USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.06! C(o=-1.1!,f=-1.1!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 19 MET CE :methyl -148:sc= -0.285 (180deg=-1.63) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 179:sc= -1.59 USER MOD Single : A 29 CYS SG : rot 81:sc= 1.03 USER MOD Single : A 33 HIS : no HD1:sc= -17.2! C(o=-17!,f=-17!) USER MOD Single : A 38 THR OG1 : rot 175:sc= -2.67! USER MOD Single : A 40 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.92 K(o=-2.9,f=-4.7!) USER MOD Single : A 62 ASN : amide:sc= -9.25! C(o=-9.2!,f=-5.2!) USER MOD Single : A 68 SER OG : rot -79:sc= -0.357 USER MOD Single : A 69 TYR OH : rot -140:sc= -1.23 USER MOD Single : A 79 ASN : amide:sc= -4.49! C(o=-4.5!,f=-6.8!) USER MOD Single : A 86 THR OG1 : rot -113:sc= -1.8 USER MOD Single : A 88 TYR OH : rot 150:sc= -0.313 USER MOD Single : A 90 SER OG : rot -83:sc=-0.00396 USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 0.285 (180deg=0.143) USER MOD Single : A 95 THR OG1 : rot -141:sc= -0.464! USER MOD Single : A 97 TYR OH : rot 34:sc= 0.0124 USER MOD Single : A 98 SER OG : rot 70:sc= 1.08 USER MOD Single : A 99 ASN : amide:sc= -4.29! C(o=-4.3!,f=-1.7!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0982! USER MOD Single : A 105 LYS NZ :NH3+ 136:sc= -4.29! (180deg=-6.01!) USER MOD Single : A 110 SER OG : rot 80:sc= -0.133 USER MOD Single : A 118 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.65) USER MOD Single : A 120 SER OG : rot 9:sc= 0.54 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.117 31.263 4.880 1.00 0.00 N ATOM 2 CA GLY A 1 9.724 30.088 5.708 1.00 0.00 C ATOM 3 C GLY A 1 10.959 29.239 6.009 1.00 0.00 C ATOM 4 O GLY A 1 11.420 29.173 7.131 1.00 0.00 O ATOM 0 H1 GLY A 1 9.276 31.840 4.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.813 31.836 5.399 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.536 30.934 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.264 30.423 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.979 29.491 5.181 1.00 0.00 H new ATOM 10 N SER A 2 11.501 28.588 5.016 1.00 0.00 N ATOM 11 CA SER A 2 12.709 27.745 5.251 1.00 0.00 C ATOM 12 C SER A 2 12.521 26.892 6.508 1.00 0.00 C ATOM 13 O SER A 2 13.461 26.610 7.223 1.00 0.00 O ATOM 14 CB SER A 2 13.853 28.738 5.445 1.00 0.00 C ATOM 15 OG SER A 2 13.606 29.899 4.664 1.00 0.00 O ATOM 0 H SER A 2 11.161 28.603 4.054 1.00 0.00 H new ATOM 0 HA SER A 2 12.900 27.059 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.942 29.006 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.799 28.283 5.151 1.00 0.00 H new ATOM 0 HG SER A 2 14.338 30.539 4.788 1.00 0.00 H new ATOM 21 N HIS A 3 11.313 26.485 6.785 1.00 0.00 N ATOM 22 CA HIS A 3 11.065 25.657 8.001 1.00 0.00 C ATOM 23 C HIS A 3 9.866 24.721 7.771 1.00 0.00 C ATOM 24 O HIS A 3 9.358 24.107 8.689 1.00 0.00 O ATOM 25 CB HIS A 3 10.791 26.689 9.110 1.00 0.00 C ATOM 26 CG HIS A 3 9.837 26.136 10.136 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.245 25.269 11.137 1.00 0.00 N ATOM 28 CD2 HIS A 3 8.489 26.321 10.327 1.00 0.00 C ATOM 29 CE1 HIS A 3 9.162 24.967 11.878 1.00 0.00 C ATOM 30 NE2 HIS A 3 8.065 25.581 11.425 1.00 0.00 N ATOM 0 H HIS A 3 10.487 26.689 6.223 1.00 0.00 H new ATOM 0 HA HIS A 3 11.900 25.006 8.259 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.728 26.968 9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.375 27.597 8.673 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.855 26.947 9.717 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.178 24.309 12.734 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.120 25.520 11.803 1.00 0.00 H new ATOM 38 N MET A 4 9.415 24.599 6.552 1.00 0.00 N ATOM 39 CA MET A 4 8.257 23.701 6.272 1.00 0.00 C ATOM 40 C MET A 4 8.750 22.307 5.872 1.00 0.00 C ATOM 41 O MET A 4 9.766 22.162 5.222 1.00 0.00 O ATOM 42 CB MET A 4 7.521 24.360 5.104 1.00 0.00 C ATOM 43 CG MET A 4 6.125 24.794 5.555 1.00 0.00 C ATOM 44 SD MET A 4 6.134 26.567 5.915 1.00 0.00 S ATOM 45 CE MET A 4 4.988 27.063 4.605 1.00 0.00 C ATOM 0 H MET A 4 9.797 25.081 5.739 1.00 0.00 H new ATOM 0 HA MET A 4 7.615 23.573 7.143 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.083 25.223 4.747 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.444 23.663 4.270 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.394 24.573 4.777 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.826 24.233 6.441 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.842 28.143 4.639 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.400 26.782 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.030 26.563 4.751 1.00 0.00 H new ATOM 55 N THR A 5 8.035 21.282 6.250 1.00 0.00 N ATOM 56 CA THR A 5 8.461 19.900 5.884 1.00 0.00 C ATOM 57 C THR A 5 7.294 19.142 5.253 1.00 0.00 C ATOM 58 O THR A 5 6.149 19.531 5.374 1.00 0.00 O ATOM 59 CB THR A 5 8.869 19.235 7.200 1.00 0.00 C ATOM 60 OG1 THR A 5 8.021 19.695 8.244 1.00 0.00 O ATOM 61 CG2 THR A 5 10.321 19.589 7.525 1.00 0.00 C ATOM 0 H THR A 5 7.175 21.341 6.796 1.00 0.00 H new ATOM 0 HA THR A 5 9.277 19.905 5.162 1.00 0.00 H new ATOM 0 HB THR A 5 8.775 18.153 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.280 19.269 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.610 19.115 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.970 19.235 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.419 20.670 7.620 1.00 0.00 H new ATOM 69 N GLU A 6 7.575 18.059 4.586 1.00 0.00 N ATOM 70 CA GLU A 6 6.481 17.270 3.954 1.00 0.00 C ATOM 71 C GLU A 6 7.020 15.922 3.467 1.00 0.00 C ATOM 72 O GLU A 6 6.716 15.477 2.377 1.00 0.00 O ATOM 73 CB GLU A 6 6.004 18.118 2.774 1.00 0.00 C ATOM 74 CG GLU A 6 7.209 18.602 1.967 1.00 0.00 C ATOM 75 CD GLU A 6 7.201 20.131 1.901 1.00 0.00 C ATOM 76 OE1 GLU A 6 7.558 20.749 2.891 1.00 0.00 O ATOM 77 OE2 GLU A 6 6.837 20.657 0.862 1.00 0.00 O ATOM 0 H GLU A 6 8.514 17.685 4.451 1.00 0.00 H new ATOM 0 HA GLU A 6 5.670 17.057 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.340 17.533 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.430 18.971 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.133 18.253 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.177 18.184 0.961 1.00 0.00 H new ATOM 84 N ARG A 7 7.821 15.271 4.267 1.00 0.00 N ATOM 85 CA ARG A 7 8.384 13.954 3.854 1.00 0.00 C ATOM 86 C ARG A 7 7.901 12.847 4.797 1.00 0.00 C ATOM 87 O ARG A 7 8.469 11.774 4.850 1.00 0.00 O ATOM 88 CB ARG A 7 9.901 14.126 3.957 1.00 0.00 C ATOM 89 CG ARG A 7 10.269 14.674 5.339 1.00 0.00 C ATOM 90 CD ARG A 7 11.392 13.825 5.942 1.00 0.00 C ATOM 91 NE ARG A 7 11.652 14.424 7.281 1.00 0.00 N ATOM 92 CZ ARG A 7 11.083 13.922 8.342 1.00 0.00 C ATOM 93 NH1 ARG A 7 11.557 12.833 8.884 1.00 0.00 N ATOM 94 NH2 ARG A 7 10.039 14.509 8.862 1.00 0.00 N ATOM 0 H ARG A 7 8.110 15.595 5.190 1.00 0.00 H new ATOM 0 HA ARG A 7 8.072 13.668 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.397 13.169 3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.253 14.806 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.588 15.713 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.396 14.659 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.094 12.780 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.285 13.851 5.318 1.00 0.00 H new ATOM 0 HE ARG A 7 12.275 15.227 7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.373 12.374 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.112 12.441 9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.669 15.360 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.594 14.117 9.692 1.00 0.00 H new ATOM 108 N ARG A 8 6.864 13.100 5.547 1.00 0.00 N ATOM 109 CA ARG A 8 6.355 12.062 6.493 1.00 0.00 C ATOM 110 C ARG A 8 5.472 11.036 5.768 1.00 0.00 C ATOM 111 O ARG A 8 5.175 9.986 6.300 1.00 0.00 O ATOM 112 CB ARG A 8 5.534 12.840 7.521 1.00 0.00 C ATOM 113 CG ARG A 8 5.611 12.141 8.881 1.00 0.00 C ATOM 114 CD ARG A 8 6.689 12.805 9.742 1.00 0.00 C ATOM 115 NE ARG A 8 6.177 12.713 11.137 1.00 0.00 N ATOM 116 CZ ARG A 8 6.768 11.935 12.003 1.00 0.00 C ATOM 117 NH1 ARG A 8 6.659 10.639 11.897 1.00 0.00 N ATOM 118 NH2 ARG A 8 7.470 12.453 12.973 1.00 0.00 N ATOM 0 H ARG A 8 6.346 13.979 5.547 1.00 0.00 H new ATOM 0 HA ARG A 8 7.168 11.497 6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.910 13.860 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.496 12.908 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.646 12.196 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.840 11.084 8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.647 12.295 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.847 13.842 9.447 1.00 0.00 H new ATOM 0 HE ARG A 8 5.362 13.259 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.112 10.234 11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.121 10.031 12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.557 13.466 13.055 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.932 11.845 13.649 1.00 0.00 H new ATOM 132 N LEU A 9 5.041 11.327 4.569 1.00 0.00 N ATOM 133 CA LEU A 9 4.170 10.361 3.834 1.00 0.00 C ATOM 134 C LEU A 9 4.969 9.122 3.404 1.00 0.00 C ATOM 135 O LEU A 9 6.103 9.220 2.972 1.00 0.00 O ATOM 136 CB LEU A 9 3.666 11.130 2.614 1.00 0.00 C ATOM 137 CG LEU A 9 2.634 12.164 3.063 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.863 13.474 2.312 1.00 0.00 C ATOM 139 CD2 LEU A 9 1.229 11.641 2.760 1.00 0.00 C ATOM 0 H LEU A 9 5.253 12.189 4.067 1.00 0.00 H new ATOM 0 HA LEU A 9 3.351 9.998 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.498 11.623 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.221 10.443 1.894 1.00 0.00 H new ATOM 0 HG LEU A 9 2.736 12.339 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.127 14.211 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.865 13.846 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.761 13.302 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.490 12.376 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.129 11.467 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.065 10.706 3.296 1.00 0.00 H new ATOM 151 N ARG A 10 4.387 7.953 3.528 1.00 0.00 N ATOM 152 CA ARG A 10 5.115 6.707 3.140 1.00 0.00 C ATOM 153 C ARG A 10 4.149 5.717 2.473 1.00 0.00 C ATOM 154 O ARG A 10 3.114 5.388 3.012 1.00 0.00 O ATOM 155 CB ARG A 10 5.659 6.112 4.453 1.00 0.00 C ATOM 156 CG ARG A 10 5.760 7.184 5.551 1.00 0.00 C ATOM 157 CD ARG A 10 4.365 7.474 6.115 1.00 0.00 C ATOM 158 NE ARG A 10 4.558 7.598 7.586 1.00 0.00 N ATOM 159 CZ ARG A 10 3.685 8.250 8.302 1.00 0.00 C ATOM 160 NH1 ARG A 10 3.697 9.553 8.313 1.00 0.00 N ATOM 161 NH2 ARG A 10 2.800 7.600 9.007 1.00 0.00 N ATOM 0 H ARG A 10 3.441 7.810 3.881 1.00 0.00 H new ATOM 0 HA ARG A 10 5.915 6.914 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.006 5.306 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.642 5.674 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.422 6.843 6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.196 8.096 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.952 8.390 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.668 6.671 5.875 1.00 0.00 H new ATOM 0 HE ARG A 10 5.371 7.174 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.389 10.061 7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.015 10.065 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.790 6.580 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.118 8.112 9.567 1.00 0.00 H new ATOM 175 N VAL A 11 4.473 5.232 1.309 1.00 0.00 N ATOM 176 CA VAL A 11 3.555 4.263 0.638 1.00 0.00 C ATOM 177 C VAL A 11 4.324 3.013 0.201 1.00 0.00 C ATOM 178 O VAL A 11 5.013 3.015 -0.799 1.00 0.00 O ATOM 179 CB VAL A 11 3.003 5.011 -0.577 1.00 0.00 C ATOM 180 CG1 VAL A 11 4.150 5.367 -1.524 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.996 4.121 -1.308 1.00 0.00 C ATOM 0 H VAL A 11 5.324 5.459 0.795 1.00 0.00 H new ATOM 0 HA VAL A 11 2.759 3.925 1.302 1.00 0.00 H new ATOM 0 HB VAL A 11 2.509 5.925 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.755 5.900 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.868 6.001 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.645 4.454 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.602 4.653 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.490 3.207 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.177 3.868 -0.634 1.00 0.00 H new ATOM 191 N LEU A 12 4.209 1.942 0.944 1.00 0.00 N ATOM 192 CA LEU A 12 4.934 0.692 0.568 1.00 0.00 C ATOM 193 C LEU A 12 3.986 -0.262 -0.169 1.00 0.00 C ATOM 194 O LEU A 12 3.232 -0.989 0.439 1.00 0.00 O ATOM 195 CB LEU A 12 5.386 0.067 1.894 1.00 0.00 C ATOM 196 CG LEU A 12 5.916 1.147 2.842 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.086 1.160 4.117 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.377 0.850 3.186 1.00 0.00 C ATOM 0 H LEU A 12 3.646 1.879 1.792 1.00 0.00 H new ATOM 0 HA LEU A 12 5.777 0.892 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.551 -0.456 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.163 -0.675 1.707 1.00 0.00 H new ATOM 0 HG LEU A 12 5.847 2.121 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.465 1.929 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.046 1.373 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.152 0.187 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.755 1.618 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.446 -0.124 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.972 0.844 2.273 1.00 0.00 H new ATOM 210 N VAL A 13 4.025 -0.283 -1.473 1.00 0.00 N ATOM 211 CA VAL A 13 3.128 -1.205 -2.227 1.00 0.00 C ATOM 212 C VAL A 13 3.985 -2.254 -2.913 1.00 0.00 C ATOM 213 O VAL A 13 5.051 -1.959 -3.409 1.00 0.00 O ATOM 214 CB VAL A 13 2.412 -0.320 -3.247 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.253 -1.091 -3.882 1.00 0.00 C ATOM 216 CG2 VAL A 13 1.869 0.922 -2.538 1.00 0.00 C ATOM 0 H VAL A 13 4.637 0.296 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 13 2.409 -1.727 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 13 3.114 -0.025 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.747 -0.455 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.638 -1.979 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.547 -1.390 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.357 1.558 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.169 0.620 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.694 1.474 -2.089 1.00 0.00 H new ATOM 226 N VAL A 14 3.569 -3.482 -2.926 1.00 0.00 N ATOM 227 CA VAL A 14 4.432 -4.500 -3.561 1.00 0.00 C ATOM 228 C VAL A 14 3.635 -5.656 -4.159 1.00 0.00 C ATOM 229 O VAL A 14 2.524 -5.955 -3.764 1.00 0.00 O ATOM 230 CB VAL A 14 5.312 -5.000 -2.427 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.159 -3.851 -1.882 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.436 -5.570 -1.313 1.00 0.00 C ATOM 0 H VAL A 14 2.690 -3.819 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 14 4.993 -4.077 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 14 5.972 -5.782 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.787 -4.216 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.789 -3.454 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.506 -3.062 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.068 -5.928 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.771 -4.792 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.843 -6.397 -1.703 1.00 0.00 H new ATOM 242 N GLU A 15 4.241 -6.315 -5.102 1.00 0.00 N ATOM 243 CA GLU A 15 3.608 -7.485 -5.765 1.00 0.00 C ATOM 244 C GLU A 15 4.674 -8.229 -6.574 1.00 0.00 C ATOM 245 O GLU A 15 5.702 -7.689 -6.906 1.00 0.00 O ATOM 246 CB GLU A 15 2.512 -6.917 -6.666 1.00 0.00 C ATOM 247 CG GLU A 15 3.133 -6.137 -7.825 1.00 0.00 C ATOM 248 CD GLU A 15 2.396 -6.473 -9.122 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.492 -7.288 -9.072 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.747 -5.906 -10.142 1.00 0.00 O ATOM 0 H GLU A 15 5.172 -6.086 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 15 3.181 -8.195 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.893 -7.727 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.858 -6.264 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.075 -5.066 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.190 -6.387 -7.920 1.00 0.00 H new ATOM 257 N ASP A 16 4.452 -9.469 -6.868 1.00 0.00 N ATOM 258 CA ASP A 16 5.472 -10.262 -7.620 1.00 0.00 C ATOM 259 C ASP A 16 5.764 -9.717 -9.031 1.00 0.00 C ATOM 260 O ASP A 16 6.479 -10.343 -9.789 1.00 0.00 O ATOM 261 CB ASP A 16 4.854 -11.644 -7.726 1.00 0.00 C ATOM 262 CG ASP A 16 3.463 -11.519 -8.355 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.086 -10.408 -8.694 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.797 -12.532 -8.488 1.00 0.00 O ATOM 0 H ASP A 16 3.604 -9.980 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 16 6.432 -10.234 -7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.485 -12.293 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.782 -12.101 -6.739 1.00 0.00 H new ATOM 269 N GLU A 17 5.233 -8.590 -9.416 1.00 0.00 N ATOM 270 CA GLU A 17 5.520 -8.096 -10.793 1.00 0.00 C ATOM 271 C GLU A 17 6.039 -6.654 -10.774 1.00 0.00 C ATOM 272 O GLU A 17 5.902 -5.941 -9.800 1.00 0.00 O ATOM 273 CB GLU A 17 4.180 -8.178 -11.520 1.00 0.00 C ATOM 274 CG GLU A 17 3.789 -9.645 -11.707 1.00 0.00 C ATOM 275 CD GLU A 17 2.267 -9.775 -11.626 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.629 -8.800 -11.265 1.00 0.00 O ATOM 277 OE2 GLU A 17 1.767 -10.846 -11.927 1.00 0.00 O ATOM 0 H GLU A 17 4.624 -7.999 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 17 6.296 -8.686 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.412 -7.656 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.249 -7.683 -12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.146 -10.009 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.260 -10.260 -10.940 1.00 0.00 H new ATOM 284 N SER A 18 6.637 -6.226 -11.856 1.00 0.00 N ATOM 285 CA SER A 18 7.172 -4.835 -11.924 1.00 0.00 C ATOM 286 C SER A 18 6.064 -3.859 -12.325 1.00 0.00 C ATOM 287 O SER A 18 6.267 -2.662 -12.376 1.00 0.00 O ATOM 288 CB SER A 18 8.257 -4.883 -13.000 1.00 0.00 C ATOM 289 OG SER A 18 8.907 -6.144 -12.954 1.00 0.00 O ATOM 0 H SER A 18 6.778 -6.783 -12.699 1.00 0.00 H new ATOM 0 HA SER A 18 7.561 -4.495 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.817 -4.724 -13.984 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.979 -4.082 -12.840 1.00 0.00 H new ATOM 0 HG SER A 18 9.602 -6.179 -13.644 1.00 0.00 H new ATOM 295 N MET A 19 4.890 -4.356 -12.603 1.00 0.00 N ATOM 296 CA MET A 19 3.774 -3.447 -12.991 1.00 0.00 C ATOM 297 C MET A 19 3.500 -2.455 -11.857 1.00 0.00 C ATOM 298 O MET A 19 2.816 -1.467 -12.031 1.00 0.00 O ATOM 299 CB MET A 19 2.570 -4.366 -13.208 1.00 0.00 C ATOM 300 CG MET A 19 1.974 -4.113 -14.595 1.00 0.00 C ATOM 301 SD MET A 19 0.501 -5.140 -14.817 1.00 0.00 S ATOM 302 CE MET A 19 -0.556 -3.864 -15.542 1.00 0.00 C ATOM 0 H MET A 19 4.655 -5.348 -12.579 1.00 0.00 H new ATOM 0 HA MET A 19 4.000 -2.863 -13.883 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.874 -5.409 -13.117 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.818 -4.185 -12.440 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.716 -3.060 -14.705 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.710 -4.343 -15.366 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.592 -4.043 -15.254 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.243 -2.884 -15.181 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.470 -3.895 -16.628 1.00 0.00 H new ATOM 312 N ILE A 20 4.035 -2.718 -10.696 1.00 0.00 N ATOM 313 CA ILE A 20 3.822 -1.805 -9.536 1.00 0.00 C ATOM 314 C ILE A 20 5.071 -0.966 -9.284 1.00 0.00 C ATOM 315 O ILE A 20 5.078 -0.071 -8.463 1.00 0.00 O ATOM 316 CB ILE A 20 3.596 -2.737 -8.355 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.454 -1.906 -7.078 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.787 -3.692 -8.223 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.239 -2.830 -5.880 1.00 0.00 C ATOM 0 H ILE A 20 4.616 -3.533 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 20 2.993 -1.117 -9.703 1.00 0.00 H new ATOM 0 HB ILE A 20 2.687 -3.318 -8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.348 -1.300 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.615 -1.217 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.626 -4.360 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.885 -4.280 -9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.699 -3.117 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.139 -2.233 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.333 -3.416 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.092 -3.501 -5.780 1.00 0.00 H new ATOM 331 N ALA A 21 6.133 -1.271 -9.963 1.00 0.00 N ATOM 332 CA ALA A 21 7.395 -0.520 -9.749 1.00 0.00 C ATOM 333 C ALA A 21 7.295 0.903 -10.317 1.00 0.00 C ATOM 334 O ALA A 21 7.134 1.859 -9.586 1.00 0.00 O ATOM 335 CB ALA A 21 8.441 -1.347 -10.487 1.00 0.00 C ATOM 0 H ALA A 21 6.183 -2.012 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 21 7.637 -0.391 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.417 -0.872 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.480 -2.349 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.175 -1.413 -11.542 1.00 0.00 H new ATOM 341 N MET A 22 7.386 1.068 -11.607 1.00 0.00 N ATOM 342 CA MET A 22 7.290 2.445 -12.168 1.00 0.00 C ATOM 343 C MET A 22 5.843 2.915 -12.114 1.00 0.00 C ATOM 344 O MET A 22 5.548 4.087 -12.245 1.00 0.00 O ATOM 345 CB MET A 22 7.786 2.335 -13.612 1.00 0.00 C ATOM 346 CG MET A 22 7.524 3.646 -14.360 1.00 0.00 C ATOM 347 SD MET A 22 7.424 3.314 -16.136 1.00 0.00 S ATOM 348 CE MET A 22 5.645 3.597 -16.323 1.00 0.00 C ATOM 0 H MET A 22 7.521 0.321 -12.289 1.00 0.00 H new ATOM 0 HA MET A 22 7.882 3.169 -11.608 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.852 2.108 -13.622 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.280 1.512 -14.117 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.596 4.098 -14.010 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.322 4.360 -14.156 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.360 3.443 -17.364 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.097 2.899 -15.690 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.406 4.619 -16.028 1.00 0.00 H new ATOM 358 N LEU A 23 4.938 2.013 -11.881 1.00 0.00 N ATOM 359 CA LEU A 23 3.513 2.407 -11.775 1.00 0.00 C ATOM 360 C LEU A 23 3.326 3.228 -10.494 1.00 0.00 C ATOM 361 O LEU A 23 2.267 3.762 -10.230 1.00 0.00 O ATOM 362 CB LEU A 23 2.759 1.072 -11.717 1.00 0.00 C ATOM 363 CG LEU A 23 1.331 1.262 -11.191 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.359 1.428 -9.669 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.690 2.495 -11.837 1.00 0.00 C ATOM 0 H LEU A 23 5.125 1.018 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 23 3.155 3.024 -12.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.726 0.627 -12.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.297 0.376 -11.073 1.00 0.00 H new ATOM 0 HG LEU A 23 0.739 0.383 -11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.343 1.563 -9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.796 0.539 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.958 2.301 -9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.324 2.620 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.280 3.380 -11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.657 2.364 -12.919 1.00 0.00 H new ATOM 377 N ILE A 24 4.360 3.334 -9.695 1.00 0.00 N ATOM 378 CA ILE A 24 4.259 4.115 -8.435 1.00 0.00 C ATOM 379 C ILE A 24 5.124 5.375 -8.511 1.00 0.00 C ATOM 380 O ILE A 24 4.671 6.466 -8.224 1.00 0.00 O ATOM 381 CB ILE A 24 4.757 3.150 -7.343 1.00 0.00 C ATOM 382 CG1 ILE A 24 3.998 3.424 -6.043 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.257 3.319 -7.074 1.00 0.00 C ATOM 384 CD1 ILE A 24 3.705 2.101 -5.333 1.00 0.00 C ATOM 0 H ILE A 24 5.271 2.909 -9.867 1.00 0.00 H new ATOM 0 HA ILE A 24 3.246 4.463 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 24 4.581 2.133 -7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.587 4.073 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.066 3.948 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.568 2.620 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.816 3.118 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.455 4.339 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.164 2.297 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.099 1.467 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.643 1.595 -5.105 1.00 0.00 H new ATOM 396 N GLU A 25 6.367 5.241 -8.885 1.00 0.00 N ATOM 397 CA GLU A 25 7.244 6.442 -8.950 1.00 0.00 C ATOM 398 C GLU A 25 6.521 7.593 -9.651 1.00 0.00 C ATOM 399 O GLU A 25 6.863 8.745 -9.477 1.00 0.00 O ATOM 400 CB GLU A 25 8.475 6.001 -9.737 1.00 0.00 C ATOM 401 CG GLU A 25 9.397 5.199 -8.815 1.00 0.00 C ATOM 402 CD GLU A 25 10.846 5.380 -9.269 1.00 0.00 C ATOM 403 OE1 GLU A 25 11.316 6.505 -9.247 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.459 4.390 -9.632 1.00 0.00 O ATOM 0 H GLU A 25 6.809 4.360 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 25 7.516 6.807 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.177 5.394 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.001 6.871 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.282 5.535 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.125 4.144 -8.838 1.00 0.00 H new ATOM 411 N ASP A 26 5.521 7.299 -10.437 1.00 0.00 N ATOM 412 CA ASP A 26 4.792 8.393 -11.132 1.00 0.00 C ATOM 413 C ASP A 26 3.653 8.917 -10.255 1.00 0.00 C ATOM 414 O ASP A 26 3.232 10.049 -10.381 1.00 0.00 O ATOM 415 CB ASP A 26 4.261 7.762 -12.425 1.00 0.00 C ATOM 416 CG ASP A 26 2.938 7.039 -12.152 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.967 7.715 -11.850 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.919 5.823 -12.249 1.00 0.00 O ATOM 0 H ASP A 26 5.181 6.356 -10.626 1.00 0.00 H new ATOM 0 HA ASP A 26 5.432 9.250 -11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.114 8.533 -13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.993 7.060 -12.824 1.00 0.00 H new ATOM 423 N THR A 27 3.181 8.121 -9.340 1.00 0.00 N ATOM 424 CA THR A 27 2.115 8.596 -8.431 1.00 0.00 C ATOM 425 C THR A 27 2.821 9.086 -7.184 1.00 0.00 C ATOM 426 O THR A 27 2.428 10.038 -6.535 1.00 0.00 O ATOM 427 CB THR A 27 1.240 7.375 -8.142 1.00 0.00 C ATOM 428 OG1 THR A 27 2.069 6.251 -7.881 1.00 0.00 O ATOM 429 CG2 THR A 27 0.349 7.089 -9.351 1.00 0.00 C ATOM 0 H THR A 27 3.490 7.161 -9.185 1.00 0.00 H new ATOM 0 HA THR A 27 1.495 9.398 -8.832 1.00 0.00 H new ATOM 0 HB THR A 27 0.614 7.572 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.510 5.472 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.275 6.219 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.286 7.953 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.972 6.891 -10.223 1.00 0.00 H new ATOM 437 N LEU A 28 3.909 8.440 -6.891 1.00 0.00 N ATOM 438 CA LEU A 28 4.737 8.828 -5.739 1.00 0.00 C ATOM 439 C LEU A 28 5.310 10.216 -6.012 1.00 0.00 C ATOM 440 O LEU A 28 5.549 10.998 -5.113 1.00 0.00 O ATOM 441 CB LEU A 28 5.848 7.780 -5.726 1.00 0.00 C ATOM 442 CG LEU A 28 5.297 6.395 -5.383 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.431 5.555 -4.803 1.00 0.00 C ATOM 444 CD2 LEU A 28 4.169 6.512 -4.355 1.00 0.00 C ATOM 0 H LEU A 28 4.261 7.641 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 28 4.200 8.868 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.334 7.750 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.609 8.062 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 28 4.899 5.926 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.057 4.562 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.231 5.466 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.817 6.036 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.786 5.519 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.551 6.978 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.365 7.123 -4.765 1.00 0.00 H new ATOM 456 N CYS A 29 5.518 10.519 -7.266 1.00 0.00 N ATOM 457 CA CYS A 29 6.065 11.850 -7.641 1.00 0.00 C ATOM 458 C CYS A 29 5.243 12.949 -6.969 1.00 0.00 C ATOM 459 O CYS A 29 5.760 13.773 -6.240 1.00 0.00 O ATOM 460 CB CYS A 29 5.915 11.921 -9.160 1.00 0.00 C ATOM 461 SG CYS A 29 7.506 11.551 -9.938 1.00 0.00 S ATOM 0 H CYS A 29 5.330 9.895 -8.050 1.00 0.00 H new ATOM 0 HA CYS A 29 7.101 11.984 -7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.159 11.211 -9.496 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.574 12.913 -9.457 1.00 0.00 H new ATOM 0 HG CYS A 29 7.679 10.263 -9.982 1.00 0.00 H new ATOM 467 N GLU A 30 3.960 12.958 -7.206 1.00 0.00 N ATOM 468 CA GLU A 30 3.086 13.989 -6.582 1.00 0.00 C ATOM 469 C GLU A 30 3.256 13.955 -5.059 1.00 0.00 C ATOM 470 O GLU A 30 3.479 14.969 -4.427 1.00 0.00 O ATOM 471 CB GLU A 30 1.662 13.592 -7.003 1.00 0.00 C ATOM 472 CG GLU A 30 0.650 13.952 -5.908 1.00 0.00 C ATOM 473 CD GLU A 30 0.757 15.443 -5.580 1.00 0.00 C ATOM 474 OE1 GLU A 30 1.665 16.078 -6.091 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.070 15.924 -4.823 1.00 0.00 O ATOM 0 H GLU A 30 3.478 12.291 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 30 3.325 15.005 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.397 14.100 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.622 12.521 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.360 13.714 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.840 13.358 -5.014 1.00 0.00 H new ATOM 482 N LEU A 31 3.151 12.797 -4.465 1.00 0.00 N ATOM 483 CA LEU A 31 3.308 12.707 -2.984 1.00 0.00 C ATOM 484 C LEU A 31 4.776 12.866 -2.585 1.00 0.00 C ATOM 485 O LEU A 31 5.097 12.974 -1.418 1.00 0.00 O ATOM 486 CB LEU A 31 2.810 11.312 -2.607 1.00 0.00 C ATOM 487 CG LEU A 31 1.318 11.375 -2.279 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.675 10.016 -2.557 1.00 0.00 C ATOM 489 CD2 LEU A 31 1.141 11.729 -0.800 1.00 0.00 C ATOM 0 H LEU A 31 2.964 11.913 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 31 2.752 13.494 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.984 10.618 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.366 10.935 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 31 0.840 12.134 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.389 10.062 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.804 9.761 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.150 9.255 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.078 11.775 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.618 10.967 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.600 12.697 -0.600 1.00 0.00 H new ATOM 501 N GLY A 32 5.672 12.873 -3.536 1.00 0.00 N ATOM 502 CA GLY A 32 7.114 13.014 -3.188 1.00 0.00 C ATOM 503 C GLY A 32 7.421 12.091 -2.011 1.00 0.00 C ATOM 504 O GLY A 32 8.219 12.401 -1.150 1.00 0.00 O ATOM 0 H GLY A 32 5.469 12.788 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.737 12.756 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.342 14.048 -2.928 1.00 0.00 H new ATOM 508 N HIS A 33 6.774 10.959 -1.970 1.00 0.00 N ATOM 509 CA HIS A 33 6.999 10.000 -0.854 1.00 0.00 C ATOM 510 C HIS A 33 8.483 9.936 -0.490 1.00 0.00 C ATOM 511 O HIS A 33 9.345 10.178 -1.311 1.00 0.00 O ATOM 512 CB HIS A 33 6.521 8.656 -1.398 1.00 0.00 C ATOM 513 CG HIS A 33 5.098 8.429 -0.979 1.00 0.00 C ATOM 514 ND1 HIS A 33 4.038 8.567 -1.859 1.00 0.00 N ATOM 515 CD2 HIS A 33 4.544 8.066 0.222 1.00 0.00 C ATOM 516 CE1 HIS A 33 2.911 8.286 -1.181 1.00 0.00 C ATOM 517 NE2 HIS A 33 3.163 7.976 0.093 1.00 0.00 N ATOM 0 H HIS A 33 6.094 10.656 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 33 6.470 10.291 0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.599 8.642 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.155 7.853 -1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.097 7.878 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.922 8.308 -1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.488 7.727 0.816 1.00 0.00 H new ATOM 525 N GLU A 34 8.787 9.609 0.736 1.00 0.00 N ATOM 526 CA GLU A 34 10.218 9.527 1.147 1.00 0.00 C ATOM 527 C GLU A 34 10.808 8.179 0.730 1.00 0.00 C ATOM 528 O GLU A 34 11.951 8.086 0.330 1.00 0.00 O ATOM 529 CB GLU A 34 10.208 9.662 2.669 1.00 0.00 C ATOM 530 CG GLU A 34 11.024 10.890 3.068 1.00 0.00 C ATOM 531 CD GLU A 34 12.471 10.712 2.602 1.00 0.00 C ATOM 532 OE1 GLU A 34 13.007 9.634 2.800 1.00 0.00 O ATOM 533 OE2 GLU A 34 13.017 11.655 2.053 1.00 0.00 O ATOM 0 H GLU A 34 8.110 9.396 1.469 1.00 0.00 H new ATOM 0 HA GLU A 34 10.826 10.300 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.184 9.757 3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.627 8.767 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.594 11.787 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.993 11.026 4.149 1.00 0.00 H new ATOM 540 N VAL A 35 10.035 7.132 0.821 1.00 0.00 N ATOM 541 CA VAL A 35 10.550 5.789 0.431 1.00 0.00 C ATOM 542 C VAL A 35 9.383 4.811 0.258 1.00 0.00 C ATOM 543 O VAL A 35 8.901 4.233 1.212 1.00 0.00 O ATOM 544 CB VAL A 35 11.448 5.366 1.596 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.658 5.437 2.906 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.939 3.933 1.373 1.00 0.00 C ATOM 0 H VAL A 35 9.069 7.148 1.148 1.00 0.00 H new ATOM 0 HA VAL A 35 11.091 5.803 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 35 12.305 6.038 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.299 5.135 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.313 6.458 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.799 4.768 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.578 3.634 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.083 3.260 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.505 3.883 0.443 1.00 0.00 H new ATOM 556 N ALA A 36 8.916 4.624 -0.951 1.00 0.00 N ATOM 557 CA ALA A 36 7.779 3.690 -1.169 1.00 0.00 C ATOM 558 C ALA A 36 8.296 2.273 -1.425 1.00 0.00 C ATOM 559 O ALA A 36 9.454 1.978 -1.210 1.00 0.00 O ATOM 560 CB ALA A 36 7.053 4.225 -2.399 1.00 0.00 C ATOM 0 H ALA A 36 9.274 5.078 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 36 7.122 3.635 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.199 3.586 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.706 5.240 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.735 4.232 -3.250 1.00 0.00 H new ATOM 566 N ALA A 37 7.449 1.391 -1.883 1.00 0.00 N ATOM 567 CA ALA A 37 7.910 -0.002 -2.147 1.00 0.00 C ATOM 568 C ALA A 37 7.409 -0.496 -3.507 1.00 0.00 C ATOM 569 O ALA A 37 6.332 -0.143 -3.952 1.00 0.00 O ATOM 570 CB ALA A 37 7.309 -0.846 -1.025 1.00 0.00 C ATOM 0 H ALA A 37 6.466 1.573 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 37 8.998 -0.064 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.606 -1.887 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.669 -0.482 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.222 -0.773 -1.057 1.00 0.00 H new ATOM 576 N THR A 38 8.198 -1.312 -4.158 1.00 0.00 N ATOM 577 CA THR A 38 7.822 -1.862 -5.487 1.00 0.00 C ATOM 578 C THR A 38 8.048 -3.380 -5.507 1.00 0.00 C ATOM 579 O THR A 38 8.851 -3.907 -4.764 1.00 0.00 O ATOM 580 CB THR A 38 8.762 -1.153 -6.466 1.00 0.00 C ATOM 581 OG1 THR A 38 8.180 0.082 -6.855 1.00 0.00 O ATOM 582 CG2 THR A 38 9.005 -2.033 -7.700 1.00 0.00 C ATOM 0 H THR A 38 9.106 -1.624 -3.813 1.00 0.00 H new ATOM 0 HA THR A 38 6.773 -1.701 -5.737 1.00 0.00 H new ATOM 0 HB THR A 38 9.720 -0.969 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.811 0.578 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.675 -1.518 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.457 -2.976 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.056 -2.232 -8.198 1.00 0.00 H new ATOM 590 N ALA A 39 7.332 -4.071 -6.355 1.00 0.00 N ATOM 591 CA ALA A 39 7.456 -5.558 -6.445 1.00 0.00 C ATOM 592 C ALA A 39 7.324 -6.173 -5.054 1.00 0.00 C ATOM 593 O ALA A 39 7.426 -5.497 -4.062 1.00 0.00 O ATOM 594 CB ALA A 39 8.834 -5.854 -7.027 1.00 0.00 C ATOM 0 H ALA A 39 6.656 -3.662 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 39 6.673 -5.982 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.969 -6.932 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.917 -5.400 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.602 -5.442 -6.372 1.00 0.00 H new ATOM 600 N SER A 40 7.070 -7.443 -4.974 1.00 0.00 N ATOM 601 CA SER A 40 6.913 -8.083 -3.637 1.00 0.00 C ATOM 602 C SER A 40 8.283 -8.378 -3.027 1.00 0.00 C ATOM 603 O SER A 40 9.196 -8.812 -3.703 1.00 0.00 O ATOM 604 CB SER A 40 6.135 -9.366 -3.901 1.00 0.00 C ATOM 605 OG SER A 40 6.953 -10.274 -4.627 1.00 0.00 O ATOM 0 H SER A 40 6.964 -8.069 -5.772 1.00 0.00 H new ATOM 0 HA SER A 40 6.393 -7.441 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.822 -9.815 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.229 -9.145 -4.465 1.00 0.00 H new ATOM 0 HG SER A 40 6.454 -11.100 -4.796 1.00 0.00 H new ATOM 611 N ARG A 41 8.437 -8.137 -1.752 1.00 0.00 N ATOM 612 CA ARG A 41 9.745 -8.393 -1.097 1.00 0.00 C ATOM 613 C ARG A 41 9.552 -8.644 0.400 1.00 0.00 C ATOM 614 O ARG A 41 9.035 -7.810 1.116 1.00 0.00 O ATOM 615 CB ARG A 41 10.551 -7.115 -1.318 1.00 0.00 C ATOM 616 CG ARG A 41 12.039 -7.461 -1.412 1.00 0.00 C ATOM 617 CD ARG A 41 12.403 -7.806 -2.858 1.00 0.00 C ATOM 618 NE ARG A 41 13.798 -8.322 -2.783 1.00 0.00 N ATOM 619 CZ ARG A 41 14.372 -8.813 -3.846 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.647 -9.281 -4.824 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.674 -8.836 -3.930 1.00 0.00 N ATOM 0 H ARG A 41 7.709 -7.773 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 41 10.243 -9.272 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.223 -6.619 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.380 -6.418 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.640 -6.619 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.267 -8.304 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.725 -8.554 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.339 -6.929 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 41 14.305 -8.291 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.629 -9.263 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.098 -9.665 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.241 -8.470 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.125 -9.220 -4.761 1.00 0.00 H new ATOM 635 N MET A 42 9.965 -9.783 0.880 1.00 0.00 N ATOM 636 CA MET A 42 9.803 -10.081 2.330 1.00 0.00 C ATOM 637 C MET A 42 10.490 -9.006 3.179 1.00 0.00 C ATOM 638 O MET A 42 9.981 -8.595 4.203 1.00 0.00 O ATOM 639 CB MET A 42 10.469 -11.440 2.528 1.00 0.00 C ATOM 640 CG MET A 42 9.700 -12.492 1.727 1.00 0.00 C ATOM 641 SD MET A 42 9.583 -14.021 2.690 1.00 0.00 S ATOM 642 CE MET A 42 11.274 -14.599 2.411 1.00 0.00 C ATOM 0 H MET A 42 10.408 -10.520 0.331 1.00 0.00 H new ATOM 0 HA MET A 42 8.757 -10.093 2.635 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.508 -11.402 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.478 -11.704 3.585 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.702 -12.124 1.487 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.205 -12.684 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.424 -15.548 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.440 -14.736 1.342 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.979 -13.862 2.796 1.00 0.00 H new ATOM 652 N GLN A 43 11.635 -8.539 2.760 1.00 0.00 N ATOM 653 CA GLN A 43 12.337 -7.485 3.546 1.00 0.00 C ATOM 654 C GLN A 43 11.498 -6.208 3.542 1.00 0.00 C ATOM 655 O GLN A 43 11.111 -5.701 4.577 1.00 0.00 O ATOM 656 CB GLN A 43 13.664 -7.257 2.820 1.00 0.00 C ATOM 657 CG GLN A 43 14.729 -6.814 3.826 1.00 0.00 C ATOM 658 CD GLN A 43 15.606 -8.009 4.203 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.148 -8.937 4.838 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.859 -8.026 3.837 1.00 0.00 N ATOM 0 H GLN A 43 12.113 -8.840 1.911 1.00 0.00 H new ATOM 0 HA GLN A 43 12.495 -7.772 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.979 -8.173 2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.542 -6.499 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.342 -6.021 3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.254 -6.403 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.245 -7.247 3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.452 -8.818 4.085 1.00 0.00 H new ATOM 669 N GLU A 44 11.205 -5.692 2.381 1.00 0.00 N ATOM 670 CA GLU A 44 10.380 -4.456 2.302 1.00 0.00 C ATOM 671 C GLU A 44 9.039 -4.687 2.997 1.00 0.00 C ATOM 672 O GLU A 44 8.600 -3.891 3.803 1.00 0.00 O ATOM 673 CB GLU A 44 10.166 -4.213 0.808 1.00 0.00 C ATOM 674 CG GLU A 44 11.519 -4.154 0.098 1.00 0.00 C ATOM 675 CD GLU A 44 11.431 -3.186 -1.083 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.041 -3.622 -2.153 1.00 0.00 O ATOM 677 OE2 GLU A 44 11.756 -2.025 -0.897 1.00 0.00 O ATOM 0 H GLU A 44 11.502 -6.074 1.483 1.00 0.00 H new ATOM 0 HA GLU A 44 10.859 -3.605 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.556 -5.010 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.623 -3.280 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.293 -3.828 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.802 -5.147 -0.252 1.00 0.00 H new ATOM 684 N ALA A 45 8.389 -5.780 2.696 1.00 0.00 N ATOM 685 CA ALA A 45 7.082 -6.068 3.348 1.00 0.00 C ATOM 686 C ALA A 45 7.204 -5.788 4.840 1.00 0.00 C ATOM 687 O ALA A 45 6.277 -5.344 5.485 1.00 0.00 O ATOM 688 CB ALA A 45 6.827 -7.555 3.096 1.00 0.00 C ATOM 0 H ALA A 45 8.707 -6.483 2.029 1.00 0.00 H new ATOM 0 HA ALA A 45 6.268 -5.456 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.878 -7.843 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.789 -7.741 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.632 -8.142 3.537 1.00 0.00 H new ATOM 694 N LEU A 46 8.355 -6.036 5.388 1.00 0.00 N ATOM 695 CA LEU A 46 8.564 -5.777 6.831 1.00 0.00 C ATOM 696 C LEU A 46 8.529 -4.272 7.091 1.00 0.00 C ATOM 697 O LEU A 46 7.988 -3.810 8.075 1.00 0.00 O ATOM 698 CB LEU A 46 9.953 -6.334 7.121 1.00 0.00 C ATOM 699 CG LEU A 46 10.178 -6.376 8.628 1.00 0.00 C ATOM 700 CD1 LEU A 46 9.351 -7.515 9.227 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.663 -6.608 8.908 1.00 0.00 C ATOM 0 H LEU A 46 9.165 -6.410 4.894 1.00 0.00 H new ATOM 0 HA LEU A 46 7.799 -6.233 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.051 -7.335 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.712 -5.713 6.646 1.00 0.00 H new ATOM 0 HG LEU A 46 9.870 -5.432 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.508 -7.550 10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.294 -7.346 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.661 -8.462 8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.830 -6.639 9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.973 -7.555 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.246 -5.796 8.474 1.00 0.00 H new ATOM 713 N ASP A 47 9.113 -3.507 6.209 1.00 0.00 N ATOM 714 CA ASP A 47 9.127 -2.032 6.391 1.00 0.00 C ATOM 715 C ASP A 47 7.705 -1.470 6.289 1.00 0.00 C ATOM 716 O ASP A 47 7.445 -0.354 6.682 1.00 0.00 O ATOM 717 CB ASP A 47 9.998 -1.499 5.251 1.00 0.00 C ATOM 718 CG ASP A 47 11.312 -0.954 5.817 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.636 -1.292 6.943 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.972 -0.207 5.112 1.00 0.00 O ATOM 0 H ASP A 47 9.582 -3.844 5.368 1.00 0.00 H new ATOM 0 HA ASP A 47 9.512 -1.742 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.202 -2.294 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.469 -0.713 4.713 1.00 0.00 H new ATOM 725 N ILE A 48 6.781 -2.222 5.754 1.00 0.00 N ATOM 726 CA ILE A 48 5.394 -1.702 5.642 1.00 0.00 C ATOM 727 C ILE A 48 4.532 -2.199 6.803 1.00 0.00 C ATOM 728 O ILE A 48 3.571 -1.576 7.163 1.00 0.00 O ATOM 729 CB ILE A 48 4.836 -2.181 4.283 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.042 -3.484 4.435 1.00 0.00 C ATOM 731 CG2 ILE A 48 5.973 -2.401 3.291 1.00 0.00 C ATOM 732 CD1 ILE A 48 3.716 -4.037 3.044 1.00 0.00 C ATOM 0 H ILE A 48 6.927 -3.165 5.394 1.00 0.00 H new ATOM 0 HA ILE A 48 5.384 -0.613 5.692 1.00 0.00 H new ATOM 0 HB ILE A 48 4.168 -1.405 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.620 -4.213 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.123 -3.302 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.565 -2.738 2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.513 -1.466 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.655 -3.156 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.151 -4.964 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.122 -3.308 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.642 -4.233 2.504 1.00 0.00 H new ATOM 744 N ALA A 49 4.834 -3.333 7.369 1.00 0.00 N ATOM 745 CA ALA A 49 3.974 -3.839 8.473 1.00 0.00 C ATOM 746 C ALA A 49 4.514 -3.470 9.863 1.00 0.00 C ATOM 747 O ALA A 49 3.871 -2.774 10.623 1.00 0.00 O ATOM 748 CB ALA A 49 3.953 -5.356 8.295 1.00 0.00 C ATOM 0 H ALA A 49 5.627 -3.924 7.120 1.00 0.00 H new ATOM 0 HA ALA A 49 2.981 -3.391 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.337 -5.805 9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.538 -5.602 7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.969 -5.745 8.366 1.00 0.00 H new ATOM 754 N ARG A 50 5.670 -3.968 10.213 1.00 0.00 N ATOM 755 CA ARG A 50 6.241 -3.694 11.571 1.00 0.00 C ATOM 756 C ARG A 50 6.354 -2.190 11.874 1.00 0.00 C ATOM 757 O ARG A 50 6.688 -1.805 12.977 1.00 0.00 O ATOM 758 CB ARG A 50 7.628 -4.341 11.548 1.00 0.00 C ATOM 759 CG ARG A 50 7.546 -5.746 12.155 1.00 0.00 C ATOM 760 CD ARG A 50 6.914 -6.706 11.143 1.00 0.00 C ATOM 761 NE ARG A 50 5.550 -6.992 11.675 1.00 0.00 N ATOM 762 CZ ARG A 50 5.263 -8.175 12.154 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.581 -9.249 11.484 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.650 -8.283 13.301 1.00 0.00 N ATOM 0 H ARG A 50 6.249 -4.557 9.615 1.00 0.00 H new ATOM 0 HA ARG A 50 5.595 -4.095 12.352 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.998 -4.396 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.335 -3.731 12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.542 -6.094 12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.954 -5.724 13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.864 -6.256 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.500 -7.620 11.049 1.00 0.00 H new ATOM 0 HE ARG A 50 4.838 -6.262 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.055 -9.167 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.356 -10.170 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.395 -7.445 13.824 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.426 -9.205 13.675 1.00 0.00 H new ATOM 778 N LYS A 51 6.099 -1.333 10.925 1.00 0.00 N ATOM 779 CA LYS A 51 6.219 0.125 11.202 1.00 0.00 C ATOM 780 C LYS A 51 5.025 0.640 12.007 1.00 0.00 C ATOM 781 O LYS A 51 5.181 1.388 12.952 1.00 0.00 O ATOM 782 CB LYS A 51 6.248 0.790 9.828 1.00 0.00 C ATOM 783 CG LYS A 51 7.523 0.402 9.091 1.00 0.00 C ATOM 784 CD LYS A 51 8.730 0.526 10.026 1.00 0.00 C ATOM 785 CE LYS A 51 8.784 1.941 10.608 1.00 0.00 C ATOM 786 NZ LYS A 51 10.109 2.476 10.188 1.00 0.00 N ATOM 0 H LYS A 51 5.815 -1.577 9.976 1.00 0.00 H new ATOM 0 HA LYS A 51 7.108 0.343 11.793 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.376 0.486 9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.196 1.873 9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.442 -0.621 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.659 1.045 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.657 -0.206 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.649 0.311 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.970 2.557 10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.690 1.926 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.222 3.445 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.864 1.873 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.167 2.484 9.150 1.00 0.00 H new ATOM 800 N GLY A 52 3.831 0.278 11.627 1.00 0.00 N ATOM 801 CA GLY A 52 2.640 0.785 12.363 1.00 0.00 C ATOM 802 C GLY A 52 2.537 2.300 12.146 1.00 0.00 C ATOM 803 O GLY A 52 1.749 2.979 12.773 1.00 0.00 O ATOM 0 H GLY A 52 3.629 -0.343 10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.737 0.290 12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.729 0.561 13.426 1.00 0.00 H new ATOM 807 N GLN A 53 3.337 2.827 11.254 1.00 0.00 N ATOM 808 CA GLN A 53 3.315 4.290 10.973 1.00 0.00 C ATOM 809 C GLN A 53 3.941 4.540 9.600 1.00 0.00 C ATOM 810 O GLN A 53 4.844 5.339 9.449 1.00 0.00 O ATOM 811 CB GLN A 53 4.173 4.918 12.072 1.00 0.00 C ATOM 812 CG GLN A 53 5.618 4.437 11.924 1.00 0.00 C ATOM 813 CD GLN A 53 6.131 3.934 13.275 1.00 0.00 C ATOM 814 OE1 GLN A 53 6.930 3.020 13.333 1.00 0.00 O ATOM 815 NE2 GLN A 53 5.701 4.495 14.371 1.00 0.00 N ATOM 0 H GLN A 53 4.012 2.297 10.703 1.00 0.00 H new ATOM 0 HA GLN A 53 2.308 4.707 10.963 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.131 6.005 12.005 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.785 4.644 13.053 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.673 3.640 11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.248 5.250 11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.030 5.262 14.322 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.035 4.167 15.277 1.00 0.00 H new ATOM 824 N PHE A 54 3.474 3.846 8.602 1.00 0.00 N ATOM 825 CA PHE A 54 4.044 4.020 7.235 1.00 0.00 C ATOM 826 C PHE A 54 2.948 4.450 6.258 1.00 0.00 C ATOM 827 O PHE A 54 3.065 4.285 5.061 1.00 0.00 O ATOM 828 CB PHE A 54 4.597 2.647 6.864 1.00 0.00 C ATOM 829 CG PHE A 54 3.492 1.627 6.971 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.218 1.029 8.203 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.729 1.293 5.850 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.182 0.102 8.320 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.695 0.362 5.964 1.00 0.00 C ATOM 834 CZ PHE A 54 1.418 -0.233 7.198 1.00 0.00 C ATOM 0 H PHE A 54 2.720 3.163 8.672 1.00 0.00 H new ATOM 0 HA PHE A 54 4.815 4.790 7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.997 2.664 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.420 2.381 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.811 1.285 9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.939 1.754 4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.971 -0.356 9.275 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.107 0.101 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.615 -0.950 7.285 1.00 0.00 H new ATOM 844 N ASP A 55 1.895 5.018 6.774 1.00 0.00 N ATOM 845 CA ASP A 55 0.778 5.506 5.911 1.00 0.00 C ATOM 846 C ASP A 55 0.079 4.373 5.127 1.00 0.00 C ATOM 847 O ASP A 55 -1.117 4.240 5.226 1.00 0.00 O ATOM 848 CB ASP A 55 1.424 6.541 4.981 1.00 0.00 C ATOM 849 CG ASP A 55 0.572 6.740 3.727 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.536 7.234 3.860 1.00 0.00 O ATOM 851 OD2 ASP A 55 1.043 6.397 2.656 1.00 0.00 O ATOM 0 H ASP A 55 1.757 5.168 7.773 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.024 5.937 6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.537 7.490 5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.424 6.212 4.700 1.00 0.00 H new ATOM 856 N ILE A 56 0.772 3.570 4.338 1.00 0.00 N ATOM 857 CA ILE A 56 0.035 2.492 3.572 1.00 0.00 C ATOM 858 C ILE A 56 0.944 1.305 3.176 1.00 0.00 C ATOM 859 O ILE A 56 2.140 1.453 3.027 1.00 0.00 O ATOM 860 CB ILE A 56 -0.490 3.198 2.315 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.476 4.304 2.709 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.194 2.177 1.426 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.217 4.818 1.468 1.00 0.00 C ATOM 0 H ILE A 56 1.781 3.608 4.192 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.754 2.056 4.185 1.00 0.00 H new ATOM 0 HB ILE A 56 0.345 3.645 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.192 3.921 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.942 5.124 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.570 2.672 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.489 1.396 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.027 1.733 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.915 5.603 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.497 5.219 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.767 3.998 1.007 1.00 0.00 H new ATOM 875 N ALA A 57 0.373 0.115 2.995 1.00 0.00 N ATOM 876 CA ALA A 57 1.210 -1.077 2.608 1.00 0.00 C ATOM 877 C ALA A 57 0.393 -2.046 1.744 1.00 0.00 C ATOM 878 O ALA A 57 -0.678 -2.459 2.127 1.00 0.00 O ATOM 879 CB ALA A 57 1.579 -1.759 3.923 1.00 0.00 C ATOM 0 H ALA A 57 -0.624 -0.072 3.099 1.00 0.00 H new ATOM 0 HA ALA A 57 2.087 -0.779 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.190 -2.638 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.140 -1.064 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.670 -2.062 4.443 1.00 0.00 H new ATOM 885 N ILE A 58 0.869 -2.416 0.581 1.00 0.00 N ATOM 886 CA ILE A 58 0.057 -3.344 -0.266 1.00 0.00 C ATOM 887 C ILE A 58 0.845 -4.567 -0.756 1.00 0.00 C ATOM 888 O ILE A 58 1.498 -4.530 -1.780 1.00 0.00 O ATOM 889 CB ILE A 58 -0.377 -2.507 -1.466 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.343 -1.414 -1.011 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.079 -3.408 -2.480 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.566 -0.323 -0.280 1.00 0.00 C ATOM 0 H ILE A 58 1.764 -2.124 0.188 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.774 -3.745 0.315 1.00 0.00 H new ATOM 0 HB ILE A 58 0.500 -2.048 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.863 -0.992 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.104 -1.836 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.391 -2.815 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.394 -4.189 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.954 -3.864 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.254 0.458 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.067 -0.752 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.178 0.106 -0.951 1.00 0.00 H new ATOM 904 N ILE A 59 0.725 -5.669 -0.067 1.00 0.00 N ATOM 905 CA ILE A 59 1.393 -6.927 -0.517 1.00 0.00 C ATOM 906 C ILE A 59 0.318 -7.771 -1.206 1.00 0.00 C ATOM 907 O ILE A 59 -0.162 -8.752 -0.673 1.00 0.00 O ATOM 908 CB ILE A 59 1.893 -7.593 0.768 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.999 -6.726 1.374 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.442 -8.983 0.450 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.028 -6.912 2.893 1.00 0.00 C ATOM 0 H ILE A 59 0.188 -5.754 0.796 1.00 0.00 H new ATOM 0 HA ILE A 59 2.221 -6.782 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 59 1.071 -7.693 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.964 -6.999 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.827 -5.678 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.797 -9.453 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.653 -9.594 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.268 -8.895 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.817 -6.293 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.067 -6.617 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.221 -7.959 3.128 1.00 0.00 H new ATOM 923 N ASP A 60 -0.108 -7.343 -2.366 1.00 0.00 N ATOM 924 CA ASP A 60 -1.209 -8.053 -3.080 1.00 0.00 C ATOM 925 C ASP A 60 -0.711 -9.136 -4.030 1.00 0.00 C ATOM 926 O ASP A 60 0.185 -8.913 -4.815 1.00 0.00 O ATOM 927 CB ASP A 60 -1.922 -6.946 -3.869 1.00 0.00 C ATOM 928 CG ASP A 60 -1.338 -6.831 -5.278 1.00 0.00 C ATOM 929 OD1 ASP A 60 -0.370 -6.107 -5.445 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.875 -7.473 -6.168 1.00 0.00 O ATOM 0 H ASP A 60 0.263 -6.526 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.853 -8.575 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.989 -7.162 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.818 -5.995 -3.347 1.00 0.00 H new ATOM 935 N VAL A 61 -1.367 -10.274 -3.975 1.00 0.00 N ATOM 936 CA VAL A 61 -1.082 -11.443 -4.871 1.00 0.00 C ATOM 937 C VAL A 61 -1.188 -12.735 -4.079 1.00 0.00 C ATOM 938 O VAL A 61 -0.209 -13.375 -3.752 1.00 0.00 O ATOM 939 CB VAL A 61 0.319 -11.291 -5.448 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.336 -11.120 -4.318 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.672 -12.540 -6.259 1.00 0.00 C ATOM 0 H VAL A 61 -2.124 -10.445 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.808 -11.474 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 61 0.346 -10.411 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.335 -11.012 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.089 -10.231 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.309 -11.995 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.675 -12.434 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.638 -13.416 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.045 -12.661 -7.071 1.00 0.00 H new ATOM 951 N ASN A 62 -2.387 -13.119 -3.791 1.00 0.00 N ATOM 952 CA ASN A 62 -2.625 -14.376 -3.039 1.00 0.00 C ATOM 953 C ASN A 62 -2.769 -15.549 -4.012 1.00 0.00 C ATOM 954 O ASN A 62 -3.775 -16.230 -4.030 1.00 0.00 O ATOM 955 CB ASN A 62 -3.938 -14.128 -2.305 1.00 0.00 C ATOM 956 CG ASN A 62 -5.091 -13.971 -3.312 1.00 0.00 C ATOM 957 OD1 ASN A 62 -6.240 -13.949 -2.920 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.847 -13.860 -4.600 1.00 0.00 N ATOM 0 H ASN A 62 -3.232 -12.608 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.809 -14.626 -2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.147 -14.957 -1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.856 -13.230 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.619 -13.757 -5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.886 -13.877 -4.940 1.00 0.00 H new ATOM 965 N LEU A 63 -1.784 -15.777 -4.835 1.00 0.00 N ATOM 966 CA LEU A 63 -1.882 -16.887 -5.822 1.00 0.00 C ATOM 967 C LEU A 63 -0.515 -17.535 -6.026 1.00 0.00 C ATOM 968 O LEU A 63 0.432 -17.245 -5.324 1.00 0.00 O ATOM 969 CB LEU A 63 -2.348 -16.215 -7.116 1.00 0.00 C ATOM 970 CG LEU A 63 -3.725 -16.750 -7.513 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.779 -16.206 -6.550 1.00 0.00 C ATOM 972 CD2 LEU A 63 -4.054 -16.291 -8.935 1.00 0.00 C ATOM 0 H LEU A 63 -0.916 -15.243 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.562 -17.674 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.393 -15.135 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.630 -16.405 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.720 -17.839 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.761 -16.587 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.544 -16.526 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.786 -15.117 -6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.035 -16.670 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.061 -15.202 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.301 -16.674 -9.624 1.00 0.00 H new ATOM 984 N ASP A 64 -0.408 -18.411 -6.987 1.00 0.00 N ATOM 985 CA ASP A 64 0.895 -19.083 -7.244 1.00 0.00 C ATOM 986 C ASP A 64 1.565 -19.457 -5.920 1.00 0.00 C ATOM 987 O ASP A 64 2.772 -19.555 -5.831 1.00 0.00 O ATOM 988 CB ASP A 64 1.732 -18.050 -7.999 1.00 0.00 C ATOM 989 CG ASP A 64 2.637 -18.765 -9.003 1.00 0.00 C ATOM 990 OD1 ASP A 64 2.108 -19.353 -9.931 1.00 0.00 O ATOM 991 OD2 ASP A 64 3.843 -18.711 -8.828 1.00 0.00 O ATOM 0 H ASP A 64 -1.169 -18.690 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 64 0.780 -20.006 -7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.080 -17.346 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.334 -17.471 -7.298 1.00 0.00 H new ATOM 996 N GLY A 65 0.790 -19.671 -4.890 1.00 0.00 N ATOM 997 CA GLY A 65 1.388 -20.042 -3.580 1.00 0.00 C ATOM 998 C GLY A 65 0.822 -19.164 -2.468 1.00 0.00 C ATOM 999 O GLY A 65 0.993 -19.446 -1.299 1.00 0.00 O ATOM 0 H GLY A 65 -0.228 -19.605 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.183 -21.091 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.471 -19.931 -3.623 1.00 0.00 H new ATOM 1003 N GLU A 66 0.158 -18.100 -2.811 1.00 0.00 N ATOM 1004 CA GLU A 66 -0.401 -17.215 -1.754 1.00 0.00 C ATOM 1005 C GLU A 66 0.668 -16.940 -0.695 1.00 0.00 C ATOM 1006 O GLU A 66 0.511 -17.291 0.458 1.00 0.00 O ATOM 1007 CB GLU A 66 -1.569 -18.001 -1.156 1.00 0.00 C ATOM 1008 CG GLU A 66 -2.427 -17.075 -0.291 1.00 0.00 C ATOM 1009 CD GLU A 66 -3.281 -17.917 0.661 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -3.358 -19.117 0.451 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.844 -17.348 1.583 1.00 0.00 O ATOM 0 H GLU A 66 -0.022 -17.805 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.724 -16.249 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.174 -18.434 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.193 -18.829 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.791 -16.397 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.067 -16.458 -0.922 1.00 0.00 H new ATOM 1018 N PRO A 67 1.730 -16.323 -1.134 1.00 0.00 N ATOM 1019 CA PRO A 67 2.853 -15.993 -0.225 1.00 0.00 C ATOM 1020 C PRO A 67 2.472 -14.837 0.704 1.00 0.00 C ATOM 1021 O PRO A 67 1.957 -15.039 1.785 1.00 0.00 O ATOM 1022 CB PRO A 67 3.971 -15.578 -1.178 1.00 0.00 C ATOM 1023 CG PRO A 67 3.273 -15.113 -2.418 1.00 0.00 C ATOM 1024 CD PRO A 67 1.978 -15.878 -2.509 1.00 0.00 C ATOM 0 HA PRO A 67 3.135 -16.821 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.581 -14.784 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.638 -16.413 -1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.085 -14.040 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.890 -15.293 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.168 -15.248 -2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.061 -16.723 -3.193 1.00 0.00 H new ATOM 1032 N SER A 68 2.733 -13.625 0.291 1.00 0.00 N ATOM 1033 CA SER A 68 2.400 -12.445 1.146 1.00 0.00 C ATOM 1034 C SER A 68 3.156 -12.510 2.483 1.00 0.00 C ATOM 1035 O SER A 68 2.926 -11.711 3.366 1.00 0.00 O ATOM 1036 CB SER A 68 0.890 -12.538 1.374 1.00 0.00 C ATOM 1037 OG SER A 68 0.640 -13.203 2.606 1.00 0.00 O ATOM 0 H SER A 68 3.164 -13.399 -0.605 1.00 0.00 H new ATOM 0 HA SER A 68 2.687 -11.505 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.451 -11.540 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.420 -13.080 0.553 1.00 0.00 H new ATOM 0 HG SER A 68 0.746 -14.170 2.483 1.00 0.00 H new ATOM 1043 N TYR A 69 4.062 -13.449 2.625 1.00 0.00 N ATOM 1044 CA TYR A 69 4.853 -13.598 3.887 1.00 0.00 C ATOM 1045 C TYR A 69 3.951 -13.526 5.124 1.00 0.00 C ATOM 1046 O TYR A 69 2.797 -13.143 5.055 1.00 0.00 O ATOM 1047 CB TYR A 69 5.897 -12.463 3.920 1.00 0.00 C ATOM 1048 CG TYR A 69 5.762 -11.541 2.728 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.370 -11.877 1.514 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.033 -10.351 2.839 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.249 -11.023 0.412 1.00 0.00 C ATOM 1052 CE2 TYR A 69 4.912 -9.499 1.738 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.521 -9.834 0.523 1.00 0.00 C ATOM 1054 OH TYR A 69 5.403 -8.993 -0.565 1.00 0.00 O ATOM 0 H TYR A 69 4.290 -14.132 1.903 1.00 0.00 H new ATOM 0 HA TYR A 69 5.340 -14.573 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.780 -11.889 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.899 -12.891 3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.932 -12.795 1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.564 -10.091 3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.718 -11.282 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.348 -8.582 1.825 1.00 0.00 H new ATOM 0 HH TYR A 69 5.476 -8.062 -0.268 1.00 0.00 H new ATOM 1064 N PRO A 70 4.521 -13.904 6.228 1.00 0.00 N ATOM 1065 CA PRO A 70 3.780 -13.884 7.503 1.00 0.00 C ATOM 1066 C PRO A 70 3.627 -12.441 7.986 1.00 0.00 C ATOM 1067 O PRO A 70 2.969 -12.174 8.972 1.00 0.00 O ATOM 1068 CB PRO A 70 4.667 -14.691 8.447 1.00 0.00 C ATOM 1069 CG PRO A 70 6.046 -14.576 7.877 1.00 0.00 C ATOM 1070 CD PRO A 70 5.899 -14.381 6.389 1.00 0.00 C ATOM 0 HA PRO A 70 2.773 -14.295 7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.625 -14.296 9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.346 -15.732 8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.578 -13.737 8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.627 -15.473 8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.619 -13.657 6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.065 -15.311 5.846 1.00 0.00 H new ATOM 1078 N VAL A 71 4.219 -11.501 7.293 1.00 0.00 N ATOM 1079 CA VAL A 71 4.084 -10.085 7.726 1.00 0.00 C ATOM 1080 C VAL A 71 2.856 -9.458 7.063 1.00 0.00 C ATOM 1081 O VAL A 71 2.027 -8.866 7.724 1.00 0.00 O ATOM 1082 CB VAL A 71 5.379 -9.379 7.313 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.576 -10.175 7.836 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.460 -9.284 5.793 1.00 0.00 C ATOM 0 H VAL A 71 4.783 -11.654 6.457 1.00 0.00 H new ATOM 0 HA VAL A 71 3.939 -9.997 8.803 1.00 0.00 H new ATOM 0 HB VAL A 71 5.390 -8.374 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.500 -9.676 7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.525 -10.237 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.557 -11.180 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.384 -8.781 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.446 -10.286 5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.608 -8.717 5.418 1.00 0.00 H new ATOM 1094 N ALA A 72 2.704 -9.603 5.770 1.00 0.00 N ATOM 1095 CA ALA A 72 1.500 -9.035 5.111 1.00 0.00 C ATOM 1096 C ALA A 72 0.261 -9.602 5.791 1.00 0.00 C ATOM 1097 O ALA A 72 -0.633 -8.881 6.192 1.00 0.00 O ATOM 1098 CB ALA A 72 1.572 -9.516 3.667 1.00 0.00 C ATOM 0 H ALA A 72 3.357 -10.086 5.152 1.00 0.00 H new ATOM 0 HA ALA A 72 1.455 -7.947 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.713 -9.136 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.490 -9.151 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.564 -10.606 3.646 1.00 0.00 H new ATOM 1104 N ASP A 73 0.215 -10.897 5.937 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.950 -11.523 6.608 1.00 0.00 C ATOM 1106 C ASP A 73 -1.190 -10.850 7.957 1.00 0.00 C ATOM 1107 O ASP A 73 -2.275 -10.393 8.256 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.553 -12.978 6.801 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.025 -13.804 5.602 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -2.180 -14.198 5.597 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.224 -14.027 4.709 1.00 0.00 O ATOM 0 H ASP A 73 0.935 -11.546 5.620 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.870 -11.426 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.529 -13.059 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.994 -13.367 7.719 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.173 -10.776 8.768 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.330 -10.120 10.098 1.00 0.00 C ATOM 1118 C ILE A 74 -0.796 -8.684 9.889 1.00 0.00 C ATOM 1119 O ILE A 74 -1.655 -8.181 10.584 1.00 0.00 O ATOM 1120 CB ILE A 74 1.063 -10.144 10.727 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.373 -11.558 11.227 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.106 -9.170 11.906 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.712 -11.558 11.970 1.00 0.00 C ATOM 0 H ILE A 74 0.759 -11.140 8.569 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.061 -10.620 10.733 1.00 0.00 H new ATOM 0 HB ILE A 74 1.802 -9.850 9.982 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.578 -11.903 11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.412 -12.251 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.099 -9.186 12.355 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.883 -8.163 11.554 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.366 -9.466 12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.931 -12.565 12.325 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.503 -11.231 11.295 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.657 -10.878 12.820 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.237 -8.025 8.922 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.642 -6.629 8.642 1.00 0.00 C ATOM 1137 C LEU A 75 -2.125 -6.590 8.258 1.00 0.00 C ATOM 1138 O LEU A 75 -2.775 -5.568 8.352 1.00 0.00 O ATOM 1139 CB LEU A 75 0.240 -6.216 7.467 1.00 0.00 C ATOM 1140 CG LEU A 75 0.222 -4.698 7.321 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.617 -4.057 8.651 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.226 -4.289 6.241 1.00 0.00 C ATOM 0 H LEU A 75 0.489 -8.397 8.309 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.522 -5.964 9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.261 -6.564 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.117 -6.684 6.549 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.777 -4.365 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.605 -2.972 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.091 -4.357 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.619 -4.384 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.220 -3.205 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.224 -4.618 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.950 -4.752 5.294 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.658 -7.701 7.819 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.089 -7.744 7.419 1.00 0.00 C ATOM 1156 C ALA A 76 -4.976 -8.255 8.562 1.00 0.00 C ATOM 1157 O ALA A 76 -6.160 -7.996 8.592 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.143 -8.711 6.236 1.00 0.00 C ATOM 0 H ALA A 76 -2.157 -8.584 7.721 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.459 -6.751 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.171 -8.797 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.512 -8.336 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.785 -9.691 6.551 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.430 -8.994 9.492 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.279 -9.515 10.600 1.00 0.00 C ATOM 1166 C GLU A 77 -5.676 -8.377 11.545 1.00 0.00 C ATOM 1167 O GLU A 77 -6.774 -8.343 12.065 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.428 -10.578 11.315 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.488 -9.929 12.340 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.964 -11.001 13.300 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.191 -12.170 13.033 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.344 -10.635 14.285 1.00 0.00 O ATOM 0 H GLU A 77 -3.445 -9.256 9.532 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.210 -9.948 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.079 -11.294 11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.844 -11.135 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.656 -9.443 11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.017 -9.155 12.896 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.793 -7.443 11.767 1.00 0.00 N ATOM 1180 CA ARG A 78 -5.117 -6.309 12.669 1.00 0.00 C ATOM 1181 C ARG A 78 -5.324 -5.030 11.849 1.00 0.00 C ATOM 1182 O ARG A 78 -6.130 -4.188 12.187 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.905 -6.180 13.593 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.678 -5.768 12.778 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.542 -5.382 13.727 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.115 -4.319 14.597 1.00 0.00 N ATOM 1187 CZ ARG A 78 -1.696 -4.184 15.826 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -0.622 -3.485 16.075 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -2.350 -4.750 16.804 1.00 0.00 N ATOM 0 H ARG A 78 -3.858 -7.419 11.360 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.035 -6.471 13.233 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.104 -5.440 14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.717 -7.128 14.097 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.364 -6.589 12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.925 -4.928 12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.210 -6.238 14.315 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.674 -5.018 13.177 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.835 -3.696 14.233 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.111 -3.045 15.310 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.294 -3.379 17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.188 -5.297 16.608 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.023 -4.645 17.764 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.612 -4.900 10.761 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.758 -3.701 9.886 1.00 0.00 C ATOM 1205 C ASN A 79 -4.595 -2.392 10.673 1.00 0.00 C ATOM 1206 O ASN A 79 -5.331 -2.101 11.594 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.170 -3.803 9.316 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.442 -5.234 8.852 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.079 -5.610 7.755 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -7.075 -6.053 9.646 1.00 0.00 N ATOM 0 H ASN A 79 -3.927 -5.583 10.438 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.990 -3.681 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.899 -3.512 10.073 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.285 -3.113 8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.265 -7.009 9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.380 -5.737 10.567 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.644 -1.591 10.278 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.414 -0.274 10.945 1.00 0.00 C ATOM 1219 C VAL A 80 -3.742 0.820 9.912 1.00 0.00 C ATOM 1220 O VAL A 80 -4.425 0.530 8.949 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.925 -0.302 11.328 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.567 -1.679 11.898 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -1.060 -0.036 10.089 1.00 0.00 C ATOM 0 H VAL A 80 -3.006 -1.795 9.509 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.025 -0.082 11.827 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.738 0.469 12.075 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.511 -1.697 12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.172 -1.875 12.783 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.762 -2.445 11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.007 -0.058 10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.252 -0.804 9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.306 0.943 9.677 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.256 2.031 10.079 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.560 3.055 9.057 1.00 0.00 C ATOM 1235 C PRO A 81 -2.834 2.649 7.784 1.00 0.00 C ATOM 1236 O PRO A 81 -1.624 2.555 7.756 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.027 4.349 9.650 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.988 3.921 10.634 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.406 2.565 11.155 1.00 0.00 C ATOM 0 HA PRO A 81 -4.615 3.166 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.601 4.991 8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.820 4.918 10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.008 3.867 10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.909 4.640 11.449 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.545 1.924 11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.952 2.647 12.095 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.568 2.355 6.748 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.918 1.880 5.494 1.00 0.00 C ATOM 1249 C PHE A 82 -3.941 1.523 4.409 1.00 0.00 C ATOM 1250 O PHE A 82 -4.968 2.151 4.251 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.177 0.599 5.919 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.166 -0.541 6.146 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.526 -0.282 6.405 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.714 -1.867 6.113 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.418 -1.337 6.626 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.612 -2.923 6.332 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.960 -2.657 6.589 1.00 0.00 C ATOM 0 H PHE A 82 -4.585 2.422 6.714 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.275 2.651 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.457 0.316 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.612 0.785 6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.882 0.737 6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.673 -2.077 5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.459 -1.132 6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.261 -3.944 6.302 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.648 -3.472 6.759 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.636 0.484 3.678 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.519 -0.015 2.597 1.00 0.00 C ATOM 1269 C ILE A 83 -3.905 -1.319 2.108 1.00 0.00 C ATOM 1270 O ILE A 83 -2.731 -1.562 2.333 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.498 1.070 1.525 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.825 1.831 1.558 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.301 0.465 0.126 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.562 3.337 1.560 1.00 0.00 C ATOM 0 H ILE A 83 -2.778 -0.055 3.795 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.549 -0.209 2.897 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.665 1.742 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.431 1.560 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.393 1.551 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.290 1.262 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.355 -0.075 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.118 -0.223 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.511 3.872 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.974 3.602 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.013 3.612 0.659 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.674 -2.160 1.474 1.00 0.00 N ATOM 1287 CA PHE A 84 -4.114 -3.460 1.015 1.00 0.00 C ATOM 1288 C PHE A 84 -4.860 -3.993 -0.213 1.00 0.00 C ATOM 1289 O PHE A 84 -5.863 -3.448 -0.648 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.312 -4.375 2.209 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.260 -5.459 2.207 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.498 -6.662 1.533 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.051 -5.266 2.888 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.530 -7.673 1.538 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.083 -6.279 2.895 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.323 -7.481 2.220 1.00 0.00 C ATOM 0 H PHE A 84 -5.658 -2.005 1.256 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.072 -3.379 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.252 -3.800 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.306 -4.821 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.430 -6.811 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.865 -4.337 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.714 -8.600 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.152 -6.132 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.576 -8.261 2.225 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.358 -5.043 -0.800 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.021 -5.578 -2.014 1.00 0.00 C ATOM 1308 C ALA A 85 -4.552 -6.995 -2.344 1.00 0.00 C ATOM 1309 O ALA A 85 -3.506 -7.425 -1.923 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.607 -4.611 -3.119 1.00 0.00 C ATOM 0 H ALA A 85 -3.526 -5.547 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.101 -5.649 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.052 -4.926 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.952 -3.607 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.521 -4.609 -3.212 1.00 0.00 H new ATOM 1316 N THR A 86 -5.333 -7.710 -3.114 1.00 0.00 N ATOM 1317 CA THR A 86 -4.961 -9.103 -3.526 1.00 0.00 C ATOM 1318 C THR A 86 -6.183 -9.797 -4.133 1.00 0.00 C ATOM 1319 O THR A 86 -7.273 -9.260 -4.122 1.00 0.00 O ATOM 1320 CB THR A 86 -4.489 -9.835 -2.266 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.532 -11.235 -2.504 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.391 -9.497 -1.073 1.00 0.00 C ATOM 0 H THR A 86 -6.227 -7.384 -3.481 1.00 0.00 H new ATOM 0 HA THR A 86 -4.171 -9.101 -4.276 1.00 0.00 H new ATOM 0 HB THR A 86 -3.472 -9.520 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.220 -11.642 -1.937 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.038 -10.027 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.362 -8.423 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.415 -9.800 -1.293 1.00 0.00 H new ATOM 1330 N GLY A 87 -6.023 -10.979 -4.668 1.00 0.00 N ATOM 1331 CA GLY A 87 -7.201 -11.670 -5.274 1.00 0.00 C ATOM 1332 C GLY A 87 -8.367 -11.633 -4.288 1.00 0.00 C ATOM 1333 O GLY A 87 -9.491 -11.344 -4.647 1.00 0.00 O ATOM 0 H GLY A 87 -5.142 -11.490 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.483 -11.183 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.947 -12.702 -5.517 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.102 -11.921 -3.046 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.184 -11.898 -2.022 1.00 0.00 C ATOM 1339 C TYR A 88 -10.059 -10.657 -2.216 1.00 0.00 C ATOM 1340 O TYR A 88 -11.264 -10.748 -2.350 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.436 -11.835 -0.688 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.394 -11.961 0.478 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.778 -12.040 0.267 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.886 -11.980 1.781 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.648 -12.144 1.359 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -9.755 -12.086 2.870 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.137 -12.164 2.661 1.00 0.00 C ATOM 1348 OH TYR A 88 -11.996 -12.264 3.737 1.00 0.00 O ATOM 0 H TYR A 88 -7.179 -12.173 -2.693 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.848 -12.761 -2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.696 -12.634 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.892 -10.893 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.173 -12.021 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.821 -11.913 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.714 -12.209 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.360 -12.108 3.875 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.546 -12.729 4.473 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.467 -9.496 -2.228 1.00 0.00 N ATOM 1359 CA GLY A 89 -10.275 -8.260 -2.404 1.00 0.00 C ATOM 1360 C GLY A 89 -10.489 -7.593 -1.042 1.00 0.00 C ATOM 1361 O GLY A 89 -11.170 -6.594 -0.956 1.00 0.00 O ATOM 0 H GLY A 89 -8.463 -9.350 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.767 -7.574 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.236 -8.502 -2.858 1.00 0.00 H new ATOM 1365 N SER A 90 -9.893 -8.157 0.003 1.00 0.00 N ATOM 1366 CA SER A 90 -9.989 -7.619 1.416 1.00 0.00 C ATOM 1367 C SER A 90 -10.793 -8.562 2.316 1.00 0.00 C ATOM 1368 O SER A 90 -11.101 -9.682 1.959 1.00 0.00 O ATOM 1369 CB SER A 90 -10.667 -6.248 1.377 1.00 0.00 C ATOM 1370 OG SER A 90 -12.061 -6.418 1.150 1.00 0.00 O ATOM 0 H SER A 90 -9.323 -9.000 -0.072 1.00 0.00 H new ATOM 0 HA SER A 90 -8.983 -7.536 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.502 -5.721 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.230 -5.636 0.588 1.00 0.00 H new ATOM 0 HG SER A 90 -12.226 -6.523 0.190 1.00 0.00 H new ATOM 1376 N LYS A 91 -11.123 -8.099 3.493 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.897 -8.924 4.459 1.00 0.00 C ATOM 1378 C LYS A 91 -12.462 -8.021 5.555 1.00 0.00 C ATOM 1379 O LYS A 91 -12.436 -8.354 6.723 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.879 -9.894 5.054 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.910 -9.123 5.953 1.00 0.00 C ATOM 1382 CD LYS A 91 -10.039 -9.624 7.393 1.00 0.00 C ATOM 1383 CE LYS A 91 -9.506 -8.558 8.353 1.00 0.00 C ATOM 1384 NZ LYS A 91 -10.675 -8.183 9.196 1.00 0.00 N ATOM 0 H LYS A 91 -10.883 -7.166 3.829 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.732 -9.445 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.389 -10.667 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.331 -10.398 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.887 -9.256 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.126 -8.056 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.082 -9.845 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.482 -10.552 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.689 -8.947 8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.118 -7.696 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.498 -7.262 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.526 -8.121 8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.819 -8.904 9.931 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.950 -6.870 5.190 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.488 -5.938 6.215 1.00 0.00 C ATOM 1400 C GLY A 92 -12.312 -5.231 6.888 1.00 0.00 C ATOM 1401 O GLY A 92 -12.424 -4.723 7.985 1.00 0.00 O ATOM 0 H GLY A 92 -12.999 -6.535 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.154 -5.210 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.075 -6.484 6.953 1.00 0.00 H new ATOM 1405 N LEU A 93 -11.178 -5.207 6.233 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.981 -4.543 6.824 1.00 0.00 C ATOM 1407 C LEU A 93 -10.397 -3.237 7.507 1.00 0.00 C ATOM 1408 O LEU A 93 -11.199 -2.482 6.995 1.00 0.00 O ATOM 1409 CB LEU A 93 -9.035 -4.306 5.630 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.546 -2.852 5.584 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.274 -2.772 4.740 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.628 -1.973 4.954 1.00 0.00 C ATOM 0 H LEU A 93 -11.032 -5.620 5.312 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.491 -5.139 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.179 -4.977 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.551 -4.548 4.701 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.336 -2.505 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.924 -1.740 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.503 -3.402 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.486 -3.117 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.283 -0.940 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.835 -2.320 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.538 -2.032 5.551 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.854 -2.971 8.658 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.215 -1.719 9.374 1.00 0.00 C ATOM 1426 C ASP A 94 -9.040 -0.749 9.341 1.00 0.00 C ATOM 1427 O ASP A 94 -7.896 -1.143 9.231 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.525 -2.148 10.808 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.305 -2.852 11.404 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.055 -3.984 11.024 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.643 -2.248 12.231 1.00 0.00 O ATOM 0 H ASP A 94 -9.176 -3.565 9.135 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.064 -1.210 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.787 -1.278 11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.386 -2.816 10.821 1.00 0.00 H new ATOM 1436 N THR A 95 -9.312 0.517 9.423 1.00 0.00 N ATOM 1437 CA THR A 95 -8.210 1.509 9.384 1.00 0.00 C ATOM 1438 C THR A 95 -8.777 2.914 9.514 1.00 0.00 C ATOM 1439 O THR A 95 -9.924 3.103 9.867 1.00 0.00 O ATOM 1440 CB THR A 95 -7.589 1.324 8.004 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.587 2.301 7.793 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.675 1.465 6.941 1.00 0.00 C ATOM 0 H THR A 95 -10.249 0.909 9.515 1.00 0.00 H new ATOM 0 HA THR A 95 -7.490 1.373 10.191 1.00 0.00 H new ATOM 0 HB THR A 95 -7.139 0.333 7.939 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.623 2.611 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.236 1.333 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.442 0.707 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.125 2.456 7.009 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.992 3.903 9.211 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.501 5.291 9.296 1.00 0.00 C ATOM 1452 C ARG A 96 -8.889 5.771 7.899 1.00 0.00 C ATOM 1453 O ARG A 96 -9.216 6.922 7.695 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.341 6.114 9.855 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.962 5.584 11.240 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.101 6.704 12.273 1.00 0.00 C ATOM 1457 NE ARG A 96 -5.892 7.554 12.083 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.056 7.733 13.069 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.495 8.124 14.235 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -3.782 7.525 12.888 1.00 0.00 N ATOM 0 H ARG A 96 -7.022 3.810 8.909 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.385 5.379 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.484 6.056 9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.624 7.164 9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.605 4.746 11.508 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.938 5.210 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.015 7.276 12.114 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.147 6.304 13.286 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.718 7.997 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.492 8.290 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.841 8.264 15.005 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.439 7.223 11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.128 7.665 13.658 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.862 4.891 6.932 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.240 5.309 5.554 1.00 0.00 C ATOM 1476 C TYR A 97 -10.751 5.146 5.357 1.00 0.00 C ATOM 1477 O TYR A 97 -11.463 6.116 5.194 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.462 4.380 4.620 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.990 4.714 4.691 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.273 4.495 5.873 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.343 5.242 3.570 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.909 4.807 5.931 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.982 5.554 3.628 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.265 5.336 4.807 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.923 5.648 4.863 1.00 0.00 O ATOM 0 H TYR A 97 -8.597 3.912 7.037 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.005 6.355 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.624 3.341 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.822 4.490 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.771 4.086 6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.896 5.409 2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.355 4.639 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.485 5.964 2.761 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.464 5.015 5.454 1.00 0.00 H new ATOM 1495 N SER A 98 -11.238 3.923 5.398 1.00 0.00 N ATOM 1496 CA SER A 98 -12.715 3.660 5.232 1.00 0.00 C ATOM 1497 C SER A 98 -12.985 2.236 4.709 1.00 0.00 C ATOM 1498 O SER A 98 -14.115 1.884 4.437 1.00 0.00 O ATOM 1499 CB SER A 98 -13.223 4.680 4.211 1.00 0.00 C ATOM 1500 OG SER A 98 -13.805 5.780 4.898 1.00 0.00 O ATOM 0 H SER A 98 -10.672 3.087 5.541 1.00 0.00 H new ATOM 0 HA SER A 98 -13.220 3.749 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.401 5.022 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.958 4.218 3.552 1.00 0.00 H new ATOM 0 HG SER A 98 -13.102 6.293 5.349 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.976 1.410 4.571 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.208 0.018 4.075 1.00 0.00 C ATOM 1508 C ASN A 99 -12.655 0.024 2.609 1.00 0.00 C ATOM 1509 O ASN A 99 -13.008 -1.000 2.057 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.317 -0.549 4.965 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.091 -0.111 6.412 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -14.017 -0.061 7.198 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.889 0.210 6.799 1.00 0.00 N ATOM 0 H ASN A 99 -11.004 1.639 4.780 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.297 -0.579 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.289 -0.201 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.327 -1.637 4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.725 0.503 7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.112 0.168 6.139 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.658 1.163 1.977 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.103 1.211 0.548 1.00 0.00 C ATOM 1522 C ILE A 100 -11.935 1.057 -0.453 1.00 0.00 C ATOM 1523 O ILE A 100 -12.160 0.624 -1.567 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.822 2.565 0.356 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.814 3.702 0.064 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.662 2.900 1.598 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.397 4.413 1.354 1.00 0.00 C ATOM 0 H ILE A 100 -12.376 2.057 2.379 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.766 0.371 0.342 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.483 2.476 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.933 3.293 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.261 4.421 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.164 3.856 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.407 2.120 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.012 2.962 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.688 5.207 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.277 4.842 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.929 3.697 2.029 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.731 1.422 -0.065 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.590 1.314 -0.994 1.00 0.00 C ATOM 1541 C PRO A 101 -8.917 -0.053 -0.873 1.00 0.00 C ATOM 1542 O PRO A 101 -7.754 -0.150 -0.534 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.649 2.406 -0.512 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.970 2.611 0.941 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.303 1.959 1.228 1.00 0.00 C ATOM 0 HA PRO A 101 -9.881 1.419 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.608 2.112 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.795 3.326 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.191 2.175 1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.009 3.675 1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.207 1.170 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.022 2.680 1.617 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.626 -1.109 -1.142 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.995 -2.456 -1.032 1.00 0.00 C ATOM 1555 C LEU A 102 -9.476 -3.386 -2.152 1.00 0.00 C ATOM 1556 O LEU A 102 -10.659 -3.524 -2.392 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.402 -2.993 0.349 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.846 -2.597 0.689 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.825 -3.437 -0.132 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -11.098 -2.851 2.178 1.00 0.00 C ATOM 0 H LEU A 102 -10.604 -1.103 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.911 -2.399 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.306 -4.079 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.725 -2.602 1.109 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.993 -1.542 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.847 -3.150 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.647 -3.268 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.679 -4.493 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.122 -2.572 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.947 -3.908 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.405 -2.254 2.771 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.556 -4.031 -2.838 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.950 -4.963 -3.953 1.00 0.00 C ATOM 1574 C LEU A 103 -7.690 -5.544 -4.643 1.00 0.00 C ATOM 1575 O LEU A 103 -6.612 -5.035 -4.477 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.817 -4.102 -4.904 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.006 -3.534 -6.072 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -7.689 -2.936 -5.574 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -8.729 -4.648 -7.072 1.00 0.00 C ATOM 0 H LEU A 103 -7.552 -3.953 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.509 -5.832 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.636 -4.707 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.265 -3.282 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.578 -2.741 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.128 -2.538 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.898 -2.133 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.101 -3.710 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.152 -4.252 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.164 -5.442 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.673 -5.049 -7.441 1.00 0.00 H new ATOM 1591 N THR A 104 -7.814 -6.627 -5.384 1.00 0.00 N ATOM 1592 CA THR A 104 -6.601 -7.250 -6.044 1.00 0.00 C ATOM 1593 C THR A 104 -5.831 -6.237 -6.923 1.00 0.00 C ATOM 1594 O THR A 104 -5.524 -5.146 -6.490 1.00 0.00 O ATOM 1595 CB THR A 104 -7.147 -8.430 -6.872 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.189 -8.823 -7.846 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.447 -8.028 -7.568 1.00 0.00 C ATOM 0 H THR A 104 -8.696 -7.108 -5.563 1.00 0.00 H new ATOM 0 HA THR A 104 -5.874 -7.583 -5.303 1.00 0.00 H new ATOM 0 HB THR A 104 -7.344 -9.266 -6.201 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.542 -9.574 -8.367 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.823 -8.869 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.187 -7.744 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.259 -7.184 -8.231 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.477 -6.590 -8.137 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.693 -5.631 -8.983 1.00 0.00 C ATOM 1607 C LYS A 105 -5.158 -5.597 -10.441 1.00 0.00 C ATOM 1608 O LYS A 105 -4.344 -5.512 -11.340 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.259 -6.130 -8.917 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.332 -4.922 -8.965 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.797 -4.648 -7.565 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.622 -3.674 -7.648 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.586 -4.545 -7.703 1.00 0.00 N ATOM 0 H LYS A 105 -5.692 -7.486 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.819 -4.614 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.096 -6.698 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.052 -6.802 -9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.507 -5.108 -9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.869 -4.051 -9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.585 -4.230 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.478 -5.580 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.694 -3.040 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.594 -3.012 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.240 -4.187 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.060 -4.540 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.303 -5.517 -7.942 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.442 -5.616 -10.636 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.990 -5.530 -12.003 1.00 0.00 C ATOM 1629 C PRO A 106 -6.853 -4.083 -12.482 1.00 0.00 C ATOM 1630 O PRO A 106 -7.160 -3.753 -13.611 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.455 -5.918 -11.831 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.773 -5.596 -10.406 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.488 -5.718 -9.625 1.00 0.00 C ATOM 0 HA PRO A 106 -6.488 -6.166 -12.733 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.095 -5.360 -12.515 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.611 -6.976 -12.041 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.181 -4.589 -10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.527 -6.280 -10.016 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.399 -4.928 -8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.435 -6.667 -9.092 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.392 -3.214 -11.612 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.232 -1.788 -11.985 1.00 0.00 C ATOM 1643 C PHE A 107 -7.577 -1.226 -12.418 1.00 0.00 C ATOM 1644 O PHE A 107 -8.532 -1.955 -12.568 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.207 -1.790 -13.117 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.810 -1.874 -12.525 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.631 -2.134 -11.152 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.694 -1.684 -13.345 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.343 -2.199 -10.611 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.405 -1.753 -12.801 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.229 -2.011 -11.435 1.00 0.00 C ATOM 0 H PHE A 107 -6.120 -3.442 -10.656 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.891 -1.158 -11.163 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.384 -2.635 -13.783 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.307 -0.885 -13.716 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.491 -2.284 -10.516 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.826 -1.484 -14.398 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.209 -2.394 -9.557 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.544 -1.607 -13.436 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.234 -2.065 -11.019 1.00 0.00 H new ATOM 1661 N LEU A 108 -7.675 0.066 -12.573 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.982 0.677 -12.942 1.00 0.00 C ATOM 1663 C LEU A 108 -9.874 0.656 -11.693 1.00 0.00 C ATOM 1664 O LEU A 108 -10.359 -0.371 -11.267 1.00 0.00 O ATOM 1665 CB LEU A 108 -9.528 -0.175 -14.114 1.00 0.00 C ATOM 1666 CG LEU A 108 -10.738 -1.027 -13.703 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -11.935 -0.124 -13.397 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -11.089 -1.968 -14.855 1.00 0.00 C ATOM 0 H LEU A 108 -6.905 0.725 -12.460 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.922 1.716 -13.267 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.812 0.482 -14.936 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.737 -0.827 -14.485 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.494 -1.602 -12.810 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.788 -0.737 -13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.681 0.554 -12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.190 0.455 -14.284 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.947 -2.580 -14.577 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.333 -1.383 -15.742 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.238 -2.614 -15.070 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.054 1.784 -11.069 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.871 1.818 -9.824 1.00 0.00 C ATOM 1682 C ASP A 109 -10.127 1.073 -8.707 1.00 0.00 C ATOM 1683 O ASP A 109 -10.661 0.836 -7.643 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.169 1.093 -10.177 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.336 1.721 -9.414 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.305 2.922 -9.207 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -14.243 0.989 -9.052 1.00 0.00 O ATOM 0 H ASP A 109 -9.673 2.682 -11.365 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.061 2.833 -9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.350 1.153 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.086 0.035 -9.926 1.00 0.00 H new ATOM 1692 N SER A 110 -8.897 0.690 -8.951 1.00 0.00 N ATOM 1693 CA SER A 110 -8.121 -0.054 -7.914 1.00 0.00 C ATOM 1694 C SER A 110 -7.227 0.894 -7.100 1.00 0.00 C ATOM 1695 O SER A 110 -7.708 1.654 -6.282 1.00 0.00 O ATOM 1696 CB SER A 110 -7.282 -1.057 -8.703 1.00 0.00 C ATOM 1697 OG SER A 110 -8.110 -2.129 -9.131 1.00 0.00 O ATOM 0 H SER A 110 -8.398 0.861 -9.824 1.00 0.00 H new ATOM 0 HA SER A 110 -8.772 -0.542 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.826 -0.569 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.469 -1.435 -8.083 1.00 0.00 H new ATOM 0 HG SER A 110 -8.613 -1.856 -9.926 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.934 0.849 -7.303 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.024 1.739 -6.526 1.00 0.00 C ATOM 1705 C GLU A 111 -5.632 3.135 -6.380 1.00 0.00 C ATOM 1706 O GLU A 111 -5.807 3.630 -5.283 1.00 0.00 O ATOM 1707 CB GLU A 111 -3.722 1.793 -7.329 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.008 1.846 -8.836 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.468 3.158 -9.409 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.208 4.061 -8.630 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.324 3.237 -10.618 1.00 0.00 O ATOM 0 H GLU A 111 -5.472 0.234 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.857 1.366 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.144 2.669 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.113 0.918 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.540 0.998 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.080 1.771 -9.017 1.00 0.00 H new ATOM 1718 N LEU A 112 -5.941 3.767 -7.481 1.00 0.00 N ATOM 1719 CA LEU A 112 -6.540 5.147 -7.431 1.00 0.00 C ATOM 1720 C LEU A 112 -7.435 5.281 -6.200 1.00 0.00 C ATOM 1721 O LEU A 112 -7.241 6.148 -5.372 1.00 0.00 O ATOM 1722 CB LEU A 112 -7.411 5.339 -8.692 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.207 4.229 -9.724 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -8.295 4.343 -10.790 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -5.836 4.387 -10.388 1.00 0.00 C ATOM 0 H LEU A 112 -5.806 3.391 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.746 5.892 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.461 5.371 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.176 6.301 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.260 3.257 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.161 3.556 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.274 4.238 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.228 5.316 -11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.694 3.594 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.782 5.356 -10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.055 4.323 -9.630 1.00 0.00 H new ATOM 1737 N GLU A 113 -8.410 4.423 -6.073 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.309 4.493 -4.889 1.00 0.00 C ATOM 1739 C GLU A 113 -8.472 4.731 -3.637 1.00 0.00 C ATOM 1740 O GLU A 113 -8.757 5.594 -2.832 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.981 3.121 -4.822 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.380 3.267 -4.225 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.298 3.962 -5.231 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.340 5.181 -5.222 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.945 3.263 -5.994 1.00 0.00 O ATOM 0 H GLU A 113 -8.622 3.678 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.039 5.299 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.043 2.686 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -9.384 2.441 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.781 2.286 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.334 3.844 -3.301 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.431 3.972 -3.478 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.558 4.143 -2.284 1.00 0.00 C ATOM 1754 C ALA A 114 -6.098 5.594 -2.176 1.00 0.00 C ATOM 1755 O ALA A 114 -5.830 6.095 -1.103 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.369 3.219 -2.539 1.00 0.00 C ATOM 0 H ALA A 114 -7.143 3.237 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.070 3.903 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.672 3.283 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.721 2.192 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.864 3.521 -3.457 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.006 6.274 -3.281 1.00 0.00 N ATOM 1763 CA VAL A 115 -5.563 7.694 -3.241 1.00 0.00 C ATOM 1764 C VAL A 115 -6.762 8.625 -3.440 1.00 0.00 C ATOM 1765 O VAL A 115 -6.710 9.797 -3.125 1.00 0.00 O ATOM 1766 CB VAL A 115 -4.570 7.829 -4.393 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.843 9.168 -4.283 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -3.549 6.690 -4.325 1.00 0.00 C ATOM 0 H VAL A 115 -6.218 5.910 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.112 7.964 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.106 7.781 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.134 9.266 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.568 9.981 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.308 9.215 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.840 6.787 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.013 6.738 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.066 5.733 -4.402 1.00 0.00 H new ATOM 1778 N LEU A 116 -7.846 8.109 -3.954 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.052 8.961 -4.164 1.00 0.00 C ATOM 1780 C LEU A 116 -9.936 8.929 -2.914 1.00 0.00 C ATOM 1781 O LEU A 116 -10.798 9.761 -2.730 1.00 0.00 O ATOM 1782 CB LEU A 116 -9.785 8.330 -5.350 1.00 0.00 C ATOM 1783 CG LEU A 116 -9.172 8.833 -6.660 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.806 8.093 -7.840 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -9.437 10.335 -6.801 1.00 0.00 C ATOM 0 H LEU A 116 -7.949 7.135 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.795 10.003 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.715 7.244 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.845 8.583 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.098 8.650 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.369 8.452 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.621 7.023 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.881 8.276 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.001 10.695 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.512 10.516 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.986 10.864 -5.961 1.00 0.00 H new ATOM 1797 N VAL A 117 -9.725 7.969 -2.056 1.00 0.00 N ATOM 1798 CA VAL A 117 -10.550 7.874 -0.817 1.00 0.00 C ATOM 1799 C VAL A 117 -9.916 8.684 0.313 1.00 0.00 C ATOM 1800 O VAL A 117 -10.475 8.811 1.384 1.00 0.00 O ATOM 1801 CB VAL A 117 -10.555 6.388 -0.464 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.031 5.580 -1.668 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -9.138 5.955 -0.081 1.00 0.00 C ATOM 0 H VAL A 117 -9.015 7.244 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.555 8.269 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.228 6.213 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.035 4.520 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.039 5.892 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.359 5.751 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.137 4.895 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.465 6.128 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.801 6.533 0.779 1.00 0.00 H new ATOM 1813 N GLN A 118 -8.748 9.221 0.096 1.00 0.00 N ATOM 1814 CA GLN A 118 -8.089 10.005 1.177 1.00 0.00 C ATOM 1815 C GLN A 118 -8.210 11.508 0.911 1.00 0.00 C ATOM 1816 O GLN A 118 -8.642 12.261 1.761 1.00 0.00 O ATOM 1817 CB GLN A 118 -6.624 9.572 1.150 1.00 0.00 C ATOM 1818 CG GLN A 118 -5.990 9.847 2.514 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.817 9.162 3.603 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -6.871 9.629 4.724 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.467 8.066 3.320 1.00 0.00 N ATOM 0 H GLN A 118 -8.224 9.152 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 118 -8.551 9.823 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.551 8.511 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -6.087 10.113 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.965 9.477 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.945 10.921 2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.421 7.675 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.021 7.601 4.040 1.00 0.00 H new ATOM 1830 N ILE A 119 -7.825 11.955 -0.252 1.00 0.00 N ATOM 1831 CA ILE A 119 -7.919 13.420 -0.544 1.00 0.00 C ATOM 1832 C ILE A 119 -9.309 13.767 -1.094 1.00 0.00 C ATOM 1833 O ILE A 119 -9.562 14.884 -1.495 1.00 0.00 O ATOM 1834 CB ILE A 119 -6.794 13.750 -1.562 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -7.334 13.799 -3.003 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -5.672 12.710 -1.482 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -7.659 12.388 -3.497 1.00 0.00 C ATOM 0 H ILE A 119 -7.453 11.380 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.788 14.016 0.359 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.402 14.733 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.229 14.420 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.596 14.260 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -4.893 12.959 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.249 12.708 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -6.074 11.723 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.040 12.438 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.756 11.778 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.413 11.941 -2.850 1.00 0.00 H new ATOM 1849 N SER A 120 -10.214 12.824 -1.108 1.00 0.00 N ATOM 1850 CA SER A 120 -11.582 13.122 -1.630 1.00 0.00 C ATOM 1851 C SER A 120 -12.540 11.969 -1.333 1.00 0.00 C ATOM 1852 O SER A 120 -12.619 11.013 -2.076 1.00 0.00 O ATOM 1853 CB SER A 120 -11.408 13.279 -3.137 1.00 0.00 C ATOM 1854 OG SER A 120 -10.842 14.551 -3.415 1.00 0.00 O ATOM 0 H SER A 120 -10.068 11.868 -0.784 1.00 0.00 H new ATOM 0 HA SER A 120 -12.004 14.013 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.764 12.489 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.371 13.180 -3.638 1.00 0.00 H new ATOM 0 HG SER A 120 -10.569 14.978 -2.576 1.00 0.00 H new ATOM 1860 N LYS A 121 -13.278 12.055 -0.264 1.00 0.00 N ATOM 1861 CA LYS A 121 -14.236 10.964 0.065 1.00 0.00 C ATOM 1862 C LYS A 121 -14.984 11.297 1.355 1.00 0.00 C ATOM 1863 O LYS A 121 -15.122 10.468 2.231 1.00 0.00 O ATOM 1864 CB LYS A 121 -13.373 9.712 0.248 1.00 0.00 C ATOM 1865 CG LYS A 121 -14.267 8.513 0.570 1.00 0.00 C ATOM 1866 CD LYS A 121 -14.272 7.543 -0.615 1.00 0.00 C ATOM 1867 CE LYS A 121 -15.401 7.916 -1.579 1.00 0.00 C ATOM 1868 NZ LYS A 121 -15.629 6.693 -2.400 1.00 0.00 N ATOM 0 H LYS A 121 -13.260 12.832 0.396 1.00 0.00 H new ATOM 0 HA LYS A 121 -14.987 10.824 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.800 9.518 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -12.654 9.868 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -13.906 8.007 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -15.282 8.850 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -13.313 7.579 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.405 6.521 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -16.303 8.202 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -15.122 8.764 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -16.391 6.872 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -14.756 6.449 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.900 5.904 -1.779 1.00 0.00 H new ATOM 1882 N GLU A 122 -15.451 12.514 1.481 1.00 0.00 N ATOM 1883 CA GLU A 122 -16.180 12.920 2.715 1.00 0.00 C ATOM 1884 C GLU A 122 -15.463 12.343 3.926 1.00 0.00 C ATOM 1885 O GLU A 122 -16.062 11.997 4.926 1.00 0.00 O ATOM 1886 CB GLU A 122 -17.593 12.344 2.566 1.00 0.00 C ATOM 1887 CG GLU A 122 -17.571 10.826 2.758 1.00 0.00 C ATOM 1888 CD GLU A 122 -18.984 10.335 3.074 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -19.495 10.695 4.121 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -19.532 9.607 2.263 1.00 0.00 O ATOM 0 H GLU A 122 -15.357 13.246 0.777 1.00 0.00 H new ATOM 0 HA GLU A 122 -16.221 14.001 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -18.258 12.800 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -17.990 12.587 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -17.198 10.340 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -16.892 10.560 3.568 1.00 0.00 H new ATOM 1897 N VAL A 123 -14.171 12.236 3.827 1.00 0.00 N ATOM 1898 CA VAL A 123 -13.372 11.682 4.945 1.00 0.00 C ATOM 1899 C VAL A 123 -13.698 10.194 5.130 1.00 0.00 C ATOM 1900 O VAL A 123 -14.858 9.842 5.001 1.00 0.00 O ATOM 1901 CB VAL A 123 -13.767 12.527 6.171 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -14.200 11.639 7.346 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -12.567 13.374 6.598 1.00 0.00 C ATOM 0 H VAL A 123 -13.630 12.513 3.008 1.00 0.00 H new ATOM 0 HA VAL A 123 -12.297 11.732 4.772 1.00 0.00 H new ATOM 0 HB VAL A 123 -14.608 13.163 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -14.472 12.266 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -15.059 11.037 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -13.377 10.983 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.837 13.976 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.733 12.720 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.274 14.030 5.778 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 1.532 -9.208 -9.066 1.00 0.00 CA HETATM 1915 BE BEF A 202 -0.751 -7.022 -7.671 1.00 0.00 BE HETATM 1916 F1 BEF A 202 -0.403 -8.179 -8.942 1.00 0.00 F HETATM 1917 F2 BEF A 202 0.158 -8.053 -7.168 1.00 0.00 F HETATM 1918 F3 BEF A 202 -0.230 -6.273 -8.702 1.00 0.00 F