48 82.865 1.680 4.734 1.00 0.00 H new ATOM 0 HA ASP A 48 81.501 0.319 6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.799 -0.496 4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.080 -1.686 5.280 1.00 0.00 H new ATOM 782 N TRP A 49 84.524 0.434 7.301 1.00 0.00 N ATOM 783 CA TRP A 49 85.675 -0.056 8.055 1.00 0.00 C ATOM 784 C TRP A 49 85.272 -0.555 9.437 1.00 0.00 C ATOM 785 O TRP A 49 85.640 0.042 10.446 1.00 0.00 O ATOM 786 CB TRP A 49 86.691 1.065 8.223 1.00 0.00 C ATOM 787 CG TRP A 49 87.961 0.525 8.802 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.276 0.520 10.114 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.070 -0.082 8.106 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.537 -0.043 10.273 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.075 -0.420 9.048 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.296 -0.354 6.750 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.274 -1.014 8.630 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.488 -0.950 6.335 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.474 -1.273 7.268 1.00 0.00 C ATOM 0 H TRP A 49 84.572 1.420 7.044 1.00 0.00 H new ATOM 0 HA TRP A 49 86.105 -0.887 7.496 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.891 1.532 7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.286 1.839 8.874 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.650 0.893 10.911 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.006 -0.164 11.171 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.542 -0.100 6.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.036 -1.269 9.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.648 -1.162 5.288 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.397 -1.726 6.938 1.00 0.00 H new ATOM 806 N ASN A 50 84.539 -1.658 9.491 1.00 0.00 N ATOM 807 CA ASN A 50 84.141 -2.209 10.785 1.00 0.00 C ATOM 808 C ASN A 50 85.157 -3.257 11.232 1.00 0.00 C ATOM 809 O ASN A 50 84.926 -4.459 11.093 1.00 0.00 O ATOM 810 CB ASN A 50 82.741 -2.821 10.710 1.00 0.00 C ATOM 811 CG ASN A 50 82.352 -3.395 12.069 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.416 -2.910 12.705 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.019 -4.406 12.555 1.00 0.00 N ATOM 0 H ASN A 50 84.213 -2.180 8.678 1.00 0.00 H new ATOM 0 HA ASN A 50 84.115 -1.401 11.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.019 -2.063 10.405 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.718 -3.606 9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.765 -4.795 13.463 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.794 -4.807 12.027 1.00 0.00 H new ATOM 820 N GLY A 51 86.289 -2.792 11.759 1.00 0.00 N ATOM 821 CA GLY A 51 87.343 -3.696 12.214 1.00 0.00 C ATOM 822 C GLY A 51 88.000 -3.185 13.492 1.00 0.00 C ATOM 823 O GLY A 51 87.939 -1.997 13.805 1.00 0.00 O ATOM 0 H GLY A 51 86.499 -1.801 11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.924 -4.687 12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.096 -3.802 11.433 1.00 0.00 H new ATOM 827 N ASP A 52 88.626 -4.101 14.226 1.00 0.00 N ATOM 828 CA ASP A 52 89.298 -3.755 15.477 1.00 0.00 C ATOM 829 C ASP A 52 90.785 -3.471 15.235 1.00 0.00 C ATOM 830 O ASP A 52 91.547 -4.384 14.913 1.00 0.00 O ATOM 831 CB ASP A 52 89.161 -4.911 16.468 1.00 0.00 C ATOM 832 CG ASP A 52 89.531 -4.442 17.870 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.379 -3.571 17.978 1.00 0.00 O ATOM 834 OD2 ASP A 52 88.963 -4.961 18.817 1.00 0.00 O ATOM 0 H ASP A 52 88.682 -5.089 13.977 1.00 0.00 H new ATOM 0 HA ASP A 52 88.831 -2.858 15.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.139 -5.289 16.460 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.808 -5.736 16.169 1.00 0.00 H new ATOM 839 N PRO A 53 91.214 -2.239 15.384 1.00 0.00 N ATOM 840 CA PRO A 53 92.644 -1.853 15.176 1.00 0.00 C ATOM 841 C PRO A 53 93.608 -2.798 15.878 1.00 0.00 C ATOM 842 O PRO A 53 94.785 -2.876 15.524 1.00 0.00 O ATOM 843 CB PRO A 53 92.729 -0.443 15.767 1.00 0.00 C ATOM 844 CG PRO A 53 91.351 0.114 15.645 1.00 0.00 C ATOM 845 CD PRO A 53 90.391 -1.072 15.762 1.00 0.00 C ATOM 0 HA PRO A 53 92.929 -1.897 14.125 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.052 -0.471 16.808 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.451 0.169 15.225 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.158 0.848 16.428 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.222 0.625 14.691 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.001 -1.171 16.775 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.533 -0.958 15.099 1.00 0.00 H new ATOM 853 N GLN A 54 93.112 -3.493 16.893 1.00 0.00 N ATOM 854 CA GLN A 54 93.956 -4.402 17.652 1.00 0.00 C ATOM 855 C GLN A 54 94.162 -5.727 16.923 1.00 0.00 C ATOM 856 O GLN A 54 95.154 -6.418 17.160 1.00 0.00 O ATOM 857 CB GLN A 54 93.338 -4.661 19.029 1.00 0.00 C ATOM 858 CG GLN A 54 93.526 -3.427 19.918 1.00 0.00 C ATOM 859 CD GLN A 54 92.491 -3.427 21.038 1.00 0.00 C ATOM 860 OE1 GLN A 54 92.537 -4.277 21.927 1.00 0.00 O ATOM 861 NE2 GLN A 54 91.555 -2.518 21.047 1.00 0.00 N ATOM 0 H GLN A 54 92.142 -3.446 17.206 1.00 0.00 H new ATOM 0 HA GLN A 54 94.931 -3.929 17.767 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.277 -4.889 18.925 1.00 0.00 H new ATOM 0 HB3 GLN A 54 93.807 -5.530 19.492 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.531 -3.423 20.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 93.428 -2.520 19.321 1.00 0.00 H new ATOM 0 HE21 GLN A 54 91.520 -1.815 20.309 1.00 0.00 H new ATOM 0 HE22 GLN A 54 90.859 -2.510 21.792 1.00 0.00 H new ATOM 870 N ARG A 55 93.237 -6.083 16.036 1.00 0.00 N ATOM 871 CA ARG A 55 93.364 -7.335 15.290 1.00 0.00 C ATOM 872 C ARG A 55 94.028 -7.072 13.938 1.00 0.00 C ATOM 873 O ARG A 55 93.925 -5.976 13.392 1.00 0.00 O ATOM 874 CB ARG A 55 91.985 -7.980 15.090 1.00 0.00 C ATOM 875 CG ARG A 55 91.608 -8.832 16.315 1.00 0.00 C ATOM 876 CD ARG A 55 90.858 -7.973 17.336 1.00 0.00 C ATOM 877 NE ARG A 55 90.868 -8.615 18.646 1.00 0.00 N ATOM 878 CZ ARG A 55 89.922 -8.360 19.544 1.00 0.00 C ATOM 879 NH1 ARG A 55 88.959 -7.524 19.260 1.00 0.00 N ATOM 880 NH2 ARG A 55 89.952 -8.944 20.710 1.00 0.00 N ATOM 0 H ARG A 55 92.405 -5.535 15.817 1.00 0.00 H new ATOM 0 HA ARG A 55 93.987 -8.023 15.861 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.234 -7.206 14.932 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.994 -8.602 14.195 1.00 0.00 H new ATOM 0 HG2 ARG A 55 90.986 -9.672 16.007 1.00 0.00 H new ATOM 0 HG3 ARG A 55 92.507 -9.250 16.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 91.321 -6.989 17.403 1.00 0.00 H new ATOM 0 HD3 ARG A 55 89.830 -7.820 17.007 1.00 0.00 H new ATOM 0 HE ARG A 55 91.614 -9.271 18.877 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.933 -7.067 18.349 1.00 0.00 H new ATOM 0 HH12 ARG A 55 88.233 -7.329 19.950 1.00 0.00 H new ATOM 0 HH21 ARG A 55 90.702 -9.598 20.934 1.00 0.00 H new ATOM 0 HH22 ARG A 55 89.225 -8.747 21.398 1.00 0.00 H new ATOM 894 N PRO A 56 94.723 -8.047 13.408 1.00 0.00 N ATOM 895 CA PRO A 56 95.444 -7.913 12.105 1.00 0.00 C ATOM 896 C PRO A 56 94.510 -7.687 10.919 1.00 0.00 C ATOM 897 O PRO A 56 93.315 -7.976 10.980 1.00 0.00 O ATOM 898 CB PRO A 56 96.214 -9.232 11.967 1.00 0.00 C ATOM 899 CG PRO A 56 95.490 -10.204 12.839 1.00 0.00 C ATOM 900 CD PRO A 56 94.901 -9.388 13.989 1.00 0.00 C ATOM 0 HA PRO A 56 96.091 -7.036 12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.232 -9.570 10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.251 -9.117 12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.705 -10.716 12.283 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.168 -10.971 13.213 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.954 -9.805 14.332 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.570 -9.366 14.849 1.00 0.00 H new ATOM 908 N PHE A 57 95.089 -7.175 9.838 1.00 0.00 N ATOM 909 CA PHE A 57 94.353 -6.904 8.607 1.00 0.00 C ATOM 910 C PHE A 57 95.115 -7.507 7.429 1.00 0.00 C ATOM 911 O PHE A 57 96.330 -7.675 7.506 1.00 0.00 O ATOM 912 CB PHE A 57 94.245 -5.388 8.389 1.00 0.00 C ATOM 913 CG PHE A 57 93.532 -4.737 9.555 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.205 -4.538 10.767 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.200 -4.327 9.421 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.544 -3.930 11.842 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.540 -3.722 10.496 1.00 0.00 C ATOM 918 CZ PHE A 57 92.210 -3.523 11.706 1.00 0.00 C ATOM 0 H PHE A 57 96.080 -6.936 9.790 1.00 0.00 H new ATOM 0 HA PHE A 57 93.356 -7.339 8.682 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.241 -4.958 8.277 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.705 -5.185 7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.233 -4.853 10.873 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.681 -4.478 8.486 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.063 -3.775 12.776 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.512 -3.409 10.391 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.700 -3.056 12.536 1.00 0.00 H new ATOM 928 N GLU A 58 94.423 -7.811 6.332 1.00 0.00 N ATOM 929 CA GLU A 58 95.100 -8.367 5.156 1.00 0.00 C ATOM 930 C GLU A 58 94.855 -7.455 3.961 1.00 0.00 C ATOM 931 O GLU A 58 93.739 -7.007 3.753 1.00 0.00 O ATOM 932 CB GLU A 58 94.590 -9.777 4.857 1.00 0.00 C ATOM 933 CG GLU A 58 94.767 -10.661 6.093 1.00 0.00 C ATOM 934 CD GLU A 58 93.931 -11.929 5.952 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.715 -12.350 4.828 1.00 0.00 O ATOM 936 OE2 GLU A 58 93.519 -12.459 6.970 1.00 0.00 O ATOM 0 H GLU A 58 93.416 -7.686 6.230 1.00 0.00 H new ATOM 0 HA GLU A 58 96.170 -8.429 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.539 -9.741 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.136 -10.200 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.818 -10.921 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.466 -10.115 6.987 1.00 0.00 H new ATOM 943 N ALA A 59 95.893 -7.150 3.193 1.00 0.00 N ATOM 944 CA ALA A 59 95.742 -6.255 2.050 1.00 0.00 C ATOM 945 C ALA A 59 96.022 -6.957 0.734 1.00 0.00 C ATOM 946 O ALA A 59 97.020 -7.661 0.589 1.00 0.00 O ATOM 947 CB ALA A 59 96.724 -5.090 2.194 1.00 0.00 C ATOM 0 H ALA A 59 96.839 -7.504 3.337 1.00 0.00 H new ATOM 0 HA ALA A 59 94.710 -5.906 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.617 -4.417 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.512 -4.547 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.743 -5.475 2.226 1.00 0.00 H new ATOM 953 N ARG A 60 95.157 -6.702 -0.240 1.00 0.00 N ATOM 954 CA ARG A 60 95.321 -7.255 -1.578 1.00 0.00 C ATOM 955 C ARG A 60 95.407 -6.106 -2.570 1.00 0.00 C ATOM 956 O ARG A 60 94.554 -5.219 -2.568 1.00 0.00 O ATOM 957 CB ARG A 60 94.126 -8.150 -1.949 1.00 0.00 C ATOM 958 CG ARG A 60 94.277 -9.558 -1.352 1.00 0.00 C ATOM 959 CD ARG A 60 94.689 -9.492 0.118 1.00 0.00 C ATOM 960 NE ARG A 60 94.258 -10.705 0.811 1.00 0.00 N ATOM 961 CZ ARG A 60 95.038 -11.313 1.704 1.00 0.00 C ATOM 962 NH1 ARG A 60 96.214 -10.825 1.994 1.00 0.00 N ATOM 963 NH2 ARG A 60 94.623 -12.399 2.295 1.00 0.00 N ATOM 0 H ARG A 60 94.332 -6.113 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 60 96.229 -7.858 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.203 -7.696 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.044 -8.219 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 60 93.335 -10.098 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 60 95.023 -10.118 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 60 95.771 -9.383 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.245 -8.616 0.590 1.00 0.00 H new ATOM 0 HE ARG A 60 93.338 -11.095 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 60 96.540 -9.974 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 60 96.807 -11.295 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 60 93.704 -12.781 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 60 95.218 -12.867 2.979 1.00 0.00 H new ATOM 977 N LEU A 61 96.441 -6.098 -3.403 1.00 0.00 N ATOM 978 CA LEU A 61 96.610 -5.019 -4.374 1.00 0.00 C ATOM 979 C LEU A 61 96.339 -5.520 -5.785 1.00 0.00 C ATOM 980 O LEU A 61 96.773 -6.607 -6.164 1.00 0.00 O ATOM 981 CB LEU A 61 98.034 -4.457 -4.294 1.00 0.00 C ATOM 982 CG LEU A 61 98.482 -4.380 -2.832 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.919 -3.861 -2.768 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.563 -3.426 -2.067 1.00 0.00 C ATOM 0 H LEU A 61 97.167 -6.814 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 61 95.896 -4.231 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.717 -5.091 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.069 -3.466 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 61 98.432 -5.372 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.240 -3.805 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.575 -4.538 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 99.968 -2.869 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.881 -3.371 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.614 -2.434 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.538 -3.793 -2.114 1.00 0.00 H new ATOM 996 N TYR A 62 95.617 -4.714 -6.559 1.00 0.00 N ATOM 997 CA TYR A 62 95.291 -5.075 -7.934 1.00 0.00 C ATOM 998 C TYR A 62 95.846 -4.032 -8.903 1.00 0.00 C ATOM 999 O TYR A 62 95.359 -2.899 -8.962 1.00 0.00 O ATOM 1000 CB TYR A 62 93.770 -5.181 -8.109 1.00 0.00 C ATOM 1001 CG TYR A 62 93.158 -5.891 -6.920 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.155 -5.275 -5.662 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.592 -7.165 -7.076 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.587 -5.933 -4.562 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.023 -7.819 -5.972 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.023 -7.203 -4.718 1.00 0.00 C ATOM 1007 OH TYR A 62 91.465 -7.848 -3.633 1.00 0.00 O ATOM 0 H TYR A 62 95.249 -3.811 -6.259 1.00 0.00 H new ATOM 0 HA TYR A 62 95.745 -6.042 -8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.337 -4.186 -8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.538 -5.724 -9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.590 -4.294 -5.540 1.00 0.00 H new ATOM 0 HD2 TYR A 62 92.594 -7.642 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.585 -5.458 -3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 62 91.585 -8.799 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 62 91.693 -8.801 -3.666 1.00 0.00 H new ATOM 1017 N LEU A 63 96.863 -4.430 -9.666 1.00 0.00 N ATOM 1018 CA LEU A 63 97.481 -3.539 -10.645 1.00 0.00 C ATOM 1019 C LEU A 63 97.026 -3.933 -12.048 1.00 0.00 C ATOM 1020 O LEU A 63 96.061 -3.377 -12.574 1.00 0.00 O ATOM 1021 CB LEU A 63 99.012 -3.620 -10.536 1.00 0.00 C ATOM 1022 CG LEU A 63 99.642 -2.339 -11.092 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.166 -2.444 -11.003 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.231 -2.151 -12.557 1.00 0.00 C ATOM 0 H LEU A 63 97.275 -5.362 -9.625 1.00 0.00 H new ATOM 0 HA LEU A 63 97.174 -2.512 -10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.305 -3.758 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.379 -4.485 -11.087 1.00 0.00 H new ATOM 0 HG LEU A 63 99.296 -1.485 -10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.617 -1.534 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.462 -2.573 -9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.506 -3.300 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 63 99.682 -1.239 -12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 63 99.573 -3.004 -13.143 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.146 -2.077 -12.624 1.00 0.00 H new ATOM 1036 N GLY A 64 97.708 -4.909 -12.641 1.00 0.00 N ATOM 1037 CA GLY A 64 97.339 -5.383 -13.968 1.00 0.00 C ATOM 1038 C GLY A 64 96.108 -6.271 -13.866 1.00 0.00 C ATOM 1039 O GLY A 64 95.550 -6.434 -12.782 1.00 0.00 O ATOM 0 H GLY A 64 98.511 -5.382 -12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.137 -4.537 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.166 -5.939 -14.410 1.00 0.00 H new ATOM 1043 N LEU A 65 95.674 -6.841 -14.985 1.00 0.00 N ATOM 1044 CA LEU A 65 94.496 -7.698 -14.957 1.00 0.00 C ATOM 1045 C LEU A 65 94.845 -9.060 -14.360 1.00 0.00 C ATOM 1046 O LEU A 65 94.011 -9.694 -13.712 1.00 0.00 O ATOM 1047 CB LEU A 65 93.923 -7.867 -16.372 1.00 0.00 C ATOM 1048 CG LEU A 65 92.791 -6.857 -16.606 1.00 0.00 C ATOM 1049 CD1 LEU A 65 92.635 -6.597 -18.106 1.00 0.00 C ATOM 1050 CD2 LEU A 65 91.479 -7.420 -16.051 1.00 0.00 C ATOM 0 H LEU A 65 96.108 -6.729 -15.901 1.00 0.00 H new ATOM 0 HA LEU A 65 93.739 -7.227 -14.330 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.710 -7.721 -17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.548 -8.882 -16.502 1.00 0.00 H new ATOM 0 HG LEU A 65 93.032 -5.923 -16.098 1.00 0.00 H new ATOM 0 HD11 LEU A 65 91.831 -5.880 -18.269 1.00 0.00 H new ATOM 0 HD12 LEU A 65 93.566 -6.195 -18.504 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.397 -7.531 -18.614 1.00 0.00 H new ATOM 0 HD21 LEU A 65 90.676 -6.702 -16.218 1.00 0.00 H new ATOM 0 HD22 LEU A 65 91.241 -8.355 -16.558 1.00 0.00 H new ATOM 0 HD23 LEU A 65 91.585 -7.604 -14.982 1.00 0.00 H new ATOM 1062 N ASP A 66 96.079 -9.509 -14.581 1.00 0.00 N ATOM 1063 CA ASP A 66 96.554 -10.791 -14.076 1.00 0.00 C ATOM 1064 C ASP A 66 97.474 -10.601 -12.872 1.00 0.00 C ATOM 1065 O ASP A 66 98.117 -11.550 -12.423 1.00 0.00 O ATOM 1066 CB ASP A 66 97.365 -11.467 -15.183 1.00 0.00 C ATOM 1067 CG ASP A 66 96.504 -11.639 -16.430 1.00 0.00 C ATOM 1068 OD1 ASP A 66 95.605 -10.837 -16.621 1.00 0.00 O ATOM 1069 OD2 ASP A 66 96.755 -12.572 -17.176 1.00 0.00 O ATOM 0 H ASP A 66 96.777 -8.992 -15.116 1.00 0.00 H new ATOM 0 HA ASP A 66 95.694 -11.390 -13.776 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.245 -10.868 -15.418 1.00 0.00 H new ATOM 0 HB3 ASP A 66 97.723 -12.438 -14.841 1.00 0.00 H new ATOM 1074 N VAL A 67 97.556 -9.372 -12.365 1.00 0.00 N ATOM 1075 CA VAL A 67 98.433 -9.086 -11.227 1.00 0.00 C ATOM 1076 C VAL A 67 97.651 -8.952 -9.932 1.00 0.00 C ATOM 1077 O VAL A 67 97.156 -7.879 -9.587 1.00 0.00 O ATOM 1078 CB VAL A 67 99.246 -7.808 -11.491 1.00 0.00 C ATOM 1079 CG1 VAL A 67 99.774 -7.227 -10.170 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.436 -8.137 -12.401 1.00 0.00 C ATOM 0 H VAL A 67 97.035 -8.568 -12.716 1.00 0.00 H new ATOM 0 HA VAL A 67 99.114 -9.930 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 67 98.598 -7.075 -11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.347 -6.323 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 67 98.935 -6.985 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.415 -7.960 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.012 -7.231 -12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.072 -8.878 -11.915 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.071 -8.537 -13.347 1.00 0.00 H new ATOM 1090 N LEU A 68 97.582 -10.059 -9.209 1.00 0.00 N ATOM 1091 CA LEU A 68 96.906 -10.096 -7.926 1.00 0.00 C ATOM 1092 C LEU A 68 97.955 -10.308 -6.839 1.00 0.00 C ATOM 1093 O LEU A 68 98.650 -11.324 -6.827 1.00 0.00 O ATOM 1094 CB LEU A 68 95.873 -11.236 -7.920 1.00 0.00 C ATOM 1095 CG LEU A 68 95.620 -11.730 -6.485 1.00 0.00 C ATOM 1096 CD1 LEU A 68 94.115 -11.802 -6.215 1.00 0.00 C ATOM 1097 CD2 LEU A 68 96.230 -13.125 -6.301 1.00 0.00 C ATOM 0 H LEU A 68 97.990 -10.949 -9.494 1.00 0.00 H new ATOM 0 HA LEU A 68 96.378 -9.160 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 68 94.938 -10.889 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.230 -12.061 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 68 96.082 -11.032 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 68 93.944 -12.153 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 68 93.676 -10.812 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 68 93.652 -12.493 -6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 68 96.048 -13.470 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 68 95.772 -13.818 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 68 97.304 -13.079 -6.482 1.00 0.00 H new ATOM 1109 N ILE A 69 98.081 -9.337 -5.940 1.00 0.00 N ATOM 1110 CA ILE A 69 99.070 -9.426 -4.866 1.00 0.00 C ATOM 1111 C ILE A 69 98.380 -9.535 -3.510 1.00 0.00 C ATOM 1112 O ILE A 69 97.346 -8.912 -3.276 1.00 0.00 O ATOM 1113 CB ILE A 69 99.984 -8.194 -4.921 1.00 0.00 C ATOM 1114 CG1 ILE A 69 100.829 -8.256 -6.210 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.909 -8.157 -3.691 1.00 0.00 C ATOM 1116 CD1 ILE A 69 100.894 -6.874 -6.870 1.00 0.00 C ATOM 0 H ILE A 69 97.518 -8.487 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 69 99.674 -10.323 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 69 99.374 -7.291 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 69 101.836 -8.603 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.396 -8.977 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.551 -7.278 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.306 -8.112 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.526 -9.056 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.493 -6.932 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.886 -6.543 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.349 -6.163 -6.181 1.00 0.00 H new ATOM 1128 N ARG A 70 98.975 -10.323 -2.611 1.00 0.00 N ATOM 1129 CA ARG A 70 98.428 -10.502 -1.266 1.00 0.00 C ATOM 1130 C ARG A 70 99.496 -10.244 -0.204 1.00 0.00 C ATOM 1131 O ARG A 70 100.609 -10.778 -0.277 1.00 0.00 O ATOM 1132 CB ARG A 70 97.862 -11.918 -1.105 1.00 0.00 C ATOM 1133 CG ARG A 70 97.010 -12.284 -2.332 1.00 0.00 C ATOM 1134 CD ARG A 70 95.751 -13.032 -1.885 1.00 0.00 C ATOM 1135 NE ARG A 70 96.110 -14.221 -1.122 1.00 0.00 N ATOM 1136 CZ ARG A 70 95.182 -14.953 -0.514 1.00 0.00 C ATOM 1137 NH1 ARG A 70 93.925 -14.612 -0.595 1.00 0.00 N ATOM 1138 NH2 ARG A 70 95.528 -16.013 0.164 1.00 0.00 N ATOM 0 H ARG A 70 99.833 -10.845 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 70 97.624 -9.779 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.676 -12.634 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.257 -11.976 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 70 96.734 -11.381 -2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 70 97.589 -12.904 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 70 95.128 -12.377 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 70 95.160 -13.316 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 70 97.090 -14.496 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 70 93.654 -13.784 -1.125 1.00 0.00 H new ATOM 0 HH12 ARG A 70 93.213 -15.174 -0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 70 96.510 -16.280 0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 70 94.816 -16.575 0.631 1.00 0.00 H new ATOM 1152 N MET A 71 99.144 -9.430 0.790 1.00 0.00 N ATOM 1153 CA MET A 71 100.065 -9.104 1.875 1.00 0.00 C ATOM 1154 C MET A 71 99.313 -9.063 3.201 1.00 0.00 C ATOM 1155 O MET A 71 98.143 -8.692 3.244 1.00 0.00 O ATOM 1156 CB MET A 71 100.723 -7.731 1.641 1.00 0.00 C ATOM 1157 CG MET A 71 100.892 -7.451 0.142 1.00 0.00 C ATOM 1158 SD MET A 71 101.093 -5.668 -0.129 1.00 0.00 S ATOM 1159 CE MET A 71 102.232 -5.318 1.236 1.00 0.00 C ATOM 0 H MET A 71 98.229 -8.985 0.866 1.00 0.00 H new ATOM 0 HA MET A 71 100.837 -9.873 1.903 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.113 -6.949 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.696 -7.701 2.132 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.760 -7.987 -0.242 1.00 0.00 H new ATOM 0 HG3 MET A 71 100.023 -7.816 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.713 -4.354 1.071 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.678 -5.291 2.174 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.992 -6.098 1.285 1.00 0.00 H new ATOM 1169 N GLU A 72 99.998 -9.413 4.285 1.00 0.00 N ATOM 1170 CA GLU A 72 99.381 -9.371 5.607 1.00 0.00 C ATOM 1171 C GLU A 72 99.885 -8.121 6.306 1.00 0.00 C ATOM 1172 O GLU A 72 101.076 -7.817 6.228 1.00 0.00 O ATOM 1173 CB GLU A 72 99.747 -10.618 6.413 1.00 0.00 C ATOM 1174 CG GLU A 72 98.835 -10.727 7.639 1.00 0.00 C ATOM 1175 CD GLU A 72 99.143 -9.609 8.628 1.00 0.00 C ATOM 1176 OE1 GLU A 72 100.281 -9.170 8.661 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.236 -9.206 9.339 1.00 0.00 O ATOM 0 H GLU A 72 100.969 -9.725 4.276 1.00 0.00 H new ATOM 0 HA GLU A 72 98.295 -9.348 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.644 -11.507 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.790 -10.567 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.791 -10.671 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.974 -11.695 8.119 1.00 0.00 H new ATOM 1184 N ILE A 73 99.005 -7.363 6.944 1.00 0.00 N ATOM 1185 CA ILE A 73 99.449 -6.125 7.576 1.00 0.00 C ATOM 1186 C ILE A 73 98.729 -5.819 8.884 1.00 0.00 C ATOM 1187 O ILE A 73 97.615 -6.279 9.127 1.00 0.00 O ATOM 1188 CB ILE A 73 99.201 -4.982 6.598 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.685 -4.743 6.482 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.771 -5.363 5.231 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.368 -3.830 5.291 1.00 0.00 C ATOM 0 H ILE A 73 98.011 -7.571 7.038 1.00 0.00 H new ATOM 0 HA ILE A 73 100.505 -6.240 7.819 1.00 0.00 H new ATOM 0 HB ILE A 73 99.686 -4.072 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.170 -5.696 6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.312 -4.292 7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.598 -4.551 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.842 -5.543 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.280 -6.267 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.291 -3.675 5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.866 -2.870 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.722 -4.296 4.371 1.00 0.00 H new ATOM 1203 N SER A 74 99.389 -5.007 9.707 1.00 0.00 N ATOM 1204 CA SER A 74 98.835 -4.584 10.990 1.00 0.00 C ATOM 1205 C SER A 74 98.737 -3.058 11.024 1.00 0.00 C ATOM 1206 O SER A 74 99.529 -2.364 10.386 1.00 0.00 O ATOM 1207 CB SER A 74 99.723 -5.082 12.136 1.00 0.00 C ATOM 1208 OG SER A 74 99.062 -6.145 12.809 1.00 0.00 O ATOM 0 H SER A 74 100.314 -4.627 9.506 1.00 0.00 H new ATOM 0 HA SER A 74 97.839 -5.010 11.111 1.00 0.00 H new ATOM 0 HB2 SER A 74 100.683 -5.422 11.747 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.931 -4.269 12.831 1.00 0.00 H new ATOM 0 HG SER A 74 99.626 -6.469 13.542 1.00 0.00 H new ATOM 1214 N LEU A 75 97.762 -2.540 11.764 1.00 0.00 N ATOM 1215 CA LEU A 75 97.584 -1.093 11.852 1.00 0.00 C ATOM 1216 C LEU A 75 98.769 -0.458 12.576 1.00 0.00 C ATOM 1217 O LEU A 75 99.073 -0.794 13.721 1.00 0.00 O ATOM 1218 CB LEU A 75 96.265 -0.748 12.554 1.00 0.00 C ATOM 1219 CG LEU A 75 95.769 0.623 12.082 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.252 0.531 10.643 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.637 1.096 12.994 1.00 0.00 C ATOM 0 H LEU A 75 97.093 -3.089 12.304 1.00 0.00 H new ATOM 0 HA LEU A 75 97.540 -0.687 10.841 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.517 -1.510 12.337 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.408 -0.741 13.634 1.00 0.00 H new ATOM 0 HG LEU A 75 96.597 1.331 12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.902 1.511 10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.057 0.198 9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.428 -0.182 10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.283 2.071 12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.816 0.380 12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.003 1.175 14.018 1.00 0.00 H new ATOM 1233 N ALA A 76 99.404 0.495 11.892 1.00 0.00 N ATOM 1234 CA ALA A 76 100.532 1.230 12.455 1.00 0.00 C ATOM 1235 C ALA A 76 100.080 2.582 13.021 1.00 0.00 C ATOM 1236 O ALA A 76 100.497 2.989 14.105 1.00 0.00 O ATOM 1237 CB ALA A 76 101.616 1.413 11.394 1.00 0.00 C ATOM 0 H ALA A 76 99.153 0.775 10.944 1.00 0.00 H new ATOM 0 HA ALA A 76 100.948 0.652 13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.455 1.962 11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.959 0.437 11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.209 1.971 10.551 1.00 0.00 H new ATOM 1243 N TRP A 77 99.233 3.272 12.254 1.00 0.00 N ATOM 1244 CA TRP A 77 98.723 4.592 12.647 1.00 0.00 C ATOM 1245 C TRP A 77 97.572 5.006 11.725 1.00 0.00 C ATOM 1246 O TRP A 77 97.363 4.399 10.675 1.00 0.00 O ATOM 1247 CB TRP A 77 99.851 5.628 12.523 1.00 0.00 C ATOM 1248 CG TRP A 77 100.247 5.678 11.087 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.250 4.962 10.532 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.653 6.456 10.003 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.270 5.203 9.177 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.315 6.125 8.804 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.600 7.385 9.941 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.960 6.696 7.584 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.234 7.966 8.713 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.918 7.625 7.536 1.00 0.00 C ATOM 0 H TRP A 77 98.884 2.940 11.355 1.00 0.00 H new ATOM 0 HA TRP A 77 98.366 4.543 13.676 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.513 6.607 12.863 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.700 5.349 13.147 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.925 4.308 11.064 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.914 4.753 8.527 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.069 7.655 10.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.487 6.422 6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.423 8.678 8.676 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.640 8.079 6.597 1.00 0.00 H new ATOM 1267 N ALA A 78 96.851 6.060 12.106 1.00 0.00 N ATOM 1268 CA ALA A 78 95.750 6.569 11.286 1.00 0.00 C ATOM 1269 C ALA A 78 95.657 8.085 11.429 1.00 0.00 C ATOM 1270 O ALA A 78 95.525 8.593 12.542 1.00 0.00 O ATOM 1271 CB ALA A 78 94.438 5.946 11.768 1.00 0.00 C ATOM 0 H ALA A 78 97.007 6.576 12.972 1.00 0.00 H new ATOM 0 HA ALA A 78 95.929 6.312 10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.613 6.320 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.494 4.861 11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.271 6.212 12.812 1.00 0.00 H new ATOM 1277 N ARG A 79 95.725 8.814 10.315 1.00 0.00 N ATOM 1278 CA ARG A 79 95.641 10.271 10.391 1.00 0.00 C ATOM 1279 C ARG A 79 95.068 10.903 9.117 1.00 0.00 C ATOM 1280 O ARG A 79 95.506 10.593 8.009 1.00 0.00 O ATOM 1281 CB ARG A 79 97.034 10.847 10.681 1.00 0.00 C ATOM 1282 CG ARG A 79 96.918 12.236 11.318 1.00 0.00 C ATOM 1283 CD ARG A 79 98.290 12.681 11.837 1.00 0.00 C ATOM 1284 NE ARG A 79 98.420 14.130 11.740 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.495 14.736 10.559 1.00 0.00 C ATOM 1286 NH1 ARG A 79 98.439 14.032 9.461 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.615 16.034 10.497 1.00 0.00 N ATOM 0 H ARG A 79 95.835 8.433 9.375 1.00 0.00 H new ATOM 0 HA ARG A 79 94.952 10.515 11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.579 10.179 11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.607 10.911 9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.545 12.953 10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.199 12.213 12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.414 12.366 12.873 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.079 12.198 11.260 1.00 0.00 H new ATOM 0 HE ARG A 79 98.454 14.688 12.593 1.00 0.00 H new ATOM 0 HH11 ARG A 79 98.338 13.018 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 79 98.496 14.496 8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.651 16.584 11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 79 98.672 16.498 9.591 1.00 0.00 H new ATOM 1301 N ASP A 80 94.131 11.838 9.293 1.00 0.00 N ATOM 1302 CA ASP A 80 93.553 12.569 8.163 1.00 0.00 C ATOM 1303 C ASP A 80 92.927 11.665 7.105 1.00 0.00 C ATOM 1304 O ASP A 80 93.140 11.873 5.909 1.00 0.00 O ATOM 1305 CB ASP A 80 94.633 13.442 7.513 1.00 0.00 C ATOM 1306 CG ASP A 80 94.891 14.679 8.368 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.163 15.646 8.211 1.00 0.00 O ATOM 1308 OD2 ASP A 80 95.814 14.643 9.164 1.00 0.00 O ATOM 0 H ASP A 80 93.758 12.106 10.204 1.00 0.00 H new ATOM 0 HA ASP A 80 92.747 13.180 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.554 12.870 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.318 13.741 6.513 1.00 0.00 H new ATOM 1313 N GLY A 81 92.119 10.697 7.521 1.00 0.00 N ATOM 1314 CA GLY A 81 91.442 9.832 6.559 1.00 0.00 C ATOM 1315 C GLY A 81 92.323 8.699 6.051 1.00 0.00 C ATOM 1316 O GLY A 81 91.812 7.656 5.642 1.00 0.00 O ATOM 0 H GLY A 81 91.918 10.492 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.550 9.411 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.108 10.432 5.712 1.00 0.00 H new ATOM 1320 N LEU A 82 93.636 8.889 6.057 1.00 0.00 N ATOM 1321 CA LEU A 82 94.529 7.846 5.568 1.00 0.00 C ATOM 1322 C LEU A 82 94.921 6.907 6.701 1.00 0.00 C ATOM 1323 O LEU A 82 94.914 7.290 7.871 1.00 0.00 O ATOM 1324 CB LEU A 82 95.783 8.474 4.953 1.00 0.00 C ATOM 1325 CG LEU A 82 95.412 9.778 4.245 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.648 10.350 3.550 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.328 9.501 3.201 1.00 0.00 C ATOM 0 H LEU A 82 94.099 9.736 6.387 1.00 0.00 H new ATOM 0 HA LEU A 82 94.006 7.272 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.523 8.668 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.239 7.781 4.245 1.00 0.00 H new ATOM 0 HG LEU A 82 95.040 10.495 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.384 11.279 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.423 10.547 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 82 97.019 9.632 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.063 10.430 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.702 8.784 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.446 9.091 3.693 1.00 0.00 H new ATOM 1339 N LEU A 83 95.252 5.672 6.342 1.00 0.00 N ATOM 1340 CA LEU A 83 95.634 4.671 7.328 1.00 0.00 C ATOM 1341 C LEU A 83 96.979 4.057 6.986 1.00 0.00 C ATOM 1342 O LEU A 83 97.222 3.704 5.833 1.00 0.00 O ATOM 1343 CB LEU A 83 94.605 3.538 7.294 1.00 0.00 C ATOM 1344 CG LEU A 83 93.191 4.103 7.419 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.180 2.968 7.233 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.002 4.732 8.804 1.00 0.00 C ATOM 0 H LEU A 83 95.263 5.341 5.377 1.00 0.00 H new ATOM 0 HA LEU A 83 95.685 5.154 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.700 2.979 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.798 2.838 8.107 1.00 0.00 H new ATOM 0 HG LEU A 83 93.036 4.866 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.168 3.364 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.311 2.522 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.340 2.209 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.992 5.133 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.155 3.974 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.724 5.537 8.940 1.00 0.00 H new ATOM 1358 N GLY A 84 97.848 3.905 7.973 1.00 0.00 N ATOM 1359 CA GLY A 84 99.145 3.304 7.722 1.00 0.00 C ATOM 1360 C GLY A 84 99.123 1.844 8.119 1.00 0.00 C ATOM 1361 O GLY A 84 98.350 1.435 8.986 1.00 0.00 O ATOM 0 H GLY A 84 97.682 4.185 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.401 3.399 6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.915 3.831 8.285 1.00 0.00 H new ATOM 1365 N PHE A 85 99.961 1.057 7.473 1.00 0.00 N ATOM 1366 CA PHE A 85 100.013 -0.365 7.761 1.00 0.00 C ATOM 1367 C PHE A 85 101.431 -0.897 7.627 1.00 0.00 C ATOM 1368 O PHE A 85 102.134 -0.566 6.671 1.00 0.00 O ATOM 1369 CB PHE A 85 99.110 -1.102 6.776 1.00 0.00 C ATOM 1370 CG PHE A 85 97.671 -0.990 7.212 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.193 -1.798 8.248 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.814 -0.088 6.575 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.857 -1.703 8.649 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.477 0.007 6.975 1.00 0.00 C ATOM 1375 CZ PHE A 85 95.000 -0.800 8.011 1.00 0.00 C ATOM 0 H PHE A 85 100.610 1.373 6.752 1.00 0.00 H new ATOM 0 HA PHE A 85 99.678 -0.526 8.786 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.229 -0.683 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.401 -2.151 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.856 -2.496 8.739 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.184 0.535 5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.487 -2.326 9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.814 0.704 6.483 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.968 -0.727 8.320 1.00 0.00 H new ATOM 1385 N GLU A 86 101.850 -1.733 8.573 1.00 0.00 N ATOM 1386 CA GLU A 86 103.188 -2.310 8.524 1.00 0.00 C ATOM 1387 C GLU A 86 103.082 -3.760 8.057 1.00 0.00 C ATOM 1388 O GLU A 86 102.296 -4.536 8.601 1.00 0.00 O ATOM 1389 CB GLU A 86 103.829 -2.273 9.914 1.00 0.00 C ATOM 1390 CG GLU A 86 105.290 -2.724 9.824 1.00 0.00 C ATOM 1391 CD GLU A 86 105.845 -2.971 11.222 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.476 -3.971 11.817 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.630 -2.157 11.680 1.00 0.00 O ATOM 0 H GLU A 86 101.289 -2.023 9.374 1.00 0.00 H new ATOM 0 HA GLU A 86 103.805 -1.735 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.775 -1.264 10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.280 -2.923 10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.362 -3.634 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.884 -1.963 9.317 1.00 0.00 H new ATOM 1400 N CYS A 87 103.847 -4.117 7.032 1.00 0.00 N ATOM 1401 CA CYS A 87 103.791 -5.473 6.492 1.00 0.00 C ATOM 1402 C CYS A 87 104.471 -6.484 7.411 1.00 0.00 C ATOM 1403 O CYS A 87 105.642 -6.337 7.761 1.00 0.00 O ATOM 1404 CB CYS A 87 104.451 -5.513 5.112 1.00 0.00 C ATOM 1405 SG CYS A 87 103.759 -6.882 4.153 1.00 0.00 S ATOM 0 H CYS A 87 104.506 -3.496 6.562 1.00 0.00 H new ATOM 0 HA CYS A 87 102.739 -5.748 6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.286 -4.570 4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.529 -5.636 5.216 1.00 0.00 H new ATOM 0 HG CYS A 87 102.717 -7.359 4.767 1.00 0.00 H new ATOM 1411 N GLN A 88 103.722 -7.519 7.785 1.00 0.00 N ATOM 1412 CA GLN A 88 104.247 -8.571 8.650 1.00 0.00 C ATOM 1413 C GLN A 88 104.659 -9.783 7.817 1.00 0.00 C ATOM 1414 O GLN A 88 105.606 -10.489 8.159 1.00 0.00 O ATOM 1415 CB GLN A 88 103.189 -8.987 9.675 1.00 0.00 C ATOM 1416 CG GLN A 88 102.456 -7.745 10.188 1.00 0.00 C ATOM 1417 CD GLN A 88 103.457 -6.758 10.779 1.00 0.00 C ATOM 1418 OE1 GLN A 88 104.489 -7.165 11.314 1.00 0.00 O ATOM 1419 NE2 GLN A 88 103.212 -5.478 10.716 1.00 0.00 N ATOM 0 H GLN A 88 102.751 -7.651 7.503 1.00 0.00 H new ATOM 0 HA GLN A 88 105.121 -8.185 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.480 -9.679 9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.660 -9.513 10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.906 -7.274 9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.724 -8.030 10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 88 102.357 -5.144 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.876 -4.812 11.110 1.00 0.00 H new ATOM 1428 N HIS A 89 103.946 -10.011 6.714 1.00 0.00 N ATOM 1429 CA HIS A 89 104.257 -11.133 5.835 1.00 0.00 C ATOM 1430 C HIS A 89 103.623 -10.917 4.461 1.00 0.00 C ATOM 1431 O HIS A 89 102.515 -10.407 4.350 1.00 0.00 O ATOM 1432 CB HIS A 89 103.774 -12.452 6.469 1.00 0.00 C ATOM 1433 CG HIS A 89 102.555 -12.985 5.759 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.541 -13.244 4.397 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.307 -13.326 6.216 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.321 -13.718 4.086 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.530 -13.788 5.159 1.00 0.00 N ATOM 0 H HIS A 89 103.157 -9.439 6.412 1.00 0.00 H new ATOM 0 HA HIS A 89 105.337 -11.196 5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.574 -13.192 6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.543 -12.289 7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.978 -13.248 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 89 101.019 -14.007 3.090 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.563 -14.111 5.196 1.00 0.00 H new ATOM 1445 N ILE A 90 104.349 -11.305 3.422 1.00 0.00 N ATOM 1446 CA ILE A 90 103.879 -11.154 2.047 1.00 0.00 C ATOM 1447 C ILE A 90 104.373 -12.317 1.192 1.00 0.00 C ATOM 1448 O ILE A 90 105.492 -12.805 1.356 1.00 0.00 O ATOM 1449 CB ILE A 90 104.344 -9.813 1.473 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.043 -9.760 -0.031 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.847 -9.650 1.713 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.450 -8.394 -0.584 1.00 0.00 C ATOM 0 H ILE A 90 105.273 -11.730 3.504 1.00 0.00 H new ATOM 0 HA ILE A 90 102.789 -11.166 2.040 1.00 0.00 H new ATOM 0 HB ILE A 90 103.811 -9.001 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.586 -10.551 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.981 -9.934 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.179 -8.696 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.050 -9.677 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.384 -10.461 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.237 -8.356 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.888 -7.612 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.517 -8.239 -0.421 1.00 0.00 H new ATOM 1464 N ASP A 91 103.493 -12.768 0.295 1.00 0.00 N ATOM 1465 CA ASP A 91 103.791 -13.900 -0.582 1.00 0.00 C ATOM 1466 C ASP A 91 105.089 -13.697 -1.363 1.00 0.00 C ATOM 1467 O ASP A 91 105.391 -12.599 -1.828 1.00 0.00 O ATOM 1468 CB ASP A 91 102.628 -14.130 -1.560 1.00 0.00 C ATOM 1469 CG ASP A 91 101.407 -13.327 -1.122 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.127 -13.311 0.064 1.00 0.00 O ATOM 1471 OD2 ASP A 91 100.772 -12.740 -1.982 1.00 0.00 O ATOM 0 H ASP A 91 102.566 -12.365 0.158 1.00 0.00 H new ATOM 0 HA ASP A 91 103.920 -14.777 0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 91 102.925 -13.835 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.380 -15.191 -1.599 1.00 0.00 H new ATOM 1476 N LEU A 92 105.845 -14.782 -1.489 1.00 0.00 N ATOM 1477 CA LEU A 92 107.116 -14.741 -2.205 1.00 0.00 C ATOM 1478 C LEU A 92 106.907 -14.177 -3.609 1.00 0.00 C ATOM 1479 O LEU A 92 107.698 -13.362 -4.086 1.00 0.00 O ATOM 1480 CB LEU A 92 107.716 -16.148 -2.295 1.00 0.00 C ATOM 1481 CG LEU A 92 109.146 -16.072 -2.843 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.103 -15.582 -1.749 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.583 -17.463 -3.311 1.00 0.00 C ATOM 0 H LEU A 92 105.602 -15.696 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 92 107.805 -14.096 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.719 -16.615 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.102 -16.774 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 92 109.172 -15.374 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.116 -15.531 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.795 -14.592 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 92 110.079 -16.274 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.599 -17.413 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.551 -18.156 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.910 -17.811 -4.095 1.00 0.00 H new ATOM 1495 N ASP A 93 105.829 -14.602 -4.257 1.00 0.00 N ATOM 1496 CA ASP A 93 105.516 -14.122 -5.596 1.00 0.00 C ATOM 1497 C ASP A 93 105.098 -12.658 -5.533 1.00 0.00 C ATOM 1498 O ASP A 93 105.478 -11.854 -6.384 1.00 0.00 O ATOM 1499 CB ASP A 93 104.387 -14.955 -6.205 1.00 0.00 C ATOM 1500 CG ASP A 93 103.114 -14.792 -5.382 1.00 0.00 C ATOM 1501 OD1 ASP A 93 102.980 -15.488 -4.390 1.00 0.00 O ATOM 1502 OD2 ASP A 93 102.292 -13.971 -5.756 1.00 0.00 O ATOM 0 H ASP A 93 105.161 -15.274 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 93 106.403 -14.218 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.207 -14.642 -7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.676 -16.005 -6.238 1.00 0.00 H new ATOM 1507 N SER A 94 104.321 -12.319 -4.507 1.00 0.00 N ATOM 1508 CA SER A 94 103.862 -10.948 -4.326 1.00 0.00 C ATOM 1509 C SER A 94 105.051 -10.032 -4.062 1.00 0.00 C ATOM 1510 O SER A 94 105.077 -8.885 -4.508 1.00 0.00 O ATOM 1511 CB SER A 94 102.888 -10.878 -3.152 1.00 0.00 C ATOM 1512 OG SER A 94 101.592 -11.256 -3.596 1.00 0.00 O ATOM 0 H SER A 94 103.999 -12.972 -3.793 1.00 0.00 H new ATOM 0 HA SER A 94 103.354 -10.622 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.218 -11.539 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 94 102.865 -9.868 -2.743 1.00 0.00 H new ATOM 0 HG SER A 94 101.315 -12.076 -3.136 1.00 0.00 H new ATOM 1518 N ILE A 95 106.036 -10.554 -3.341 1.00 0.00 N ATOM 1519 CA ILE A 95 107.232 -9.785 -3.029 1.00 0.00 C ATOM 1520 C ILE A 95 107.908 -9.340 -4.316 1.00 0.00 C ATOM 1521 O ILE A 95 108.453 -8.239 -4.400 1.00 0.00 O ATOM 1522 CB ILE A 95 108.218 -10.630 -2.208 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.742 -10.705 -0.754 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.611 -9.991 -2.255 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.656 -11.636 0.050 1.00 0.00 C ATOM 0 H ILE A 95 106.030 -11.502 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 95 106.938 -8.913 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 95 108.266 -11.634 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.743 -9.709 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.715 -11.069 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.307 -10.593 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 95 109.953 -9.940 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.564 -8.985 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.310 -11.683 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.633 -12.635 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.676 -11.253 0.027 1.00 0.00 H new ATOM 1537 N SER A 96 107.881 -10.215 -5.315 1.00 0.00 N ATOM 1538 CA SER A 96 108.515 -9.900 -6.587 1.00 0.00 C ATOM 1539 C SER A 96 107.735 -8.824 -7.340 1.00 0.00 C ATOM 1540 O SER A 96 108.335 -7.919 -7.915 1.00 0.00 O ATOM 1541 CB SER A 96 108.660 -11.151 -7.448 1.00 0.00 C ATOM 1542 OG SER A 96 109.980 -11.218 -7.967 1.00 0.00 O ATOM 0 H SER A 96 107.435 -11.131 -5.270 1.00 0.00 H new ATOM 0 HA SER A 96 109.511 -9.512 -6.372 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.445 -12.040 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.938 -11.130 -8.264 1.00 0.00 H new ATOM 0 HG SER A 96 110.074 -12.022 -8.519 1.00 0.00 H new ATOM 1548 N HIS A 97 106.411 -8.908 -7.343 1.00 0.00 N ATOM 1549 CA HIS A 97 105.632 -7.900 -8.049 1.00 0.00 C ATOM 1550 C HIS A 97 105.890 -6.530 -7.423 1.00 0.00 C ATOM 1551 O HIS A 97 105.975 -5.523 -8.123 1.00 0.00 O ATOM 1552 CB HIS A 97 104.145 -8.233 -8.013 1.00 0.00 C ATOM 1553 CG HIS A 97 103.822 -9.289 -9.032 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.495 -8.973 -10.341 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.747 -10.655 -8.945 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.238 -10.125 -10.983 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.378 -11.183 -10.179 1.00 0.00 N ATOM 0 H HIS A 97 105.868 -9.638 -6.881 1.00 0.00 H new ATOM 0 HA HIS A 97 105.942 -7.884 -9.094 1.00 0.00 H new ATOM 0 HB2 HIS A 97 103.867 -8.581 -7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.559 -7.335 -8.212 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.944 -11.234 -8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 97 102.953 -10.188 -12.023 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.244 -12.165 -10.418 1.00 0.00 H new ATOM 1565 N LEU A 98 106.054 -6.504 -6.106 1.00 0.00 N ATOM 1566 CA LEU A 98 106.354 -5.258 -5.407 1.00 0.00 C ATOM 1567 C LEU A 98 107.751 -4.780 -5.801 1.00 0.00 C ATOM 1568 O LEU A 98 107.987 -3.577 -5.909 1.00 0.00 O ATOM 1569 CB LEU A 98 106.258 -5.448 -3.883 1.00 0.00 C ATOM 1570 CG LEU A 98 104.910 -4.923 -3.372 1.00 0.00 C ATOM 1571 CD1 LEU A 98 103.770 -5.812 -3.889 1.00 0.00 C ATOM 1572 CD2 LEU A 98 104.915 -4.933 -1.839 1.00 0.00 C ATOM 0 H LEU A 98 105.985 -7.324 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 98 105.621 -4.505 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 98 106.365 -6.503 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 98 107.074 -4.919 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 98 104.757 -3.906 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 98 102.817 -5.432 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 98 103.768 -5.804 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 98 103.915 -6.832 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 98 103.959 -4.561 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 98 105.070 -5.951 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 98 105.719 -4.294 -1.474 1.00 0.00 H new ATOM 1584 N ARG A 99 108.666 -5.710 -6.048 1.00 0.00 N ATOM 1585 CA ARG A 99 110.011 -5.324 -6.465 1.00 0.00 C ATOM 1586 C ARG A 99 109.936 -4.626 -7.822 1.00 0.00 C ATOM 1587 O ARG A 99 110.661 -3.667 -8.085 1.00 0.00 O ATOM 1588 CB ARG A 99 110.912 -6.559 -6.568 1.00 0.00 C ATOM 1589 CG ARG A 99 111.528 -6.866 -5.200 1.00 0.00 C ATOM 1590 CD ARG A 99 111.960 -8.334 -5.153 1.00 0.00 C ATOM 1591 NE ARG A 99 112.286 -8.808 -6.497 1.00 0.00 N ATOM 1592 CZ ARG A 99 113.278 -9.670 -6.711 1.00 0.00 C ATOM 1593 NH1 ARG A 99 114.000 -10.106 -5.715 1.00 0.00 N ATOM 1594 NH2 ARG A 99 113.530 -10.081 -7.925 1.00 0.00 N ATOM 0 H ARG A 99 108.509 -6.715 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 99 110.434 -4.645 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.334 -7.414 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.700 -6.386 -7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 99 112.386 -6.217 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 99 110.805 -6.663 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 99 112.826 -8.445 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.161 -8.942 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 99 111.740 -8.470 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 99 113.806 -9.786 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 99 114.758 -10.766 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 99 112.968 -9.742 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 99 114.289 -10.741 -8.093 1.00 0.00 H new ATOM 1608 N ARG A 100 109.033 -5.113 -8.668 1.00 0.00 N ATOM 1609 CA ARG A 100 108.828 -4.539 -9.996 1.00 0.00 C ATOM 1610 C ARG A 100 108.403 -3.077 -9.899 1.00 0.00 C ATOM 1611 O ARG A 100 108.922 -2.222 -10.616 1.00 0.00 O ATOM 1612 CB ARG A 100 107.743 -5.326 -10.736 1.00 0.00 C ATOM 1613 CG ARG A 100 108.245 -6.746 -11.014 1.00 0.00 C ATOM 1614 CD ARG A 100 107.149 -7.565 -11.709 1.00 0.00 C ATOM 1615 NE ARG A 100 107.180 -8.948 -11.241 1.00 0.00 N ATOM 1616 CZ ARG A 100 108.248 -9.717 -11.432 1.00 0.00 C ATOM 1617 NH1 ARG A 100 109.292 -9.242 -12.057 1.00 0.00 N ATOM 1618 NH2 ARG A 100 108.251 -10.947 -10.997 1.00 0.00 N ATOM 0 H ARG A 100 108.429 -5.907 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 100 109.771 -4.596 -10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 100 106.832 -5.361 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 100 107.491 -4.828 -11.672 1.00 0.00 H new ATOM 0 HG2 ARG A 100 109.136 -6.709 -11.641 1.00 0.00 H new ATOM 0 HG3 ARG A 100 108.533 -7.228 -10.080 1.00 0.00 H new ATOM 0 HD2 ARG A 100 106.172 -7.126 -11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 100 107.292 -7.536 -12.789 1.00 0.00 H new ATOM 0 HE ARG A 100 106.367 -9.331 -10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 100 109.288 -8.281 -12.399 1.00 0.00 H new ATOM 0 HH12 ARG A 100 110.111 -9.832 -12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 100 107.435 -11.318 -10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 100 109.070 -11.538 -11.143 1.00 0.00 H new ATOM 1632 N LEU A 101 107.453 -2.797 -9.009 1.00 0.00 N ATOM 1633 CA LEU A 101 106.969 -1.430 -8.837 1.00 0.00 C ATOM 1634 C LEU A 101 108.105 -0.539 -8.346 1.00 0.00 C ATOM 1635 O LEU A 101 108.195 0.633 -8.711 1.00 0.00 O ATOM 1636 CB LEU A 101 105.804 -1.399 -7.830 1.00 0.00 C ATOM 1637 CG LEU A 101 104.458 -1.376 -8.568 1.00 0.00 C ATOM 1638 CD1 LEU A 101 103.356 -1.892 -7.639 1.00 0.00 C ATOM 1639 CD2 LEU A 101 104.127 0.058 -8.995 1.00 0.00 C ATOM 0 H LEU A 101 107.009 -3.488 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 101 106.611 -1.059 -9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 101 105.854 -2.272 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 101 105.891 -0.520 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 101 104.522 -2.013 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 101 102.401 -1.875 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 101 103.585 -2.913 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 101 103.296 -1.255 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 101 103.171 0.070 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 101 104.066 0.695 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 101 104.908 0.430 -9.658 1.00 0.00 H new ATOM 1651 N VAL A 102 108.974 -1.111 -7.521 1.00 0.00 N ATOM 1652 CA VAL A 102 110.109 -0.374 -6.985 1.00 0.00 C ATOM 1653 C VAL A 102 111.111 -0.053 -8.090 1.00 0.00 C ATOM 1654 O VAL A 102 111.655 1.048 -8.150 1.00 0.00 O ATOM 1655 CB VAL A 102 110.799 -1.208 -5.901 1.00 0.00 C ATOM 1656 CG1 VAL A 102 112.071 -0.493 -5.437 1.00 0.00 C ATOM 1657 CG2 VAL A 102 109.851 -1.398 -4.708 1.00 0.00 C ATOM 0 H VAL A 102 108.914 -2.081 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 102 109.745 0.560 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 102 111.060 -2.184 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.561 -1.087 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.747 -0.367 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 102 111.811 0.485 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.347 -1.992 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 102 109.583 -0.424 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 102 108.949 -1.913 -5.039 1.00 0.00 H new ATOM 1667 N GLU A 103 111.356 -1.033 -8.952 1.00 0.00 N ATOM 1668 CA GLU A 103 112.306 -0.865 -10.047 1.00 0.00 C ATOM 1669 C GLU A 103 111.835 0.186 -11.049 1.00 0.00 C ATOM 1670 O GLU A 103 112.624 1.020 -11.496 1.00 0.00 O ATOM 1671 CB GLU A 103 112.499 -2.199 -10.773 1.00 0.00 C ATOM 1672 CG GLU A 103 113.342 -3.139 -9.909 1.00 0.00 C ATOM 1673 CD GLU A 103 113.661 -4.413 -10.685 1.00 0.00 C ATOM 1674 OE1 GLU A 103 112.823 -4.834 -11.465 1.00 0.00 O ATOM 1675 OE2 GLU A 103 114.740 -4.948 -10.489 1.00 0.00 O ATOM 0 H GLU A 103 110.912 -1.950 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 103 113.249 -0.528 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 103 111.531 -2.653 -10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 103 112.989 -2.034 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.266 -2.643 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 103 112.804 -3.386 -8.994 1.00 0.00 H new ATOM 1682 N LEU A 104 110.561 0.134 -11.422 1.00 0.00 N ATOM 1683 CA LEU A 104 110.034 1.084 -12.398 1.00 0.00 C ATOM 1684 C LEU A 104 109.936 2.490 -11.814 1.00 0.00 C ATOM 1685 O LEU A 104 110.281 3.466 -12.479 1.00 0.00 O ATOM 1686 CB LEU A 104 108.651 0.633 -12.877 1.00 0.00 C ATOM 1687 CG LEU A 104 108.758 -0.724 -13.580 1.00 0.00 C ATOM 1688 CD1 LEU A 104 107.375 -1.377 -13.639 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.285 -0.533 -15.008 1.00 0.00 C ATOM 0 H LEU A 104 109.883 -0.543 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 104 110.726 1.111 -13.240 1.00 0.00 H new ATOM 0 HB2 LEU A 104 107.969 0.560 -12.030 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.234 1.374 -13.559 1.00 0.00 H new ATOM 0 HG LEU A 104 109.445 -1.361 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 104 107.450 -2.343 -14.139 1.00 0.00 H new ATOM 0 HD12 LEU A 104 106.997 -1.521 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 104 106.692 -0.733 -14.193 1.00 0.00 H new ATOM 0 HD21 LEU A 104 109.358 -1.502 -15.501 1.00 0.00 H new ATOM 0 HD22 LEU A 104 108.601 0.107 -15.566 1.00 0.00 H new ATOM 0 HD23 LEU A 104 110.270 -0.068 -14.973 1.00 0.00 H new ATOM 1701 N ASN A 105 109.458 2.598 -10.579 1.00 0.00 N ATOM 1702 CA ASN A 105 109.318 3.905 -9.946 1.00 0.00 C ATOM 1703 C ASN A 105 110.684 4.520 -9.660 1.00 0.00 C ATOM 1704 O ASN A 105 110.820 5.742 -9.587 1.00 0.00 O ATOM 1705 CB ASN A 105 108.528 3.770 -8.643 1.00 0.00 C ATOM 1706 CG ASN A 105 107.070 3.452 -8.951 1.00 0.00 C ATOM 1707 OD1 ASN A 105 106.781 2.421 -9.697 1.00 0.00 O flip ATOM 1708 ND2 ASN A 105 106.169 4.161 -8.501 1.00 0.00 N flip ATOM 0 H ASN A 105 109.165 1.809 -10.003 1.00 0.00 H new ATOM 0 HA ASN A 105 108.781 4.562 -10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 105 108.959 2.981 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 105 108.594 4.695 -8.070 1.00 0.00 H new ATOM 0 HD21 ASN A 105 106.397 4.966 -7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 105 105.195 3.943 -8.711 1.00 0.00 H new ATOM 1715 N LEU A 106 111.693 3.671 -9.503 1.00 0.00 N ATOM 1716 CA LEU A 106 113.043 4.153 -9.230 1.00 0.00 C ATOM 1717 C LEU A 106 113.483 5.128 -10.315 1.00 0.00 C ATOM 1718 O LEU A 106 114.278 6.036 -10.066 1.00 0.00 O ATOM 1719 CB LEU A 106 114.018 2.972 -9.170 1.00 0.00 C ATOM 1720 CG LEU A 106 115.385 3.444 -8.653 1.00 0.00 C ATOM 1721 CD1 LEU A 106 115.358 3.562 -7.127 1.00 0.00 C ATOM 1722 CD2 LEU A 106 116.459 2.431 -9.059 1.00 0.00 C ATOM 0 H LEU A 106 111.605 2.656 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 106 113.043 4.668 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 106 113.621 2.195 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 106 114.128 2.530 -10.160 1.00 0.00 H new ATOM 0 HG LEU A 106 115.611 4.419 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 106 116.332 3.897 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.596 4.283 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 106 115.127 2.590 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 106 117.430 2.764 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 106 116.223 1.458 -8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 106 116.489 2.349 -10.145 1.00 0.00 H new ATOM 1734 N GLY A 107 112.959 4.936 -11.523 1.00 0.00 N ATOM 1735 CA GLY A 107 113.301 5.803 -12.646 1.00 0.00 C ATOM 1736 C GLY A 107 114.266 5.106 -13.597 1.00 0.00 C ATOM 1737 O GLY A 107 115.068 4.270 -13.180 1.00 0.00 O ATOM 0 H GLY A 107 112.299 4.191 -11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 107 112.395 6.084 -13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 107 113.751 6.724 -12.276 1.00 0.00 H new ATOM 1741 N ASP A 108 114.181 5.452 -14.876 1.00 0.00 N ATOM 1742 CA ASP A 108 115.052 4.852 -15.881 1.00 0.00 C ATOM 1743 C ASP A 108 116.446 5.468 -15.818 1.00 0.00 C ATOM 1744 O ASP A 108 117.452 4.763 -15.908 1.00 0.00 O ATOM 1745 CB ASP A 108 114.460 5.060 -17.275 1.00 0.00 C ATOM 1746 CG ASP A 108 113.169 4.262 -17.417 1.00 0.00 C ATOM 1747 OD1 ASP A 108 113.035 3.263 -16.729 1.00 0.00 O ATOM 1748 OD2 ASP A 108 112.332 4.662 -18.211 1.00 0.00 O ATOM 0 H ASP A 108 113.523 6.140 -15.241 1.00 0.00 H new ATOM 0 HA ASP A 108 115.131 3.784 -15.677 1.00 0.00 H new ATOM 0 HB2 ASP A 108 114.263 6.119 -17.441 1.00 0.00 H new ATOM 0 HB3 ASP A 108 115.177 4.746 -18.034 1.00 0.00 H new ATOM 1753 N GLU A 109 116.500 6.787 -15.662 1.00 0.00 N ATOM 1754 CA GLU A 109 117.777 7.488 -15.589 1.00 0.00 C ATOM 1755 C GLU A 109 118.708 6.796 -14.596 1.00 0.00 C ATOM 1756 O GLU A 109 118.321 6.511 -13.463 1.00 0.00 O ATOM 1757 CB GLU A 109 117.549 8.941 -15.160 1.00 0.00 C ATOM 1758 CG GLU A 109 118.892 9.660 -15.010 1.00 0.00 C ATOM 1759 CD GLU A 109 119.687 9.569 -16.309 1.00 0.00 C ATOM 1760 OE1 GLU A 109 120.415 8.603 -16.468 1.00 0.00 O ATOM 1761 OE2 GLU A 109 119.556 10.467 -17.125 1.00 0.00 O ATOM 0 H GLU A 109 115.680 7.389 -15.584 1.00 0.00 H new ATOM 0 HA GLU A 109 118.241 7.472 -16.575 1.00 0.00 H new ATOM 0 HB2 GLU A 109 116.933 9.454 -15.898 1.00 0.00 H new ATOM 0 HB3 GLU A 109 117.005 8.969 -14.216 1.00 0.00 H new ATOM 0 HG2 GLU A 109 118.726 10.705 -14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 109 119.462 9.215 -14.194 1.00 0.00 H new ATOM 1768 N GLU A 110 119.936 6.527 -15.032 1.00 0.00 N ATOM 1769 CA GLU A 110 120.916 5.868 -14.174 1.00 0.00 C ATOM 1770 C GLU A 110 121.701 6.895 -13.364 1.00 0.00 C ATOM 1771 O GLU A 110 122.823 7.254 -13.718 1.00 0.00 O ATOM 1772 CB GLU A 110 121.882 5.041 -15.026 1.00 0.00 C ATOM 1773 CG GLU A 110 121.137 3.852 -15.634 1.00 0.00 C ATOM 1774 CD GLU A 110 120.873 2.798 -14.564 1.00 0.00 C ATOM 1775 OE1 GLU A 110 121.657 2.719 -13.632 1.00 0.00 O ATOM 1776 OE2 GLU A 110 119.890 2.086 -14.691 1.00 0.00 O ATOM 0 H GLU A 110 120.274 6.753 -15.967 1.00 0.00 H new ATOM 0 HA GLU A 110 120.384 5.212 -13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 110 122.308 5.660 -15.816 1.00 0.00 H new ATOM 0 HB3 GLU A 110 122.713 4.689 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 110 120.194 4.186 -16.067 1.00 0.00 H new ATOM 0 HG3 GLU A 110 121.725 3.420 -16.444 1.00 0.00 H new ATOM 1783 N LEU A 111 121.100 7.364 -12.275 1.00 0.00 N ATOM 1784 CA LEU A 111 121.749 8.351 -11.417 1.00 0.00 C ATOM 1785 C LEU A 111 123.073 7.809 -10.883 1.00 0.00 C ATOM 1786 O LEU A 111 123.149 6.668 -10.427 1.00 0.00 O ATOM 1787 CB LEU A 111 120.826 8.706 -10.244 1.00 0.00 C ATOM 1788 CG LEU A 111 119.792 9.751 -10.691 1.00 0.00 C ATOM 1789 CD1 LEU A 111 118.517 9.603 -9.858 1.00 0.00 C ATOM 1790 CD2 LEU A 111 120.366 11.159 -10.494 1.00 0.00 C ATOM 0 H LEU A 111 120.170 7.079 -11.966 1.00 0.00 H new ATOM 0 HA LEU A 111 121.949 9.246 -12.006 1.00 0.00 H new ATOM 0 HB2 LEU A 111 120.319 7.810 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 111 121.413 9.095 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 111 119.558 9.596 -11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 111 117.786 10.345 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 111 118.105 8.604 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 111 118.751 9.754 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 111 119.631 11.899 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 111 120.603 11.311 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 111 121.272 11.269 -11.089 1.00 0.00 H new ATOM 1802 N LEU A 112 124.112 8.637 -10.940 1.00 0.00 N ATOM 1803 CA LEU A 112 125.429 8.233 -10.456 1.00 0.00 C ATOM 1804 C LEU A 112 125.344 7.780 -9.000 1.00 0.00 C ATOM 1805 O LEU A 112 126.192 7.024 -8.525 1.00 0.00 O ATOM 1806 CB LEU A 112 126.414 9.405 -10.578 1.00 0.00 C ATOM 1807 CG LEU A 112 127.125 9.362 -11.939 1.00 0.00 C ATOM 1808 CD1 LEU A 112 128.081 8.159 -12.000 1.00 0.00 C ATOM 1809 CD2 LEU A 112 126.083 9.252 -13.061 1.00 0.00 C ATOM 0 H LEU A 112 124.069 9.585 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 112 125.783 7.400 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 112 125.882 10.350 -10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 112 127.149 9.357 -9.774 1.00 0.00 H new ATOM 0 HG LEU A 112 127.702 10.278 -12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 112 128.579 8.139 -12.969 1.00 0.00 H new ATOM 0 HD12 LEU A 112 128.827 8.247 -11.210 1.00 0.00 H new ATOM 0 HD13 LEU A 112 127.515 7.237 -11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 112 126.589 9.222 -14.026 1.00 0.00 H new ATOM 0 HD22 LEU A 112 125.500 8.341 -12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 112 125.419 10.116 -13.027 1.00 0.00 H new ATOM 1821 N GLU A 113 124.315 8.248 -8.298 1.00 0.00 N ATOM 1822 CA GLU A 113 124.126 7.886 -6.895 1.00 0.00 C ATOM 1823 C GLU A 113 122.666 7.526 -6.635 1.00 0.00 C ATOM 1824 O GLU A 113 121.818 7.664 -7.516 1.00 0.00 O ATOM 1825 CB GLU A 113 124.544 9.058 -5.992 1.00 0.00 C ATOM 1826 CG GLU A 113 125.823 8.699 -5.229 1.00 0.00 C ATOM 1827 CD GLU A 113 126.205 9.835 -4.287 1.00 0.00 C ATOM 1828 OE1 GLU A 113 126.542 10.900 -4.779 1.00 0.00 O ATOM 1829 OE2 GLU A 113 126.153 9.625 -3.086 1.00 0.00 O ATOM 0 H GLU A 113 123.603 8.875 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 113 124.748 7.020 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.708 9.952 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.744 9.290 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 113 125.672 7.781 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 113 126.634 8.510 -5.932 1.00 0.00 H new ATOM 1836 N ARG A 114 122.383 7.062 -5.423 1.00 0.00 N ATOM 1837 CA ARG A 114 121.021 6.684 -5.063 1.00 0.00 C ATOM 1838 C ARG A 114 120.952 6.237 -3.605 1.00 0.00 C ATOM 1839 O ARG A 114 121.975 6.110 -2.932 1.00 0.00 O ATOM 1840 CB ARG A 114 120.528 5.556 -5.975 1.00 0.00 C ATOM 1841 CG ARG A 114 121.604 4.471 -6.087 1.00 0.00 C ATOM 1842 CD ARG A 114 121.267 3.516 -7.237 1.00 0.00 C ATOM 1843 NE ARG A 114 120.292 2.523 -6.802 1.00 0.00 N ATOM 1844 CZ ARG A 114 119.605 1.803 -7.684 1.00 0.00 C ATOM 1845 NH1 ARG A 114 119.792 1.989 -8.962 1.00 0.00 N ATOM 1846 NH2 ARG A 114 118.745 0.913 -7.272 1.00 0.00 N ATOM 0 H ARG A 114 123.071 6.939 -4.680 1.00 0.00 H new ATOM 0 HA ARG A 114 120.379 7.556 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 114 119.608 5.129 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 114 120.293 5.951 -6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 114 122.578 4.929 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 114 121.672 3.917 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 114 120.870 4.079 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 114 122.173 3.019 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 114 120.134 2.378 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 114 120.464 2.686 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 114 119.266 1.438 -9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 114 118.599 0.769 -6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 114 118.218 0.361 -7.949 1.00 0.00 H new ATOM 1860 N GLU A 115 119.734 6.010 -3.125 1.00 0.00 N ATOM 1861 CA GLU A 115 119.523 5.585 -1.745 1.00 0.00 C ATOM 1862 C GLU A 115 119.925 4.125 -1.556 1.00 0.00 C ATOM 1863 O GLU A 115 119.232 3.363 -0.882 1.00 0.00 O ATOM 1864 CB GLU A 115 118.047 5.752 -1.385 1.00 0.00 C ATOM 1865 CG GLU A 115 117.701 7.241 -1.310 1.00 0.00 C ATOM 1866 CD GLU A 115 116.325 7.426 -0.679 1.00 0.00 C ATOM 1867 OE1 GLU A 115 115.419 6.705 -1.060 1.00 0.00 O ATOM 1868 OE2 GLU A 115 116.198 8.286 0.177 1.00 0.00 O ATOM 0 H GLU A 115 118.878 6.113 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 115 120.142 6.202 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 115 117.423 5.261 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 115 117.839 5.272 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 115 118.453 7.768 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 115 117.713 7.676 -2.309 1.00 0.00 H new ATOM 1875 N LEU A 116 121.036 3.739 -2.170 1.00 0.00 N ATOM 1876 CA LEU A 116 121.512 2.361 -2.082 1.00 0.00 C ATOM 1877 C LEU A 116 121.979 1.991 -0.669 1.00 0.00 C ATOM 1878 O LEU A 116 121.709 0.886 -0.198 1.00 0.00 O ATOM 1879 CB LEU A 116 122.670 2.150 -3.073 1.00 0.00 C ATOM 1880 CG LEU A 116 122.217 1.263 -4.242 1.00 0.00 C ATOM 1881 CD1 LEU A 116 123.222 1.381 -5.391 1.00 0.00 C ATOM 1882 CD2 LEU A 116 122.146 -0.199 -3.784 1.00 0.00 C ATOM 0 H LEU A 116 121.623 4.355 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 116 120.672 1.712 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.014 3.113 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.515 1.687 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 116 121.232 1.588 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 116 122.901 0.752 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 116 123.276 2.418 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 116 124.205 1.057 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 116 121.824 -0.826 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 116 123.130 -0.522 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 116 121.433 -0.289 -2.965 1.00 0.00 H new ATOM 1894 N ALA A 117 122.672 2.905 0.007 1.00 0.00 N ATOM 1895 CA ALA A 117 123.153 2.638 1.363 1.00 0.00 C ATOM 1896 C ALA A 117 122.015 2.600 2.383 1.00 0.00 C ATOM 1897 O ALA A 117 122.141 1.980 3.439 1.00 0.00 O ATOM 1898 CB ALA A 117 124.189 3.683 1.778 1.00 0.00 C ATOM 0 H ALA A 117 122.912 3.828 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 117 123.617 1.652 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 117 124.536 3.470 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 117 125.034 3.651 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 117 123.737 4.674 1.751 1.00 0.00 H new ATOM 1904 N LEU A 118 120.928 3.303 2.091 1.00 0.00 N ATOM 1905 CA LEU A 118 119.810 3.369 3.030 1.00 0.00 C ATOM 1906 C LEU A 118 119.291 1.979 3.386 1.00 0.00 C ATOM 1907 O LEU A 118 118.870 1.753 4.520 1.00 0.00 O ATOM 1908 CB LEU A 118 118.672 4.225 2.459 1.00 0.00 C ATOM 1909 CG LEU A 118 119.191 5.611 2.033 1.00 0.00 C ATOM 1910 CD1 LEU A 118 118.026 6.604 2.012 1.00 0.00 C ATOM 1911 CD2 LEU A 118 120.250 6.126 3.017 1.00 0.00 C ATOM 0 H LEU A 118 120.795 3.828 1.227 1.00 0.00 H new ATOM 0 HA LEU A 118 120.180 3.834 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 118 118.226 3.720 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 118 117.887 4.340 3.206 1.00 0.00 H new ATOM 0 HG LEU A 118 119.638 5.519 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 118 118.390 7.586 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 118 117.271 6.264 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 118 117.586 6.670 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 118 120.601 7.106 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 118 119.813 6.207 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 118 121.090 5.431 3.045 1.00 0.00 H new ATOM 1923 N LEU A 119 119.279 1.055 2.432 1.00 0.00 N ATOM 1924 CA LEU A 119 118.754 -0.277 2.714 1.00 0.00 C ATOM 1925 C LEU A 119 119.482 -0.887 3.908 1.00 0.00 C ATOM 1926 O LEU A 119 119.068 -1.917 4.440 1.00 0.00 O ATOM 1927 CB LEU A 119 118.922 -1.175 1.486 1.00 0.00 C ATOM 1928 CG LEU A 119 117.925 -0.752 0.398 1.00 0.00 C ATOM 1929 CD1 LEU A 119 118.492 -1.089 -0.983 1.00 0.00 C ATOM 1930 CD2 LEU A 119 116.599 -1.496 0.593 1.00 0.00 C ATOM 0 H LEU A 119 119.617 1.196 1.480 1.00 0.00 H new ATOM 0 HA LEU A 119 117.694 -0.194 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 119 119.941 -1.103 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 119 118.757 -2.217 1.760 1.00 0.00 H new ATOM 0 HG LEU A 119 117.755 0.322 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 119 117.781 -0.787 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 119 119.432 -0.558 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 119 118.667 -2.163 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.894 -1.193 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 119 116.771 -2.570 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 119 116.187 -1.255 1.573 1.00 0.00 H new ATOM 1942 N VAL A 120 120.567 -0.244 4.323 1.00 0.00 N ATOM 1943 CA VAL A 120 121.352 -0.724 5.455 1.00 0.00 C ATOM 1944 C VAL A 120 120.471 -0.855 6.698 1.00 0.00 C ATOM 1945 O VAL A 120 120.859 -1.482 7.684 1.00 0.00 O ATOM 1946 CB VAL A 120 122.454 0.305 5.746 1.00 0.00 C ATOM 1947 CG1 VAL A 120 123.024 0.076 7.152 1.00 0.00 C ATOM 1948 CG2 VAL A 120 123.579 0.156 4.713 1.00 0.00 C ATOM 0 H VAL A 120 120.923 0.610 3.894 1.00 0.00 H new ATOM 0 HA VAL A 120 121.775 -1.699 5.213 1.00 0.00 H new ATOM 0 HB VAL A 120 122.031 1.308 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 120 123.805 0.809 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 120 122.228 0.183 7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 120 123.444 -0.928 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 120 124.361 0.886 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 120 123.996 -0.849 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 120 123.179 0.325 3.713 1.00 0.00 H new ATOM 1958 N SER A 121 119.283 -0.257 6.639 1.00 0.00 N ATOM 1959 CA SER A 121 118.351 -0.310 7.760 1.00 0.00 C ATOM 1960 C SER A 121 117.633 -1.655 7.795 1.00 0.00 C ATOM 1961 O SER A 121 117.290 -2.160 8.864 1.00 0.00 O ATOM 1962 CB SER A 121 117.322 0.815 7.638 1.00 0.00 C ATOM 1963 OG SER A 121 116.225 0.364 6.853 1.00 0.00 O ATOM 0 H SER A 121 118.946 0.267 5.831 1.00 0.00 H new ATOM 0 HA SER A 121 118.916 -0.187 8.684 1.00 0.00 H new ATOM 0 HB2 SER A 121 116.977 1.117 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 121 117.777 1.692 7.178 1.00 0.00 H new ATOM 0 HG SER A 121 115.828 1.124 6.378 1.00 0.00 H new ATOM 1969 N ALA A 122 117.408 -2.229 6.617 1.00 0.00 N ATOM 1970 CA ALA A 122 116.728 -3.515 6.519 1.00 0.00 C ATOM 1971 C ALA A 122 116.946 -4.127 5.139 1.00 0.00 C ATOM 1972 O ALA A 122 117.257 -3.422 4.180 1.00 0.00 O ATOM 1973 CB ALA A 122 115.230 -3.335 6.770 1.00 0.00 C ATOM 0 H ALA A 122 117.685 -1.826 5.722 1.00 0.00 H new ATOM 0 HA ALA A 122 117.142 -4.185 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 122 114.730 -4.301 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 122 115.075 -2.923 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 122 114.816 -2.653 6.027 1.00 0.00 H new ATOM 1979 N HIS A 123 116.782 -5.445 5.045 1.00 0.00 N ATOM 1980 CA HIS A 123 116.963 -6.143 3.775 1.00 0.00 C ATOM 1981 C HIS A 123 115.655 -6.787 3.321 1.00 0.00 C ATOM 1982 O HIS A 123 115.122 -6.449 2.264 1.00 0.00 O ATOM 1983 CB HIS A 123 118.047 -7.216 3.918 1.00 0.00 C ATOM 1984 CG HIS A 123 117.592 -8.271 4.889 1.00 0.00 C ATOM 1985 ND1 HIS A 123 117.009 -9.457 4.471 1.00 0.00 N ATOM 1986 CD2 HIS A 123 117.626 -8.334 6.260 1.00 0.00 C ATOM 1987 CE1 HIS A 123 116.719 -10.177 5.570 1.00 0.00 C ATOM 1988 NE2 HIS A 123 117.074 -9.539 6.687 1.00 0.00 N ATOM 0 H HIS A 123 116.526 -6.047 5.827 1.00 0.00 H new ATOM 0 HA HIS A 123 117.271 -5.416 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 123 118.256 -7.667 2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 123 118.976 -6.764 4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 123 118.021 -7.566 6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 123 116.255 -11.152 5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 123 116.964 -9.864 7.648 1.00 0.00 H new ATOM 1996 N ASP A 124 115.146 -7.717 4.122 1.00 0.00 N ATOM 1997 CA ASP A 124 113.904 -8.404 3.788 1.00 0.00 C ATOM 1998 C ASP A 124 114.058 -9.167 2.475 1.00 0.00 C ATOM 1999 O ASP A 124 113.071 -9.539 1.840 1.00 0.00 O ATOM 2000 CB ASP A 124 112.761 -7.393 3.669 1.00 0.00 C ATOM 2001 CG ASP A 124 112.887 -6.336 4.762 1.00 0.00 C ATOM 2002 OD1 ASP A 124 112.952 -6.714 5.920 1.00 0.00 O ATOM 2003 OD2 ASP A 124 112.913 -5.163 4.424 1.00 0.00 O ATOM 0 H ASP A 124 115.571 -8.011 5.001 1.00 0.00 H new ATOM 0 HA ASP A 124 113.673 -9.113 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 124 112.784 -6.919 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 124 111.802 -7.904 3.754 1.00 0.00 H new ATOM 2008 N ASP A 125 115.307 -9.395 2.077 1.00 0.00 N ATOM 2009 CA ASP A 125 115.590 -10.115 0.839 1.00 0.00 C ATOM 2010 C ASP A 125 116.866 -10.938 0.978 1.00 0.00 C ATOM 2011 O ASP A 125 117.048 -11.851 0.190 1.00 0.00 O ATOM 2012 CB ASP A 125 115.742 -9.126 -0.318 1.00 0.00 C ATOM 2013 CG ASP A 125 115.991 -9.880 -1.619 1.00 0.00 C ATOM 2014 OD1 ASP A 125 115.752 -11.076 -1.642 1.00 0.00 O ATOM 2015 OD2 ASP A 125 116.416 -9.251 -2.574 1.00 0.00 O ATOM 2016 OXT ASP A 125 117.643 -10.644 1.872 1.00 0.00 O ATOM 0 H ASP A 125 116.135 -9.093 2.591 1.00 0.00 H new ATOM 0 HA ASP A 125 114.757 -10.788 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 125 114.842 -8.517 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 125 116.569 -8.445 -0.119 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 104.912 3.572 12.714 1.00 0.00 P HETATM 2023 O2P C2E A 501 104.704 2.623 13.831 1.00 0.00 O HETATM 2024 O1P C2E A 501 103.861 4.559 12.381 1.00 0.00 O HETATM 2025 O5' C2E A 501 105.246 2.720 11.386 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.354 1.293 11.442 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.109 0.738 10.235 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.166 0.258 9.267 1.00 0.00 O HETATM 2029 C3' C2E A 501 106.983 1.766 9.524 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.336 1.693 9.997 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.920 1.313 8.077 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.881 0.286 7.804 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.498 0.789 7.978 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.516 1.837 7.659 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.722 2.560 8.502 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.998 3.470 7.928 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.334 3.346 6.583 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.869 4.077 5.459 1.00 0.00 C HETATM 2039 O6 C2E A 501 102.069 5.006 5.437 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.460 3.635 4.283 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.386 2.618 4.197 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.831 2.323 2.977 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.828 1.930 5.254 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.261 2.347 6.409 1.00 0.00 C HETATM 2045 P11 C2E A 501 108.733 2.168 11.487 1.00 0.00 P HETATM 2046 O21 C2E A 501 107.494 2.458 12.236 1.00 0.00 O HETATM 2047 O11 C2E A 501 109.713 1.203 12.034 1.00 0.00 O HETATM 2048 O5A C2E A 501 109.493 3.562 11.225 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.769 4.725 10.810 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.201 5.495 12.003 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.568 6.881 11.915 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.676 5.461 12.140 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.284 4.372 12.984 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.396 6.779 12.831 1.00 0.00 C HETATM 2055 O2A C2E A 501 106.639 6.696 14.241 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.400 7.686 12.142 1.00 0.00 C HETATM 2057 N91 C2E A 501 106.962 8.188 10.823 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.335 7.755 9.582 1.00 0.00 C HETATM 2059 N71 C2E A 501 106.798 8.395 8.588 1.00 0.00 N HETATM 2060 C51 C2E A 501 105.989 9.338 9.214 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.147 10.328 8.643 1.00 0.00 C HETATM 2062 O61 C2E A 501 104.950 10.570 7.455 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.505 11.073 9.620 1.00 0.00 N HETATM 2064 C21 C2E A 501 104.651 10.889 10.982 1.00 0.00 C HETATM 2065 N21 C2E A 501 103.947 11.706 11.767 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.444 9.957 11.525 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.081 9.220 10.586 1.00 0.00 C HETATM 0 HO2A C2E A 501 106.491 5.776 14.545 1.00 0.00 H new HETATM 0 HO2' C2E A 501 108.349 0.490 6.967 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.344 12.417 11.353 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.012 11.620 12.781 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.518 1.579 2.851 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.485 2.841 2.169 1.00 0.00 H new HETATM 0 HN11 C2E A 501 103.876 11.814 9.310 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.427 5.377 10.236 1.00 0.00 H new HETATM 0 H511 C2E A 501 107.956 4.430 10.147 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 105.868 1.002 12.358 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 104.357 0.853 11.482 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.188 4.099 3.416 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.034 6.931 9.437 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.698 2.385 9.578 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.626 4.989 12.870 1.00 0.00 H new HETATM 0 H4' C2E A 501 106.755 -0.047 10.627 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.146 5.330 11.197 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.654 2.793 9.682 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.362 7.116 12.756 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.151 2.099 7.358 1.00 0.00 H new HETATM 0 H1A C2E A 501 107.554 8.558 12.778 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.458 0.052 7.176 1.00 0.00 H new HETATM 2090 P1 C2E A 502 101.926 13.008 3.015 1.00 0.00 P HETATM 2091 O2P C2E A 502 100.979 13.342 1.928 1.00 0.00 O HETATM 2092 O1P C2E A 502 102.787 11.809 2.902 1.00 0.00 O HETATM 2093 O5' C2E A 502 101.097 12.904 4.393 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.564 11.648 4.830 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.313 11.641 6.337 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.040 10.306 6.786 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.486 12.129 7.166 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.455 13.556 7.272 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.189 11.483 8.500 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.199 12.219 9.229 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.659 10.126 8.067 1.00 0.00 C HETATM 2102 N9 C2E A 502 101.705 9.094 7.934 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.346 8.621 6.821 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.209 7.675 7.046 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.136 7.493 8.423 1.00 0.00 C HETATM 2106 C6 C2E A 502 103.842 6.588 9.259 1.00 0.00 C HETATM 2107 O6 C2E A 502 104.687 5.756 8.938 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.470 6.727 10.589 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.537 7.626 11.060 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.314 7.613 12.375 1.00 0.00 N HETATM 2111 N3 C2E A 502 101.872 8.480 10.276 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.220 8.357 8.975 1.00 0.00 C HETATM 2113 P11 C2E A 502 102.592 14.349 8.090 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.032 15.652 8.513 1.00 0.00 O HETATM 2115 O11 C2E A 502 103.165 13.432 9.098 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.708 14.623 6.962 1.00 0.00 O HETATM 2117 C5A C2E A 502 103.606 15.765 6.108 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.306 15.535 4.772 1.00 0.00 C HETATM 2119 O4A C2E A 502 105.726 15.600 4.949 1.00 0.00 O HETATM 2120 C3A C2E A 502 104.009 14.184 4.135 1.00 0.00 C HETATM 2121 O3A C2E A 502 102.874 14.286 3.269 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.260 13.913 3.322 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.176 14.496 2.017 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.346 14.575 4.160 1.00 0.00 C HETATM 2125 N91 C2E A 502 107.029 13.654 5.082 1.00 0.00 N HETATM 2126 C81 C2E A 502 106.986 13.600 6.447 1.00 0.00 C HETATM 2127 N71 C2E A 502 107.757 12.704 6.984 1.00 0.00 N HETATM 2128 C51 C2E A 502 108.367 12.107 5.881 1.00 0.00 C HETATM 2129 C61 C2E A 502 109.322 11.058 5.829 1.00 0.00 C HETATM 2130 O61 C2E A 502 109.855 10.470 6.765 1.00 0.00 O HETATM 2131 N11 C2E A 502 109.676 10.753 4.522 1.00 0.00 N HETATM 2132 C21 C2E A 502 109.177 11.382 3.400 1.00 0.00 C HETATM 2133 N21 C2E A 502 109.639 10.951 2.226 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.282 12.372 3.447 1.00 0.00 N HETATM 2135 C41 C2E A 502 107.924 12.681 4.715 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.236 14.645 1.785 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.639 12.790 9.893 1.00 0.00 H new HETATM 0 HN24 C2E A 502 110.324 10.196 2.194 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.308 11.377 1.360 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.635 8.255 12.783 1.00 0.00 H new HETATM 0 HN21 C2E A 502 102.823 6.961 12.972 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.357 10.007 4.380 1.00 0.00 H new HETATM 0 H512 C2E A 502 102.555 15.996 5.933 1.00 0.00 H new HETATM 0 H511 C2E A 502 104.044 16.631 6.604 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.631 11.444 4.304 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 101.257 10.848 4.572 1.00 0.00 H new HETATM 0 HN1 C2E A 502 103.922 6.117 11.270 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.352 14.259 7.040 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.148 9.008 5.822 1.00 0.00 H new HETATM 0 H4A C2E A 502 103.924 16.317 4.115 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.473 12.320 6.480 1.00 0.00 H new HETATM 0 H3A C2E A 502 103.781 13.402 4.860 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.467 11.884 6.760 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.437 12.853 3.140 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.047 11.434 9.170 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.097 14.957 3.469 1.00 0.00 H new HETATM 0 H1' C2E A 502 99.970 9.775 8.835 1.00 0.00 H new