USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 5 THR OG1 : rot 11:sc= 0.993 USER MOD Set 1.2: A 92 GLN : amide:sc= -1.91 K(o=-0.91,f=-3.7!) USER MOD Set 2.1: A 79 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.4!) USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 44 SER OG : rot 35:sc= 0.647! USER MOD Set 3.2: A 61 SER OG : rot -90:sc= -1.57! USER MOD Set 3.3: A 70 MET CE :methyl -144:sc= -0.182 (180deg=-0.0618) USER MOD Set 4.1: A 51 HIS : no HD1:sc= -4.63! C(o=-7!,f=-8!) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -2.4 K(o=-7,f=-8.4) USER MOD Set 5.1: A 10 THR OG1 : rot -66:sc= -2.43 USER MOD Set 5.2: A 81 MET CE :methyl -113:sc= -4.67! (180deg=-7.61!) USER MOD Set 6.1: A 6 SER OG : rot 48:sc= -0.365 USER MOD Set 6.2: A 57 MET CE :methyl 158:sc= -6.23! (180deg=-5.95!) USER MOD Set 7.1: A 4 SER OG : rot 120:sc= 0.464 USER MOD Set 7.2: A 71 GLN : amide:sc= -1.76! C(o=-1.3!,f=-0.97!) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00397) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0526 (180deg=-0.0526) USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 12 SER OG : rot -60:sc= 1.1 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.19! C(o=-4.2!,f=-4.6!) USER MOD Single : A 21 CYS SG : rot -51:sc= -6.07! USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.011) USER MOD Single : A 23 HIS : no HD1:sc= -0.405 K(o=-0.4,f=-1.4) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 28:sc= 0.381 USER MOD Single : A 45 ASN : amide:sc= -6.24! C(o=-6.2!,f=-11!) USER MOD Single : A 46 CYS SG : rot 116:sc= -2.46! USER MOD Single : A 60 ASN : amide:sc= -3.18 K(o=-3.2,f=-4.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS :FLIP no HE2:sc= 0.0166 F(o=-0.66,f=0.017) USER MOD Single : A 72 ASN : amide:sc=-0.00334 X(o=-0.0033,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.39 K(o=-3.4,f=-4.2!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 46:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.682 15.200 -5.209 1.00 0.00 N ATOM 2 CA MET A 1 7.030 14.057 -4.512 1.00 0.00 C ATOM 3 C MET A 1 5.595 14.390 -4.113 1.00 0.00 C ATOM 4 O MET A 1 5.340 15.072 -3.123 1.00 0.00 O ATOM 5 CB MET A 1 7.874 13.664 -3.294 1.00 0.00 C ATOM 6 CG MET A 1 7.876 14.697 -2.178 1.00 0.00 C ATOM 7 SD MET A 1 7.600 13.968 -0.553 1.00 0.00 S ATOM 8 CE MET A 1 9.089 12.991 -0.362 1.00 0.00 C ATOM 0 H1 MET A 1 8.656 14.940 -5.466 1.00 0.00 H new ATOM 0 H2 MET A 1 7.147 15.433 -6.070 1.00 0.00 H new ATOM 0 H3 MET A 1 7.700 16.027 -4.578 1.00 0.00 H new ATOM 0 HA MET A 1 6.974 13.209 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.503 12.719 -2.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.901 13.493 -3.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.830 15.223 -2.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.102 15.439 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.083 12.506 0.614 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.130 12.233 -1.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.962 13.639 -0.439 1.00 0.00 H new ATOM 17 N PHE A 2 4.661 13.878 -4.902 1.00 0.00 N ATOM 18 CA PHE A 2 3.237 14.084 -4.659 1.00 0.00 C ATOM 19 C PHE A 2 2.732 12.973 -3.746 1.00 0.00 C ATOM 20 O PHE A 2 3.464 12.017 -3.487 1.00 0.00 O ATOM 21 CB PHE A 2 2.460 14.100 -5.986 1.00 0.00 C ATOM 22 CG PHE A 2 3.284 14.518 -7.172 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.882 15.767 -7.212 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.453 13.664 -8.251 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.635 16.156 -8.302 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.202 14.049 -9.344 1.00 0.00 C ATOM 27 CZ PHE A 2 4.795 15.296 -9.371 1.00 0.00 C ATOM 0 H PHE A 2 4.865 13.311 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 2 3.081 15.049 -4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.055 13.105 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.611 14.777 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.758 16.445 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.993 12.687 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.098 17.131 -8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.325 13.375 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.382 15.598 -10.226 1.00 0.00 H new ATOM 37 N ARG A 3 1.503 13.077 -3.242 1.00 0.00 N ATOM 38 CA ARG A 3 1.001 12.032 -2.356 1.00 0.00 C ATOM 39 C ARG A 3 -0.510 11.821 -2.471 1.00 0.00 C ATOM 40 O ARG A 3 -1.298 12.749 -2.282 1.00 0.00 O ATOM 41 CB ARG A 3 1.385 12.322 -0.897 1.00 0.00 C ATOM 42 CG ARG A 3 2.130 11.169 -0.253 1.00 0.00 C ATOM 43 CD ARG A 3 3.614 11.462 -0.101 1.00 0.00 C ATOM 44 NE ARG A 3 4.045 11.376 1.292 1.00 0.00 N ATOM 45 CZ ARG A 3 3.906 12.362 2.175 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.344 13.510 1.817 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.327 12.199 3.422 1.00 0.00 N ATOM 0 H ARG A 3 0.858 13.846 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 3 1.476 11.106 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.005 13.218 -0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.483 12.534 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.699 10.962 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.998 10.271 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.187 10.757 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.829 12.458 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 3 4.479 10.508 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.016 13.641 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.241 14.262 2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.757 11.318 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.221 12.954 4.099 1.00 0.00 H new ATOM 61 N SER A 4 -0.897 10.573 -2.750 1.00 0.00 N ATOM 62 CA SER A 4 -2.299 10.187 -2.864 1.00 0.00 C ATOM 63 C SER A 4 -2.638 9.218 -1.741 1.00 0.00 C ATOM 64 O SER A 4 -1.740 8.639 -1.130 1.00 0.00 O ATOM 65 CB SER A 4 -2.561 9.528 -4.224 1.00 0.00 C ATOM 66 OG SER A 4 -3.557 8.522 -4.127 1.00 0.00 O ATOM 0 H SER A 4 -0.244 9.804 -2.903 1.00 0.00 H new ATOM 0 HA SER A 4 -2.927 11.074 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.875 10.285 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.637 9.092 -4.603 1.00 0.00 H new ATOM 0 HG SER A 4 -4.309 8.749 -4.713 1.00 0.00 H new ATOM 72 N THR A 5 -3.924 9.033 -1.460 1.00 0.00 N ATOM 73 CA THR A 5 -4.312 8.120 -0.394 1.00 0.00 C ATOM 74 C THR A 5 -5.619 7.392 -0.696 1.00 0.00 C ATOM 75 O THR A 5 -6.632 8.013 -1.011 1.00 0.00 O ATOM 76 CB THR A 5 -4.431 8.861 0.946 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.580 9.689 0.955 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.238 9.739 1.288 1.00 0.00 C ATOM 0 H THR A 5 -4.697 9.491 -1.943 1.00 0.00 H new ATOM 0 HA THR A 5 -3.522 7.372 -0.326 1.00 0.00 H new ATOM 0 HB THR A 5 -4.490 8.069 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.137 9.484 0.176 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.407 10.224 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.339 9.125 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.112 10.498 0.516 1.00 0.00 H new ATOM 86 N SER A 6 -5.585 6.066 -0.573 1.00 0.00 N ATOM 87 CA SER A 6 -6.770 5.242 -0.808 1.00 0.00 C ATOM 88 C SER A 6 -7.263 4.617 0.501 1.00 0.00 C ATOM 89 O SER A 6 -6.480 4.035 1.252 1.00 0.00 O ATOM 90 CB SER A 6 -6.468 4.141 -1.829 1.00 0.00 C ATOM 91 OG SER A 6 -7.660 3.514 -2.269 1.00 0.00 O ATOM 0 H SER A 6 -4.751 5.540 -0.312 1.00 0.00 H new ATOM 0 HA SER A 6 -7.554 5.886 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.941 4.567 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.806 3.399 -1.383 1.00 0.00 H new ATOM 0 HG SER A 6 -8.319 4.198 -2.512 1.00 0.00 H new ATOM 97 N HIS A 7 -8.563 4.745 0.769 1.00 0.00 N ATOM 98 CA HIS A 7 -9.155 4.193 1.995 1.00 0.00 C ATOM 99 C HIS A 7 -10.122 3.051 1.675 1.00 0.00 C ATOM 100 O HIS A 7 -10.990 3.186 0.812 1.00 0.00 O ATOM 101 CB HIS A 7 -9.885 5.291 2.774 1.00 0.00 C ATOM 102 CG HIS A 7 -10.014 5.007 4.240 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.180 3.840 4.908 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -9.982 5.995 5.203 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.244 4.143 6.246 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.122 5.449 6.397 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.226 5.223 0.159 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.346 3.796 2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.353 6.233 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.880 5.424 2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.861 7.051 5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.373 3.428 7.045 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.134 5.951 7.285 1.00 0.00 H new ATOM 115 N VAL A 8 -9.965 1.922 2.373 1.00 0.00 N ATOM 116 CA VAL A 8 -10.824 0.757 2.154 1.00 0.00 C ATOM 117 C VAL A 8 -11.177 0.077 3.475 1.00 0.00 C ATOM 118 O VAL A 8 -10.411 0.152 4.436 1.00 0.00 O ATOM 119 CB VAL A 8 -10.144 -0.279 1.232 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.176 -1.204 0.603 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.313 0.410 0.159 1.00 0.00 C ATOM 0 H VAL A 8 -9.253 1.791 3.092 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.733 1.123 1.677 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.473 -0.883 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.673 -1.925 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.716 -1.734 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.879 -0.617 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.845 -0.341 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.957 1.048 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.541 1.018 0.631 1.00 0.00 H new ATOM 131 N ARG A 9 -12.319 -0.611 3.519 1.00 0.00 N ATOM 132 CA ARG A 9 -12.708 -1.317 4.740 1.00 0.00 C ATOM 133 C ARG A 9 -12.391 -2.808 4.608 1.00 0.00 C ATOM 134 O ARG A 9 -13.075 -3.539 3.892 1.00 0.00 O ATOM 135 CB ARG A 9 -14.200 -1.121 5.047 1.00 0.00 C ATOM 136 CG ARG A 9 -14.474 0.038 5.991 1.00 0.00 C ATOM 137 CD ARG A 9 -14.187 1.378 5.329 1.00 0.00 C ATOM 138 NE ARG A 9 -15.022 2.447 5.874 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.174 3.635 5.295 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.553 3.911 4.155 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.952 4.551 5.857 1.00 0.00 N ATOM 0 H ARG A 9 -12.977 -0.694 2.744 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.136 -0.899 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.737 -0.954 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.597 -2.037 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.514 0.007 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.859 -0.066 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.136 1.633 5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.357 1.296 4.256 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.517 2.272 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.955 3.210 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.674 4.824 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.433 4.344 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.069 5.462 5.414 1.00 0.00 H new ATOM 155 N THR A 10 -11.338 -3.246 5.300 1.00 0.00 N ATOM 156 CA THR A 10 -10.907 -4.643 5.264 1.00 0.00 C ATOM 157 C THR A 10 -10.699 -5.207 6.674 1.00 0.00 C ATOM 158 O THR A 10 -10.452 -4.457 7.611 1.00 0.00 O ATOM 159 CB THR A 10 -9.632 -4.772 4.428 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.822 -5.691 3.368 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.429 -5.229 5.218 1.00 0.00 C ATOM 0 H THR A 10 -10.765 -2.648 5.896 1.00 0.00 H new ATOM 0 HA THR A 10 -11.697 -5.232 4.798 1.00 0.00 H new ATOM 0 HB THR A 10 -9.434 -3.767 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.955 -6.590 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.564 -5.297 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.223 -4.513 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.630 -6.208 5.654 1.00 0.00 H new ATOM 169 N GLU A 11 -10.772 -6.528 6.817 1.00 0.00 N ATOM 170 CA GLU A 11 -10.564 -7.165 8.119 1.00 0.00 C ATOM 171 C GLU A 11 -9.195 -7.860 8.197 1.00 0.00 C ATOM 172 O GLU A 11 -8.708 -8.397 7.202 1.00 0.00 O ATOM 173 CB GLU A 11 -11.677 -8.175 8.389 1.00 0.00 C ATOM 174 CG GLU A 11 -12.504 -7.837 9.615 1.00 0.00 C ATOM 175 CD GLU A 11 -13.994 -7.847 9.338 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.472 -8.804 8.693 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.685 -6.897 9.764 1.00 0.00 O ATOM 0 H GLU A 11 -10.972 -7.176 6.055 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.587 -6.385 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.332 -8.226 7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.238 -9.165 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.281 -8.552 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.214 -6.853 9.984 1.00 0.00 H new ATOM 184 N SER A 12 -8.581 -7.849 9.389 1.00 0.00 N ATOM 185 CA SER A 12 -7.277 -8.480 9.596 1.00 0.00 C ATOM 186 C SER A 12 -6.224 -7.889 8.667 1.00 0.00 C ATOM 187 O SER A 12 -5.252 -8.550 8.297 1.00 0.00 O ATOM 188 CB SER A 12 -7.382 -9.990 9.393 1.00 0.00 C ATOM 189 OG SER A 12 -6.101 -10.594 9.359 1.00 0.00 O ATOM 0 H SER A 12 -8.970 -7.409 10.223 1.00 0.00 H new ATOM 0 HA SER A 12 -6.965 -8.283 10.622 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.972 -10.427 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.910 -10.198 8.462 1.00 0.00 H new ATOM 0 HG SER A 12 -5.583 -10.220 8.616 1.00 0.00 H new ATOM 195 N ALA A 13 -6.434 -6.637 8.295 1.00 0.00 N ATOM 196 CA ALA A 13 -5.519 -5.920 7.401 1.00 0.00 C ATOM 197 C ALA A 13 -4.066 -5.945 7.873 1.00 0.00 C ATOM 198 O ALA A 13 -3.153 -6.200 7.088 1.00 0.00 O ATOM 199 CB ALA A 13 -5.960 -4.477 7.266 1.00 0.00 C ATOM 0 H ALA A 13 -7.237 -6.085 8.598 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.560 -6.437 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.277 -3.949 6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.968 -4.442 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.952 -4.001 8.247 1.00 0.00 H new ATOM 205 N ALA A 14 -3.856 -5.618 9.141 1.00 0.00 N ATOM 206 CA ALA A 14 -2.504 -5.535 9.715 1.00 0.00 C ATOM 207 C ALA A 14 -1.567 -6.668 9.280 1.00 0.00 C ATOM 208 O ALA A 14 -0.348 -6.492 9.276 1.00 0.00 O ATOM 209 CB ALA A 14 -2.599 -5.468 11.227 1.00 0.00 C ATOM 0 H ALA A 14 -4.604 -5.403 9.801 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.054 -4.623 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.597 -5.407 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.171 -4.587 11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.097 -6.363 11.600 1.00 0.00 H new ATOM 215 N ARG A 15 -2.115 -7.825 8.933 1.00 0.00 N ATOM 216 CA ARG A 15 -1.292 -8.959 8.525 1.00 0.00 C ATOM 217 C ARG A 15 -0.863 -8.871 7.065 1.00 0.00 C ATOM 218 O ARG A 15 0.267 -9.220 6.721 1.00 0.00 O ATOM 219 CB ARG A 15 -2.055 -10.259 8.764 1.00 0.00 C ATOM 220 CG ARG A 15 -1.156 -11.476 8.878 1.00 0.00 C ATOM 221 CD ARG A 15 -0.475 -11.826 7.561 1.00 0.00 C ATOM 222 NE ARG A 15 -0.855 -13.155 7.086 1.00 0.00 N ATOM 223 CZ ARG A 15 -0.619 -14.281 7.755 1.00 0.00 C ATOM 224 NH1 ARG A 15 0.023 -14.251 8.917 1.00 0.00 N ATOM 225 NH2 ARG A 15 -1.019 -15.444 7.257 1.00 0.00 N ATOM 0 H ARG A 15 -3.119 -8.004 8.925 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.385 -8.939 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.642 -10.164 9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.760 -10.413 7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.397 -11.292 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.745 -12.328 9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.738 -11.083 6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.607 -11.782 7.689 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.330 -13.224 6.186 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.339 -13.361 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.200 -15.118 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.507 -15.475 6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.838 -16.307 7.769 1.00 0.00 H new ATOM 239 N TYR A 16 -1.762 -8.416 6.210 1.00 0.00 N ATOM 240 CA TYR A 16 -1.458 -8.305 4.785 1.00 0.00 C ATOM 241 C TYR A 16 -0.357 -7.282 4.553 1.00 0.00 C ATOM 242 O TYR A 16 0.345 -7.347 3.552 1.00 0.00 O ATOM 243 CB TYR A 16 -2.707 -7.956 3.963 1.00 0.00 C ATOM 244 CG TYR A 16 -3.859 -8.959 4.056 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.677 -10.289 4.456 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.152 -8.555 3.740 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.745 -11.162 4.537 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.219 -9.429 3.819 1.00 0.00 C ATOM 249 CZ TYR A 16 -6.011 -10.728 4.219 1.00 0.00 C ATOM 250 OH TYR A 16 -7.074 -11.597 4.301 1.00 0.00 O ATOM 0 H TYR A 16 -2.702 -8.118 6.470 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.106 -9.279 4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.071 -6.980 4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.417 -7.859 2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.686 -10.638 4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.325 -7.536 3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.586 -12.184 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.214 -9.093 3.567 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.897 -11.132 4.044 1.00 0.00 H new ATOM 260 N VAL A 17 -0.190 -6.351 5.491 1.00 0.00 N ATOM 261 CA VAL A 17 0.860 -5.343 5.374 1.00 0.00 C ATOM 262 C VAL A 17 2.189 -5.908 5.879 1.00 0.00 C ATOM 263 O VAL A 17 3.235 -5.707 5.263 1.00 0.00 O ATOM 264 CB VAL A 17 0.524 -4.053 6.168 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.776 -3.234 6.454 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.475 -3.192 5.421 1.00 0.00 C ATOM 0 H VAL A 17 -0.762 -6.274 6.332 1.00 0.00 H new ATOM 0 HA VAL A 17 0.937 -5.082 4.319 1.00 0.00 H new ATOM 0 HB VAL A 17 0.085 -4.371 7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.505 -2.337 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.474 -3.830 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.246 -2.948 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.690 -2.296 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.058 -2.906 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.396 -3.754 5.267 1.00 0.00 H new ATOM 276 N ASN A 18 2.135 -6.597 7.016 1.00 0.00 N ATOM 277 CA ASN A 18 3.330 -7.171 7.623 1.00 0.00 C ATOM 278 C ASN A 18 3.881 -8.351 6.825 1.00 0.00 C ATOM 279 O ASN A 18 5.082 -8.614 6.855 1.00 0.00 O ATOM 280 CB ASN A 18 3.026 -7.617 9.055 1.00 0.00 C ATOM 281 CG ASN A 18 2.380 -6.519 9.877 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.518 -5.335 9.571 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.669 -6.908 10.930 1.00 0.00 N ATOM 0 H ASN A 18 1.274 -6.771 7.535 1.00 0.00 H new ATOM 0 HA ASN A 18 4.093 -6.393 7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.367 -8.485 9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.950 -7.933 9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.211 -6.214 11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.581 -7.901 11.147 1.00 0.00 H new ATOM 290 N ARG A 19 3.014 -9.082 6.133 1.00 0.00 N ATOM 291 CA ARG A 19 3.452 -10.238 5.367 1.00 0.00 C ATOM 292 C ARG A 19 4.120 -9.849 4.047 1.00 0.00 C ATOM 293 O ARG A 19 4.827 -10.657 3.448 1.00 0.00 O ATOM 294 CB ARG A 19 2.266 -11.162 5.105 1.00 0.00 C ATOM 295 CG ARG A 19 2.607 -12.627 5.279 1.00 0.00 C ATOM 296 CD ARG A 19 2.520 -13.074 6.734 1.00 0.00 C ATOM 297 NE ARG A 19 2.918 -12.024 7.675 1.00 0.00 N ATOM 298 CZ ARG A 19 3.656 -12.238 8.765 1.00 0.00 C ATOM 299 NH1 ARG A 19 4.066 -13.463 9.075 1.00 0.00 N ATOM 300 NH2 ARG A 19 3.976 -11.223 9.555 1.00 0.00 N ATOM 0 H ARG A 19 2.012 -8.895 6.088 1.00 0.00 H new ATOM 0 HA ARG A 19 4.203 -10.758 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.453 -10.901 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.902 -10.998 4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.928 -13.230 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.614 -12.810 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.498 -13.384 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.156 -13.947 6.880 1.00 0.00 H new ATOM 0 HE ARG A 19 2.612 -11.070 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.817 -14.251 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.630 -13.616 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.658 -10.281 9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.540 -11.384 10.389 1.00 0.00 H new ATOM 314 N LEU A 20 3.888 -8.625 3.589 1.00 0.00 N ATOM 315 CA LEU A 20 4.468 -8.164 2.327 1.00 0.00 C ATOM 316 C LEU A 20 5.970 -7.922 2.436 1.00 0.00 C ATOM 317 O LEU A 20 6.735 -8.341 1.566 1.00 0.00 O ATOM 318 CB LEU A 20 3.789 -6.881 1.859 1.00 0.00 C ATOM 319 CG LEU A 20 2.278 -6.975 1.654 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.777 -5.733 0.939 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.888 -8.231 0.873 1.00 0.00 C ATOM 0 H LEU A 20 3.307 -7.936 4.066 1.00 0.00 H new ATOM 0 HA LEU A 20 4.302 -8.959 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.991 -6.096 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.247 -6.569 0.920 1.00 0.00 H new ATOM 0 HG LEU A 20 1.810 -7.043 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.699 -5.806 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.005 -4.851 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.267 -5.649 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.806 -8.261 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.366 -8.213 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.215 -9.116 1.420 1.00 0.00 H new ATOM 333 N CYS A 21 6.391 -7.235 3.491 1.00 0.00 N ATOM 334 CA CYS A 21 7.809 -6.933 3.679 1.00 0.00 C ATOM 335 C CYS A 21 8.650 -8.200 3.590 1.00 0.00 C ATOM 336 O CYS A 21 9.710 -8.214 2.967 1.00 0.00 O ATOM 337 CB CYS A 21 8.039 -6.245 5.025 1.00 0.00 C ATOM 338 SG CYS A 21 7.515 -7.224 6.449 1.00 0.00 S ATOM 0 H CYS A 21 5.779 -6.878 4.225 1.00 0.00 H new ATOM 0 HA CYS A 21 8.117 -6.256 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.099 -6.013 5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.503 -5.296 5.033 1.00 0.00 H new ATOM 0 HG CYS A 21 6.298 -7.642 6.264 1.00 0.00 H new ATOM 344 N LYS A 22 8.163 -9.262 4.207 1.00 0.00 N ATOM 345 CA LYS A 22 8.861 -10.539 4.189 1.00 0.00 C ATOM 346 C LYS A 22 8.660 -11.239 2.846 1.00 0.00 C ATOM 347 O LYS A 22 9.421 -12.134 2.478 1.00 0.00 O ATOM 348 CB LYS A 22 8.359 -11.432 5.324 1.00 0.00 C ATOM 349 CG LYS A 22 8.544 -10.829 6.713 1.00 0.00 C ATOM 350 CD LYS A 22 7.302 -11.020 7.570 1.00 0.00 C ATOM 351 CE LYS A 22 7.125 -12.472 7.977 1.00 0.00 C ATOM 352 NZ LYS A 22 8.067 -12.865 9.061 1.00 0.00 N ATOM 0 H LYS A 22 7.286 -9.267 4.728 1.00 0.00 H new ATOM 0 HA LYS A 22 9.926 -10.352 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.301 -11.641 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.883 -12.387 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.400 -11.293 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.766 -9.766 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.375 -10.397 8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.423 -10.686 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.100 -12.633 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.282 -13.114 7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.868 -13.842 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.044 -12.801 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.947 -12.227 9.873 1.00 0.00 H new ATOM 366 N HIS A 23 7.616 -10.831 2.129 1.00 0.00 N ATOM 367 CA HIS A 23 7.287 -11.420 0.834 1.00 0.00 C ATOM 368 C HIS A 23 8.069 -10.780 -0.312 1.00 0.00 C ATOM 369 O HIS A 23 8.839 -11.455 -0.996 1.00 0.00 O ATOM 370 CB HIS A 23 5.788 -11.298 0.561 1.00 0.00 C ATOM 371 CG HIS A 23 5.295 -12.232 -0.501 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.856 -12.306 -1.759 1.00 0.00 N ATOM 373 CD2 HIS A 23 4.288 -13.138 -0.487 1.00 0.00 C ATOM 374 CE1 HIS A 23 5.214 -13.214 -2.472 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.259 -13.733 -1.724 1.00 0.00 N ATOM 0 H HIS A 23 6.980 -10.091 2.425 1.00 0.00 H new ATOM 0 HA HIS A 23 7.571 -12.471 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.242 -11.490 1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.563 -10.273 0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.631 -13.352 0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.434 -13.486 -3.494 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.605 -14.459 -2.017 1.00 0.00 H new ATOM 384 N TRP A 24 7.855 -9.485 -0.538 1.00 0.00 N ATOM 385 CA TRP A 24 8.531 -8.789 -1.625 1.00 0.00 C ATOM 386 C TRP A 24 9.932 -8.329 -1.220 1.00 0.00 C ATOM 387 O TRP A 24 10.724 -7.926 -2.071 1.00 0.00 O ATOM 388 CB TRP A 24 7.696 -7.595 -2.085 1.00 0.00 C ATOM 389 CG TRP A 24 6.375 -7.988 -2.672 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.260 -8.386 -1.990 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.030 -8.021 -4.061 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.244 -8.665 -2.872 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.691 -8.449 -4.149 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.723 -7.730 -5.241 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.033 -8.592 -5.368 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.068 -7.872 -6.449 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.735 -8.300 -6.505 1.00 0.00 C ATOM 0 H TRP A 24 7.224 -8.903 0.013 1.00 0.00 H new ATOM 0 HA TRP A 24 8.641 -9.492 -2.451 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.526 -6.931 -1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.261 -7.029 -2.825 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.188 -8.469 -0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.308 -8.982 -2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.751 -7.400 -5.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.006 -8.922 -5.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.593 -7.649 -7.366 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.252 -8.401 -7.466 1.00 0.00 H new ATOM 408 N GLY A 25 10.242 -8.388 0.079 1.00 0.00 N ATOM 409 CA GLY A 25 11.554 -7.972 0.539 1.00 0.00 C ATOM 410 C GLY A 25 12.655 -8.910 0.088 1.00 0.00 C ATOM 411 O GLY A 25 13.293 -9.568 0.909 1.00 0.00 O ATOM 0 H GLY A 25 9.611 -8.714 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.763 -6.968 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.552 -7.917 1.628 1.00 0.00 H new ATOM 415 N HIS A 26 12.879 -8.969 -1.218 1.00 0.00 N ATOM 416 CA HIS A 26 13.913 -9.831 -1.777 1.00 0.00 C ATOM 417 C HIS A 26 15.063 -9.004 -2.340 1.00 0.00 C ATOM 418 O HIS A 26 16.206 -9.458 -2.374 1.00 0.00 O ATOM 419 CB HIS A 26 13.326 -10.722 -2.874 1.00 0.00 C ATOM 420 CG HIS A 26 13.910 -12.100 -2.899 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.685 -13.031 -1.907 1.00 0.00 N ATOM 422 CD2 HIS A 26 14.714 -12.706 -3.805 1.00 0.00 C ATOM 423 CE1 HIS A 26 14.326 -14.149 -2.200 1.00 0.00 C ATOM 424 NE2 HIS A 26 14.957 -13.977 -3.347 1.00 0.00 N ATOM 0 H HIS A 26 12.359 -8.430 -1.911 1.00 0.00 H new ATOM 0 HA HIS A 26 14.299 -10.460 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.248 -10.795 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.490 -10.249 -3.842 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.093 -12.270 -4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.333 -15.049 -1.603 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.532 -14.676 -3.817 1.00 0.00 H new ATOM 433 N LYS A 27 14.753 -7.789 -2.785 1.00 0.00 N ATOM 434 CA LYS A 27 15.772 -6.907 -3.351 1.00 0.00 C ATOM 435 C LYS A 27 15.408 -5.437 -3.130 1.00 0.00 C ATOM 436 O LYS A 27 15.907 -4.551 -3.823 1.00 0.00 O ATOM 437 CB LYS A 27 15.930 -7.204 -4.852 1.00 0.00 C ATOM 438 CG LYS A 27 16.856 -6.250 -5.601 1.00 0.00 C ATOM 439 CD LYS A 27 16.069 -5.259 -6.446 1.00 0.00 C ATOM 440 CE LYS A 27 15.760 -5.818 -7.826 1.00 0.00 C ATOM 441 NZ LYS A 27 16.231 -4.912 -8.910 1.00 0.00 N ATOM 0 H LYS A 27 13.813 -7.394 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 27 16.719 -7.094 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.307 -8.220 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.946 -7.174 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.477 -5.709 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.529 -6.821 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.138 -5.007 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.638 -4.334 -6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.233 -6.794 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.685 -5.972 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.002 -5.329 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.760 -3.989 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.260 -4.785 -8.833 1.00 0.00 H new ATOM 455 N PHE A 28 14.536 -5.179 -2.159 1.00 0.00 N ATOM 456 CA PHE A 28 14.120 -3.816 -1.863 1.00 0.00 C ATOM 457 C PHE A 28 14.000 -3.595 -0.365 1.00 0.00 C ATOM 458 O PHE A 28 13.900 -4.547 0.409 1.00 0.00 O ATOM 459 CB PHE A 28 12.795 -3.502 -2.557 1.00 0.00 C ATOM 460 CG PHE A 28 12.935 -3.322 -4.041 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.365 -2.114 -4.567 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.642 -4.361 -4.910 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.500 -1.946 -5.931 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.775 -4.199 -6.276 1.00 0.00 C ATOM 465 CZ PHE A 28 13.204 -2.990 -6.788 1.00 0.00 C ATOM 0 H PHE A 28 14.108 -5.892 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 28 14.884 -3.138 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.089 -4.308 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.372 -2.595 -2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.597 -1.295 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.306 -5.308 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.837 -1.000 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.544 -5.017 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.308 -2.860 -7.855 1.00 0.00 H new ATOM 475 N GLU A 29 14.008 -2.330 0.040 1.00 0.00 N ATOM 476 CA GLU A 29 13.896 -1.996 1.453 1.00 0.00 C ATOM 477 C GLU A 29 12.453 -2.142 1.907 1.00 0.00 C ATOM 478 O GLU A 29 11.563 -1.462 1.399 1.00 0.00 O ATOM 479 CB GLU A 29 14.399 -0.576 1.718 1.00 0.00 C ATOM 480 CG GLU A 29 13.568 0.503 1.048 1.00 0.00 C ATOM 481 CD GLU A 29 14.121 1.894 1.291 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.196 2.211 0.739 1.00 0.00 O ATOM 483 OE2 GLU A 29 13.480 2.667 2.035 1.00 0.00 O ATOM 0 H GLU A 29 14.090 -1.527 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 29 14.518 -2.686 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.409 -0.399 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.430 -0.495 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.528 0.313 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.544 0.452 1.419 1.00 0.00 H new ATOM 490 N VAL A 30 12.220 -3.047 2.847 1.00 0.00 N ATOM 491 CA VAL A 30 10.871 -3.290 3.342 1.00 0.00 C ATOM 492 C VAL A 30 10.811 -3.251 4.871 1.00 0.00 C ATOM 493 O VAL A 30 11.357 -4.124 5.545 1.00 0.00 O ATOM 494 CB VAL A 30 10.329 -4.653 2.848 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.535 -4.497 1.560 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.462 -5.650 2.650 1.00 0.00 C ATOM 0 H VAL A 30 12.942 -3.622 3.280 1.00 0.00 H new ATOM 0 HA VAL A 30 10.247 -2.489 2.946 1.00 0.00 H new ATOM 0 HB VAL A 30 9.659 -5.037 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.168 -5.472 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.690 -3.830 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.177 -4.078 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.055 -6.599 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.162 -5.263 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.982 -5.803 3.596 1.00 0.00 H new ATOM 506 N GLU A 31 10.129 -2.239 5.409 1.00 0.00 N ATOM 507 CA GLU A 31 9.979 -2.093 6.852 1.00 0.00 C ATOM 508 C GLU A 31 8.691 -2.766 7.317 1.00 0.00 C ATOM 509 O GLU A 31 7.770 -2.968 6.525 1.00 0.00 O ATOM 510 CB GLU A 31 9.971 -0.613 7.240 1.00 0.00 C ATOM 511 CG GLU A 31 10.795 -0.305 8.480 1.00 0.00 C ATOM 512 CD GLU A 31 10.893 1.182 8.760 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.152 1.949 7.809 1.00 0.00 O ATOM 514 OE2 GLU A 31 10.711 1.579 9.930 1.00 0.00 O ATOM 0 H GLU A 31 9.672 -1.508 4.863 1.00 0.00 H new ATOM 0 HA GLU A 31 10.825 -2.576 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.352 -0.025 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.942 -0.296 7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.350 -0.805 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.798 -0.715 8.357 1.00 0.00 H new ATOM 521 N LEU A 32 8.632 -3.129 8.594 1.00 0.00 N ATOM 522 CA LEU A 32 7.452 -3.797 9.132 1.00 0.00 C ATOM 523 C LEU A 32 7.104 -3.306 10.532 1.00 0.00 C ATOM 524 O LEU A 32 7.804 -3.605 11.500 1.00 0.00 O ATOM 525 CB LEU A 32 7.686 -5.309 9.159 1.00 0.00 C ATOM 526 CG LEU A 32 6.428 -6.188 9.254 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.815 -7.636 9.530 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.484 -5.677 10.337 1.00 0.00 C ATOM 0 H LEU A 32 9.380 -2.974 9.270 1.00 0.00 H new ATOM 0 HA LEU A 32 6.611 -3.558 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.232 -5.588 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.331 -5.541 10.006 1.00 0.00 H new ATOM 0 HG LEU A 32 5.906 -6.138 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.915 -8.247 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.446 -8.004 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.361 -7.694 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.603 -6.317 10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.994 -5.692 11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.180 -4.657 10.103 1.00 0.00 H new ATOM 540 N THR A 33 5.997 -2.580 10.634 1.00 0.00 N ATOM 541 CA THR A 33 5.524 -2.079 11.918 1.00 0.00 C ATOM 542 C THR A 33 4.063 -2.473 12.092 1.00 0.00 C ATOM 543 O THR A 33 3.348 -2.648 11.106 1.00 0.00 O ATOM 544 CB THR A 33 5.673 -0.558 11.988 1.00 0.00 C ATOM 545 OG1 THR A 33 5.373 0.034 10.737 1.00 0.00 O ATOM 546 CG2 THR A 33 7.064 -0.111 12.386 1.00 0.00 C ATOM 0 H THR A 33 5.409 -2.325 9.840 1.00 0.00 H new ATOM 0 HA THR A 33 6.121 -2.514 12.719 1.00 0.00 H new ATOM 0 HB THR A 33 4.971 -0.234 12.756 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.733 -0.529 10.254 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.101 0.978 12.417 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.307 -0.510 13.371 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.787 -0.478 11.657 1.00 0.00 H new ATOM 554 N PRO A 34 3.588 -2.614 13.336 1.00 0.00 N ATOM 555 CA PRO A 34 2.197 -2.983 13.597 1.00 0.00 C ATOM 556 C PRO A 34 1.257 -1.831 13.292 1.00 0.00 C ATOM 557 O PRO A 34 0.471 -1.408 14.139 1.00 0.00 O ATOM 558 CB PRO A 34 2.185 -3.314 15.083 1.00 0.00 C ATOM 559 CG PRO A 34 3.325 -2.546 15.663 1.00 0.00 C ATOM 560 CD PRO A 34 4.358 -2.415 14.574 1.00 0.00 C ATOM 0 HA PRO A 34 1.859 -3.811 12.974 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.240 -3.025 15.543 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.306 -4.384 15.249 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.996 -1.564 16.005 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.739 -3.063 16.529 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.839 -1.437 14.594 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.147 -3.160 14.679 1.00 0.00 H new ATOM 568 N GLU A 35 1.365 -1.326 12.072 1.00 0.00 N ATOM 569 CA GLU A 35 0.559 -0.206 11.619 1.00 0.00 C ATOM 570 C GLU A 35 0.610 -0.069 10.098 1.00 0.00 C ATOM 571 O GLU A 35 -0.380 0.300 9.468 1.00 0.00 O ATOM 572 CB GLU A 35 1.066 1.090 12.259 1.00 0.00 C ATOM 573 CG GLU A 35 0.889 1.140 13.766 1.00 0.00 C ATOM 574 CD GLU A 35 1.025 2.543 14.323 1.00 0.00 C ATOM 575 OE1 GLU A 35 1.985 3.244 13.938 1.00 0.00 O ATOM 576 OE2 GLU A 35 0.174 2.941 15.146 1.00 0.00 O ATOM 0 H GLU A 35 2.014 -1.682 11.370 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.473 -0.391 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.123 1.211 12.023 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.541 1.934 11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.092 0.743 14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.629 0.493 14.237 1.00 0.00 H new ATOM 583 N ARG A 36 1.774 -0.353 9.511 1.00 0.00 N ATOM 584 CA ARG A 36 1.942 -0.241 8.072 1.00 0.00 C ATOM 585 C ARG A 36 3.257 -0.840 7.603 1.00 0.00 C ATOM 586 O ARG A 36 4.146 -1.144 8.398 1.00 0.00 O ATOM 587 CB ARG A 36 1.897 1.226 7.642 1.00 0.00 C ATOM 588 CG ARG A 36 2.736 2.138 8.521 1.00 0.00 C ATOM 589 CD ARG A 36 2.480 3.604 8.221 1.00 0.00 C ATOM 590 NE ARG A 36 3.721 4.341 7.995 1.00 0.00 N ATOM 591 CZ ARG A 36 3.819 5.667 8.068 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.754 6.403 8.358 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.986 6.257 7.849 1.00 0.00 N ATOM 0 H ARG A 36 2.607 -0.660 10.012 1.00 0.00 H new ATOM 0 HA ARG A 36 1.122 -0.796 7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.245 1.306 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.863 1.570 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.514 1.938 9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.793 1.916 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.843 3.688 7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.937 4.055 9.052 1.00 0.00 H new ATOM 0 HE ARG A 36 4.561 3.809 7.768 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.854 5.954 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.835 7.418 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.807 5.695 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.062 7.273 7.905 1.00 0.00 H new ATOM 607 N GLY A 37 3.372 -0.961 6.290 1.00 0.00 N ATOM 608 CA GLY A 37 4.577 -1.472 5.682 1.00 0.00 C ATOM 609 C GLY A 37 5.245 -0.380 4.870 1.00 0.00 C ATOM 610 O GLY A 37 4.568 0.523 4.384 1.00 0.00 O ATOM 0 H GLY A 37 2.638 -0.709 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.258 -1.834 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.340 -2.321 5.041 1.00 0.00 H new ATOM 614 N PHE A 38 6.559 -0.436 4.729 1.00 0.00 N ATOM 615 CA PHE A 38 7.276 0.585 3.979 1.00 0.00 C ATOM 616 C PHE A 38 8.177 -0.063 2.942 1.00 0.00 C ATOM 617 O PHE A 38 9.100 -0.797 3.285 1.00 0.00 O ATOM 618 CB PHE A 38 8.086 1.444 4.952 1.00 0.00 C ATOM 619 CG PHE A 38 8.951 2.491 4.305 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.394 3.511 3.544 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.329 2.471 4.481 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.195 4.483 2.976 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.131 3.438 3.910 1.00 0.00 C ATOM 624 CZ PHE A 38 10.564 4.446 3.158 1.00 0.00 C ATOM 0 H PHE A 38 7.148 -1.171 5.120 1.00 0.00 H new ATOM 0 HA PHE A 38 6.567 1.223 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.397 1.936 5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.720 0.789 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.325 3.545 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.779 1.688 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.750 5.273 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.201 3.406 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.189 5.205 2.712 1.00 0.00 H new ATOM 634 N ILE A 39 7.902 0.210 1.672 1.00 0.00 N ATOM 635 CA ILE A 39 8.698 -0.363 0.590 1.00 0.00 C ATOM 636 C ILE A 39 9.119 0.715 -0.407 1.00 0.00 C ATOM 637 O ILE A 39 8.289 1.218 -1.165 1.00 0.00 O ATOM 638 CB ILE A 39 7.937 -1.473 -0.182 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.071 -2.326 0.769 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.927 -2.346 -0.950 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.670 -3.679 0.209 1.00 0.00 C ATOM 0 H ILE A 39 7.142 0.818 1.367 1.00 0.00 H new ATOM 0 HA ILE A 39 9.575 -0.805 1.063 1.00 0.00 H new ATOM 0 HB ILE A 39 7.264 -0.996 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.618 -2.479 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.169 -1.768 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.385 -3.123 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.481 -1.731 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.623 -2.808 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.064 -4.211 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.093 -3.538 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.565 -4.261 -0.013 1.00 0.00 H new ATOM 653 N ASP A 40 10.407 1.058 -0.427 1.00 0.00 N ATOM 654 CA ASP A 40 10.898 2.063 -1.366 1.00 0.00 C ATOM 655 C ASP A 40 11.537 1.375 -2.561 1.00 0.00 C ATOM 656 O ASP A 40 12.348 0.462 -2.407 1.00 0.00 O ATOM 657 CB ASP A 40 11.886 3.051 -0.699 1.00 0.00 C ATOM 658 CG ASP A 40 13.261 3.073 -1.349 1.00 0.00 C ATOM 659 OD1 ASP A 40 13.919 2.013 -1.392 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.678 4.154 -1.815 1.00 0.00 O ATOM 0 H ASP A 40 11.119 0.661 0.187 1.00 0.00 H new ATOM 0 HA ASP A 40 10.048 2.655 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.461 4.054 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.995 2.787 0.353 1.00 0.00 H new ATOM 665 N PHE A 41 11.158 1.807 -3.751 1.00 0.00 N ATOM 666 CA PHE A 41 11.693 1.221 -4.972 1.00 0.00 C ATOM 667 C PHE A 41 12.783 2.105 -5.576 1.00 0.00 C ATOM 668 O PHE A 41 13.285 1.826 -6.665 1.00 0.00 O ATOM 669 CB PHE A 41 10.570 1.010 -5.993 1.00 0.00 C ATOM 670 CG PHE A 41 9.800 -0.264 -5.794 1.00 0.00 C ATOM 671 CD1 PHE A 41 10.290 -1.466 -6.277 1.00 0.00 C ATOM 672 CD2 PHE A 41 8.585 -0.259 -5.127 1.00 0.00 C ATOM 673 CE1 PHE A 41 9.584 -2.641 -6.098 1.00 0.00 C ATOM 674 CE2 PHE A 41 7.874 -1.430 -4.946 1.00 0.00 C ATOM 675 CZ PHE A 41 8.374 -2.622 -5.431 1.00 0.00 C ATOM 0 H PHE A 41 10.485 2.558 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 41 12.135 0.258 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.880 1.852 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.998 1.012 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.235 -1.486 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.190 0.670 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.977 -3.572 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.928 -1.413 -4.426 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.820 -3.538 -5.289 1.00 0.00 H new ATOM 685 N GLY A 42 13.147 3.169 -4.865 1.00 0.00 N ATOM 686 CA GLY A 42 14.175 4.069 -5.351 1.00 0.00 C ATOM 687 C GLY A 42 13.710 5.511 -5.422 1.00 0.00 C ATOM 688 O GLY A 42 13.809 6.250 -4.442 1.00 0.00 O ATOM 0 H GLY A 42 12.748 3.423 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.046 4.005 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.495 3.746 -6.342 1.00 0.00 H new ATOM 692 N ASP A 43 13.203 5.913 -6.584 1.00 0.00 N ATOM 693 CA ASP A 43 12.725 7.279 -6.779 1.00 0.00 C ATOM 694 C ASP A 43 11.239 7.394 -6.444 1.00 0.00 C ATOM 695 O ASP A 43 10.461 7.955 -7.215 1.00 0.00 O ATOM 696 CB ASP A 43 12.973 7.726 -8.220 1.00 0.00 C ATOM 697 CG ASP A 43 13.391 9.181 -8.310 1.00 0.00 C ATOM 698 OD1 ASP A 43 14.341 9.570 -7.598 1.00 0.00 O ATOM 699 OD2 ASP A 43 12.769 9.931 -9.091 1.00 0.00 O ATOM 0 H ASP A 43 13.112 5.313 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 43 13.279 7.930 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.747 7.100 -8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.066 7.574 -8.806 1.00 0.00 H new ATOM 704 N SER A 44 10.858 6.858 -5.287 1.00 0.00 N ATOM 705 CA SER A 44 9.471 6.892 -4.828 1.00 0.00 C ATOM 706 C SER A 44 9.311 5.993 -3.599 1.00 0.00 C ATOM 707 O SER A 44 10.300 5.633 -2.962 1.00 0.00 O ATOM 708 CB SER A 44 8.517 6.454 -5.950 1.00 0.00 C ATOM 709 OG SER A 44 7.192 6.293 -5.477 1.00 0.00 O ATOM 0 H SER A 44 11.497 6.390 -4.644 1.00 0.00 H new ATOM 0 HA SER A 44 9.215 7.915 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.531 7.195 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.867 5.515 -6.379 1.00 0.00 H new ATOM 0 HG SER A 44 7.007 6.963 -4.786 1.00 0.00 H new ATOM 715 N ASN A 45 8.075 5.635 -3.261 1.00 0.00 N ATOM 716 CA ASN A 45 7.823 4.785 -2.105 1.00 0.00 C ATOM 717 C ASN A 45 6.388 4.274 -2.111 1.00 0.00 C ATOM 718 O ASN A 45 5.550 4.761 -2.870 1.00 0.00 O ATOM 719 CB ASN A 45 8.091 5.558 -0.809 1.00 0.00 C ATOM 720 CG ASN A 45 9.346 5.086 -0.103 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.465 3.917 0.262 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.292 5.997 0.094 1.00 0.00 N ATOM 0 H ASN A 45 7.238 5.919 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 45 8.498 3.931 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.183 6.620 -1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.238 5.447 -0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.159 5.738 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.151 6.955 -0.225 1.00 0.00 H new ATOM 729 N CYS A 46 6.107 3.301 -1.253 1.00 0.00 N ATOM 730 CA CYS A 46 4.767 2.742 -1.156 1.00 0.00 C ATOM 731 C CYS A 46 4.507 2.224 0.255 1.00 0.00 C ATOM 732 O CYS A 46 4.980 1.151 0.632 1.00 0.00 O ATOM 733 CB CYS A 46 4.589 1.618 -2.174 1.00 0.00 C ATOM 734 SG CYS A 46 2.896 1.006 -2.311 1.00 0.00 S ATOM 0 H CYS A 46 6.787 2.885 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 46 4.045 3.529 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.915 1.973 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.242 0.789 -1.901 1.00 0.00 H new ATOM 0 HG CYS A 46 2.440 1.254 -3.503 1.00 0.00 H new ATOM 740 N GLU A 47 3.758 2.999 1.030 1.00 0.00 N ATOM 741 CA GLU A 47 3.433 2.633 2.402 1.00 0.00 C ATOM 742 C GLU A 47 1.984 2.167 2.487 1.00 0.00 C ATOM 743 O GLU A 47 1.145 2.596 1.696 1.00 0.00 O ATOM 744 CB GLU A 47 3.664 3.841 3.317 1.00 0.00 C ATOM 745 CG GLU A 47 4.134 3.503 4.728 1.00 0.00 C ATOM 746 CD GLU A 47 4.814 4.678 5.404 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.265 5.798 5.344 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.897 4.477 5.994 1.00 0.00 O ATOM 0 H GLU A 47 3.363 3.890 0.729 1.00 0.00 H new ATOM 0 HA GLU A 47 4.076 1.814 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.402 4.494 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.736 4.408 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.280 3.186 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.825 2.661 4.687 1.00 0.00 H new ATOM 755 N LEU A 48 1.687 1.284 3.437 1.00 0.00 N ATOM 756 CA LEU A 48 0.324 0.783 3.579 1.00 0.00 C ATOM 757 C LEU A 48 -0.084 0.659 5.034 1.00 0.00 C ATOM 758 O LEU A 48 0.548 -0.055 5.802 1.00 0.00 O ATOM 759 CB LEU A 48 0.137 -0.570 2.876 1.00 0.00 C ATOM 760 CG LEU A 48 1.334 -1.533 2.913 1.00 0.00 C ATOM 761 CD1 LEU A 48 0.974 -2.854 2.246 1.00 0.00 C ATOM 762 CD2 LEU A 48 2.550 -0.915 2.235 1.00 0.00 C ATOM 0 H LEU A 48 2.357 0.907 4.107 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.321 1.518 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.719 -1.073 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.116 -0.380 1.833 1.00 0.00 H new ATOM 0 HG LEU A 48 1.584 -1.723 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.832 -3.525 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.135 -3.310 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.696 -2.673 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.384 -1.616 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.312 -0.692 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.825 0.005 2.750 1.00 0.00 H new ATOM 774 N LEU A 49 -1.175 1.330 5.390 1.00 0.00 N ATOM 775 CA LEU A 49 -1.695 1.265 6.757 1.00 0.00 C ATOM 776 C LEU A 49 -2.658 0.100 6.862 1.00 0.00 C ATOM 777 O LEU A 49 -3.527 -0.067 6.009 1.00 0.00 O ATOM 778 CB LEU A 49 -2.397 2.563 7.160 1.00 0.00 C ATOM 779 CG LEU A 49 -2.481 2.805 8.671 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.444 3.827 9.108 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.880 3.262 9.060 1.00 0.00 C ATOM 0 H LEU A 49 -1.715 1.922 4.758 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.856 1.124 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.873 3.401 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.407 2.556 6.751 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.271 1.865 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.520 3.985 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.447 3.461 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.621 4.769 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.922 3.429 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.118 4.189 8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.603 2.495 8.784 1.00 0.00 H new ATOM 793 N ALA A 50 -2.483 -0.728 7.881 1.00 0.00 N ATOM 794 CA ALA A 50 -3.333 -1.894 8.032 1.00 0.00 C ATOM 795 C ALA A 50 -3.731 -2.165 9.475 1.00 0.00 C ATOM 796 O ALA A 50 -2.912 -2.580 10.296 1.00 0.00 O ATOM 797 CB ALA A 50 -2.629 -3.096 7.434 1.00 0.00 C ATOM 0 H ALA A 50 -1.772 -0.616 8.603 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.264 -1.696 7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.260 -3.978 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.436 -2.916 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.684 -3.260 7.953 1.00 0.00 H new ATOM 803 N HIS A 51 -5.013 -1.956 9.763 1.00 0.00 N ATOM 804 CA HIS A 51 -5.560 -2.201 11.075 1.00 0.00 C ATOM 805 C HIS A 51 -6.550 -3.372 10.995 1.00 0.00 C ATOM 806 O HIS A 51 -6.981 -3.758 9.909 1.00 0.00 O ATOM 807 CB HIS A 51 -6.225 -0.930 11.627 1.00 0.00 C ATOM 808 CG HIS A 51 -5.887 -0.653 13.061 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.792 -0.124 13.958 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.738 -0.840 13.758 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.216 0.006 15.140 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.971 -0.422 15.045 1.00 0.00 N ATOM 0 H HIS A 51 -5.694 -1.612 9.086 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.760 -2.469 11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.922 -0.078 11.019 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.307 -1.023 11.528 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.813 -1.242 13.372 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.684 0.396 16.032 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.291 -0.439 15.805 1.00 0.00 H new ATOM 821 N PRO A 52 -6.900 -3.964 12.140 1.00 0.00 N ATOM 822 CA PRO A 52 -7.812 -5.116 12.216 1.00 0.00 C ATOM 823 C PRO A 52 -9.090 -4.975 11.389 1.00 0.00 C ATOM 824 O PRO A 52 -9.739 -5.978 11.092 1.00 0.00 O ATOM 825 CB PRO A 52 -8.145 -5.189 13.703 1.00 0.00 C ATOM 826 CG PRO A 52 -6.936 -4.643 14.373 1.00 0.00 C ATOM 827 CD PRO A 52 -6.411 -3.568 13.461 1.00 0.00 C ATOM 0 HA PRO A 52 -7.343 -6.009 11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.032 -4.603 13.942 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.346 -6.213 14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.183 -4.237 15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.190 -5.422 14.529 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.782 -2.584 13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.322 -3.518 13.486 1.00 0.00 H new ATOM 835 N ASP A 53 -9.474 -3.752 11.025 1.00 0.00 N ATOM 836 CA ASP A 53 -10.699 -3.572 10.251 1.00 0.00 C ATOM 837 C ASP A 53 -10.598 -2.484 9.186 1.00 0.00 C ATOM 838 O ASP A 53 -11.568 -2.243 8.466 1.00 0.00 O ATOM 839 CB ASP A 53 -11.874 -3.276 11.184 1.00 0.00 C ATOM 840 CG ASP A 53 -13.199 -3.741 10.611 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.340 -3.743 9.371 1.00 0.00 O ATOM 842 OD2 ASP A 53 -14.094 -4.101 11.404 1.00 0.00 O ATOM 0 H ASP A 53 -8.970 -2.893 11.246 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.863 -4.510 9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.705 -3.765 12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.921 -2.204 11.376 1.00 0.00 H new ATOM 847 N HIS A 54 -9.442 -1.848 9.041 1.00 0.00 N ATOM 848 CA HIS A 54 -9.300 -0.831 8.004 1.00 0.00 C ATOM 849 C HIS A 54 -7.893 -0.823 7.415 1.00 0.00 C ATOM 850 O HIS A 54 -6.942 -1.269 8.056 1.00 0.00 O ATOM 851 CB HIS A 54 -9.674 0.559 8.519 1.00 0.00 C ATOM 852 CG HIS A 54 -8.896 1.001 9.719 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.717 1.711 9.629 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.141 0.851 11.042 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.272 1.977 10.845 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.118 1.467 11.721 1.00 0.00 N ATOM 0 H HIS A 54 -8.611 -2.010 9.609 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.998 -1.093 7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.526 1.283 7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.736 0.569 8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.985 0.341 11.482 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.369 2.520 11.082 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.027 1.521 12.735 1.00 0.00 H new ATOM 865 N VAL A 55 -7.764 -0.318 6.185 1.00 0.00 N ATOM 866 CA VAL A 55 -6.476 -0.265 5.523 1.00 0.00 C ATOM 867 C VAL A 55 -6.318 1.035 4.742 1.00 0.00 C ATOM 868 O VAL A 55 -7.236 1.480 4.054 1.00 0.00 O ATOM 869 CB VAL A 55 -6.285 -1.475 4.578 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.819 -1.192 3.178 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.824 -1.892 4.521 1.00 0.00 C ATOM 0 H VAL A 55 -8.538 0.057 5.637 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.708 -0.304 6.296 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.865 -2.301 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.665 -2.067 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.884 -0.967 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.290 -0.340 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.715 -2.744 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.223 -1.061 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.486 -2.170 5.519 1.00 0.00 H new ATOM 881 N LEU A 56 -5.143 1.629 4.850 1.00 0.00 N ATOM 882 CA LEU A 56 -4.842 2.875 4.151 1.00 0.00 C ATOM 883 C LEU A 56 -3.680 2.655 3.190 1.00 0.00 C ATOM 884 O LEU A 56 -2.784 1.855 3.458 1.00 0.00 O ATOM 885 CB LEU A 56 -4.505 3.999 5.152 1.00 0.00 C ATOM 886 CG LEU A 56 -5.497 5.170 5.227 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.092 6.134 6.333 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.589 5.909 3.896 1.00 0.00 C ATOM 0 H LEU A 56 -4.375 1.270 5.417 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.723 3.181 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.422 3.558 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.523 4.399 4.898 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.481 4.759 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.803 6.959 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.087 5.610 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.095 6.525 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.299 6.731 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.608 6.304 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.925 5.221 3.120 1.00 0.00 H new ATOM 900 N MET A 57 -3.706 3.355 2.066 1.00 0.00 N ATOM 901 CA MET A 57 -2.656 3.218 1.063 1.00 0.00 C ATOM 902 C MET A 57 -2.090 4.582 0.675 1.00 0.00 C ATOM 903 O MET A 57 -2.790 5.407 0.091 1.00 0.00 O ATOM 904 CB MET A 57 -3.215 2.481 -0.156 1.00 0.00 C ATOM 905 CG MET A 57 -4.112 1.314 0.232 1.00 0.00 C ATOM 906 SD MET A 57 -4.732 0.405 -1.197 1.00 0.00 S ATOM 907 CE MET A 57 -6.489 0.723 -1.067 1.00 0.00 C ATOM 0 H MET A 57 -4.439 4.022 1.824 1.00 0.00 H new ATOM 0 HA MET A 57 -1.834 2.636 1.481 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.780 3.180 -0.772 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.389 2.114 -0.765 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.556 0.633 0.877 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.955 1.687 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.958 0.580 -2.041 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.931 0.034 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.650 1.748 -0.734 1.00 0.00 H new ATOM 917 N ILE A 58 -0.816 4.817 1.007 1.00 0.00 N ATOM 918 CA ILE A 58 -0.167 6.080 0.698 1.00 0.00 C ATOM 919 C ILE A 58 1.117 5.847 -0.090 1.00 0.00 C ATOM 920 O ILE A 58 1.876 4.924 0.207 1.00 0.00 O ATOM 921 CB ILE A 58 0.180 6.861 1.984 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.058 7.004 2.888 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.767 8.218 1.632 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.381 8.433 3.286 1.00 0.00 C ATOM 0 H ILE A 58 -0.220 4.144 1.490 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.868 6.663 0.101 1.00 0.00 H new ATOM 0 HB ILE A 58 0.930 6.301 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.920 6.579 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.904 6.414 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.007 8.759 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.674 8.080 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.041 8.789 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.266 8.442 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.538 8.858 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.571 9.026 2.391 1.00 0.00 H new ATOM 936 N LEU A 59 1.362 6.689 -1.088 1.00 0.00 N ATOM 937 CA LEU A 59 2.563 6.563 -1.901 1.00 0.00 C ATOM 938 C LEU A 59 3.430 7.811 -1.800 1.00 0.00 C ATOM 939 O LEU A 59 2.960 8.879 -1.433 1.00 0.00 O ATOM 940 CB LEU A 59 2.199 6.292 -3.373 1.00 0.00 C ATOM 941 CG LEU A 59 1.305 7.324 -4.075 1.00 0.00 C ATOM 942 CD1 LEU A 59 -0.127 7.196 -3.588 1.00 0.00 C ATOM 943 CD2 LEU A 59 1.818 8.740 -3.872 1.00 0.00 C ATOM 0 H LEU A 59 0.749 7.461 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 59 3.133 5.717 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.126 6.206 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.702 5.323 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 59 1.333 7.118 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.751 7.933 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.498 6.195 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.162 7.368 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.160 9.442 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.838 8.971 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.825 8.824 -4.280 1.00 0.00 H new ATOM 955 N ASN A 60 4.690 7.674 -2.166 1.00 0.00 N ATOM 956 CA ASN A 60 5.613 8.799 -2.171 1.00 0.00 C ATOM 957 C ASN A 60 6.363 8.762 -3.483 1.00 0.00 C ATOM 958 O ASN A 60 7.249 7.935 -3.668 1.00 0.00 O ATOM 959 CB ASN A 60 6.595 8.721 -0.996 1.00 0.00 C ATOM 960 CG ASN A 60 6.488 9.915 -0.069 1.00 0.00 C ATOM 961 OD1 ASN A 60 6.340 11.053 -0.515 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.568 9.662 1.232 1.00 0.00 N ATOM 0 H ASN A 60 5.102 6.790 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 60 5.060 9.732 -2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.408 7.808 -0.430 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.613 8.654 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.507 10.426 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.691 8.704 1.559 1.00 0.00 H new ATOM 969 N SER A 61 5.979 9.616 -4.419 1.00 0.00 N ATOM 970 CA SER A 61 6.620 9.590 -5.737 1.00 0.00 C ATOM 971 C SER A 61 6.769 10.976 -6.367 1.00 0.00 C ATOM 972 O SER A 61 5.855 11.798 -6.308 1.00 0.00 O ATOM 973 CB SER A 61 5.799 8.709 -6.670 1.00 0.00 C ATOM 974 OG SER A 61 5.022 7.780 -5.933 1.00 0.00 O ATOM 0 H SER A 61 5.249 10.319 -4.303 1.00 0.00 H new ATOM 0 HA SER A 61 7.626 9.195 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.146 9.330 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.462 8.176 -7.351 1.00 0.00 H new ATOM 0 HG SER A 61 5.535 6.956 -5.802 1.00 0.00 H new ATOM 980 N PRO A 62 7.929 11.237 -7.003 1.00 0.00 N ATOM 981 CA PRO A 62 8.213 12.510 -7.677 1.00 0.00 C ATOM 982 C PRO A 62 7.521 12.639 -9.029 1.00 0.00 C ATOM 983 O PRO A 62 7.606 13.684 -9.675 1.00 0.00 O ATOM 984 CB PRO A 62 9.721 12.461 -7.852 1.00 0.00 C ATOM 985 CG PRO A 62 10.023 11.018 -8.025 1.00 0.00 C ATOM 986 CD PRO A 62 9.062 10.297 -7.126 1.00 0.00 C ATOM 0 HA PRO A 62 7.850 13.365 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.040 13.041 -8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.236 12.874 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.894 10.712 -9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.055 10.798 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.749 9.345 -7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.508 10.078 -6.156 1.00 0.00 H new ATOM 994 N ASP A 63 6.826 11.586 -9.457 1.00 0.00 N ATOM 995 CA ASP A 63 6.124 11.621 -10.729 1.00 0.00 C ATOM 996 C ASP A 63 4.851 10.778 -10.642 1.00 0.00 C ATOM 997 O ASP A 63 4.816 9.782 -9.919 1.00 0.00 O ATOM 998 CB ASP A 63 7.041 11.124 -11.855 1.00 0.00 C ATOM 999 CG ASP A 63 6.295 10.855 -13.148 1.00 0.00 C ATOM 1000 OD1 ASP A 63 6.161 11.791 -13.962 1.00 0.00 O ATOM 1001 OD2 ASP A 63 5.846 9.706 -13.346 1.00 0.00 O ATOM 0 H ASP A 63 6.737 10.709 -8.944 1.00 0.00 H new ATOM 0 HA ASP A 63 5.840 12.649 -10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.819 11.866 -12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.541 10.211 -11.533 1.00 0.00 H new ATOM 1006 N GLU A 64 3.797 11.178 -11.356 1.00 0.00 N ATOM 1007 CA GLU A 64 2.532 10.419 -11.297 1.00 0.00 C ATOM 1008 C GLU A 64 2.728 8.965 -11.724 1.00 0.00 C ATOM 1009 O GLU A 64 2.176 8.066 -11.096 1.00 0.00 O ATOM 1010 CB GLU A 64 1.409 11.065 -12.118 1.00 0.00 C ATOM 1011 CG GLU A 64 0.586 12.052 -11.306 1.00 0.00 C ATOM 1012 CD GLU A 64 1.124 13.467 -11.386 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.865 13.766 -12.346 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.806 14.275 -10.489 1.00 0.00 O ATOM 0 H GLU A 64 3.784 11.996 -11.966 1.00 0.00 H new ATOM 0 HA GLU A 64 2.223 10.439 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.841 11.578 -12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.754 10.286 -12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.444 12.039 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.568 11.733 -10.264 1.00 0.00 H new ATOM 1021 N ASP A 65 3.520 8.719 -12.771 1.00 0.00 N ATOM 1022 CA ASP A 65 3.766 7.345 -13.211 1.00 0.00 C ATOM 1023 C ASP A 65 4.142 6.500 -12.005 1.00 0.00 C ATOM 1024 O ASP A 65 3.498 5.496 -11.702 1.00 0.00 O ATOM 1025 CB ASP A 65 4.896 7.314 -14.231 1.00 0.00 C ATOM 1026 CG ASP A 65 4.996 5.982 -14.948 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.056 4.940 -14.262 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.014 5.981 -16.198 1.00 0.00 O ATOM 0 H ASP A 65 3.993 9.437 -13.319 1.00 0.00 H new ATOM 0 HA ASP A 65 2.864 6.947 -13.677 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.741 8.106 -14.963 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.840 7.524 -13.729 1.00 0.00 H new ATOM 1033 N SER A 66 5.161 6.961 -11.291 1.00 0.00 N ATOM 1034 CA SER A 66 5.608 6.303 -10.070 1.00 0.00 C ATOM 1035 C SER A 66 4.462 6.313 -9.065 1.00 0.00 C ATOM 1036 O SER A 66 4.006 5.275 -8.591 1.00 0.00 O ATOM 1037 CB SER A 66 6.817 7.036 -9.490 1.00 0.00 C ATOM 1038 OG SER A 66 7.964 6.852 -10.301 1.00 0.00 O ATOM 0 H SER A 66 5.696 7.793 -11.539 1.00 0.00 H new ATOM 0 HA SER A 66 5.901 5.276 -10.290 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.595 8.100 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.018 6.671 -8.483 1.00 0.00 H new ATOM 0 HG SER A 66 8.723 7.333 -9.909 1.00 0.00 H new ATOM 1044 N LEU A 67 3.996 7.524 -8.788 1.00 0.00 N ATOM 1045 CA LEU A 67 2.883 7.787 -7.876 1.00 0.00 C ATOM 1046 C LEU A 67 1.768 6.756 -8.037 1.00 0.00 C ATOM 1047 O LEU A 67 1.436 6.045 -7.088 1.00 0.00 O ATOM 1048 CB LEU A 67 2.386 9.212 -8.173 1.00 0.00 C ATOM 1049 CG LEU A 67 1.078 9.666 -7.530 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.854 11.141 -7.805 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.110 8.852 -8.021 1.00 0.00 C ATOM 0 H LEU A 67 4.388 8.371 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 67 3.212 7.707 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.167 9.908 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.278 9.309 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 67 1.161 9.504 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.081 11.459 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.679 11.718 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.802 11.307 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.020 9.208 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.205 8.963 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.043 7.801 -7.776 1.00 0.00 H new ATOM 1063 N ALA A 68 1.196 6.670 -9.228 1.00 0.00 N ATOM 1064 CA ALA A 68 0.127 5.713 -9.478 1.00 0.00 C ATOM 1065 C ALA A 68 0.659 4.289 -9.399 1.00 0.00 C ATOM 1066 O ALA A 68 -0.027 3.387 -8.918 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.514 5.972 -10.833 1.00 0.00 C ATOM 0 H ALA A 68 1.450 7.245 -10.031 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.636 5.838 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.311 5.248 -11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.929 6.980 -10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.238 5.875 -11.616 1.00 0.00 H new ATOM 1073 N HIS A 69 1.893 4.094 -9.859 1.00 0.00 N ATOM 1074 CA HIS A 69 2.518 2.779 -9.822 1.00 0.00 C ATOM 1075 C HIS A 69 2.469 2.217 -8.408 1.00 0.00 C ATOM 1076 O HIS A 69 2.271 1.021 -8.210 1.00 0.00 O ATOM 1077 CB HIS A 69 3.968 2.858 -10.304 1.00 0.00 C ATOM 1078 CG HIS A 69 4.590 1.519 -10.552 1.00 0.00 C ATOM 1079 ND1 HIS A 69 4.095 0.269 -10.391 1.00 0.00 N flip ATOM 1080 CD2 HIS A 69 5.877 1.362 -11.023 1.00 0.00 C flip ATOM 1081 CE1 HIS A 69 5.082 -0.610 -10.764 1.00 0.00 C flip ATOM 1082 NE2 HIS A 69 6.145 0.074 -11.142 1.00 0.00 N flip ATOM 0 H HIS A 69 2.476 4.829 -10.260 1.00 0.00 H new ATOM 0 HA HIS A 69 1.967 2.116 -10.489 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.005 3.443 -11.223 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.560 3.393 -9.562 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.163 0.026 -10.055 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.559 2.166 -11.258 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.001 -1.687 -10.750 1.00 0.00 H new ATOM 1091 N MET A 70 2.652 3.097 -7.427 1.00 0.00 N ATOM 1092 CA MET A 70 2.629 2.686 -6.022 1.00 0.00 C ATOM 1093 C MET A 70 1.191 2.519 -5.513 1.00 0.00 C ATOM 1094 O MET A 70 0.821 1.444 -5.041 1.00 0.00 O ATOM 1095 CB MET A 70 3.380 3.700 -5.142 1.00 0.00 C ATOM 1096 CG MET A 70 4.434 4.519 -5.871 1.00 0.00 C ATOM 1097 SD MET A 70 5.560 3.505 -6.852 1.00 0.00 S ATOM 1098 CE MET A 70 6.816 3.120 -5.634 1.00 0.00 C ATOM 0 H MET A 70 2.817 4.093 -7.575 1.00 0.00 H new ATOM 0 HA MET A 70 3.132 1.721 -5.957 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.655 4.381 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.859 3.164 -4.322 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.940 5.239 -6.524 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.009 5.091 -5.143 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.794 3.096 -6.115 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.813 3.883 -4.855 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.606 2.147 -5.190 1.00 0.00 H new ATOM 1108 N GLN A 71 0.383 3.583 -5.595 1.00 0.00 N ATOM 1109 CA GLN A 71 -1.003 3.521 -5.121 1.00 0.00 C ATOM 1110 C GLN A 71 -1.776 2.373 -5.771 1.00 0.00 C ATOM 1111 O GLN A 71 -2.699 1.825 -5.171 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.769 4.843 -5.332 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.373 5.646 -6.556 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.579 6.097 -7.359 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.190 7.123 -7.060 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.927 5.331 -8.387 1.00 0.00 N ATOM 0 H GLN A 71 0.661 4.486 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.934 3.341 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.834 4.618 -5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.628 5.467 -4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.798 6.518 -6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.722 5.043 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.392 4.489 -8.599 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.729 5.585 -8.964 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.402 2.009 -6.994 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.079 0.923 -7.698 1.00 0.00 C ATOM 1127 C ASN A 72 -1.567 -0.436 -7.229 1.00 0.00 C ATOM 1128 O ASN A 72 -2.352 -1.351 -6.979 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.891 1.060 -9.209 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.080 0.535 -9.989 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.001 -0.510 -10.635 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.192 1.260 -9.933 1.00 0.00 N ATOM 0 H ASN A 72 -0.641 2.445 -7.515 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.142 0.989 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.730 2.109 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.994 0.519 -9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.025 0.957 -10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.213 2.120 -9.385 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.248 -0.562 -7.110 1.00 0.00 N ATOM 1140 CA VAL A 73 0.370 -1.809 -6.668 1.00 0.00 C ATOM 1141 C VAL A 73 -0.335 -2.362 -5.427 1.00 0.00 C ATOM 1142 O VAL A 73 -0.574 -3.566 -5.324 1.00 0.00 O ATOM 1143 CB VAL A 73 1.876 -1.608 -6.372 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.414 -2.685 -5.438 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.670 -1.585 -7.670 1.00 0.00 C ATOM 0 H VAL A 73 0.415 0.186 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 73 0.267 -2.531 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 73 1.991 -0.648 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.474 -2.510 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.871 -2.652 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.282 -3.664 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.727 -1.443 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.534 -2.530 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.318 -0.766 -8.297 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.667 -1.477 -4.494 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.347 -1.887 -3.267 1.00 0.00 C ATOM 1157 C VAL A 74 -2.794 -2.288 -3.552 1.00 0.00 C ATOM 1158 O VAL A 74 -3.252 -3.332 -3.090 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.331 -0.775 -2.196 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.086 -1.207 -0.943 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.095 -0.377 -1.842 1.00 0.00 C ATOM 0 H VAL A 74 -0.479 -0.477 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.799 -2.746 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.836 0.094 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.058 -0.404 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.122 -1.427 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.618 -2.099 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.077 0.408 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.629 -1.244 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.602 -0.009 -2.734 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.512 -1.464 -4.324 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.899 -1.761 -4.669 1.00 0.00 C ATOM 1173 C ALA A 75 -5.023 -3.201 -5.145 1.00 0.00 C ATOM 1174 O ALA A 75 -6.066 -3.837 -4.994 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.406 -0.806 -5.742 1.00 0.00 C ATOM 0 H ALA A 75 -3.155 -0.593 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.511 -1.629 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.441 -1.046 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.347 0.218 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.792 -0.906 -6.637 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.934 -3.705 -5.714 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.892 -5.073 -6.212 1.00 0.00 C ATOM 1183 C ASP A 76 -3.748 -6.065 -5.059 1.00 0.00 C ATOM 1184 O ASP A 76 -4.403 -7.108 -5.041 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.734 -5.246 -7.196 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.094 -6.148 -8.359 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -4.293 -6.228 -8.701 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.177 -6.776 -8.929 1.00 0.00 O ATOM 0 H ASP A 76 -3.066 -3.184 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.830 -5.275 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.435 -4.269 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.874 -5.661 -6.671 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.885 -5.738 -4.098 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.658 -6.609 -2.947 1.00 0.00 C ATOM 1195 C HIS A 77 -3.957 -6.854 -2.179 1.00 0.00 C ATOM 1196 O HIS A 77 -4.239 -7.980 -1.770 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.590 -6.016 -2.021 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.319 -5.657 -2.729 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.092 -5.942 -4.060 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.800 -5.037 -2.283 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.110 -5.514 -4.401 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.671 -4.959 -3.342 1.00 0.00 N ATOM 0 H HIS A 77 -2.334 -4.880 -4.094 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.298 -7.568 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.992 -5.125 -1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.367 -6.733 -1.231 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.975 -4.672 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.558 -5.603 -5.380 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.601 -4.540 -3.315 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.753 -5.802 -1.998 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.023 -5.923 -1.299 1.00 0.00 C ATOM 1213 C LEU A 78 -6.986 -6.794 -2.104 1.00 0.00 C ATOM 1214 O LEU A 78 -7.893 -7.410 -1.550 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.643 -4.536 -1.069 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.889 -3.604 -0.109 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.770 -2.426 0.278 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.434 -4.355 1.136 1.00 0.00 C ATOM 0 H LEU A 78 -4.539 -4.860 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.842 -6.392 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.730 -4.036 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.655 -4.673 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.003 -3.230 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.225 -1.772 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.046 -1.869 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.671 -2.792 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.903 -3.672 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.303 -4.761 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.770 -5.170 0.847 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.785 -6.828 -3.420 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.641 -7.614 -4.304 1.00 0.00 C ATOM 1232 C GLN A 79 -7.366 -9.115 -4.186 1.00 0.00 C ATOM 1233 O GLN A 79 -8.298 -9.920 -4.180 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.465 -7.161 -5.756 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.332 -7.926 -6.743 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.792 -7.064 -7.903 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.848 -5.839 -7.798 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.125 -7.703 -9.018 1.00 0.00 N ATOM 0 H GLN A 79 -6.039 -6.321 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.672 -7.443 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.699 -6.099 -5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.419 -7.276 -6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.773 -8.779 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.203 -8.325 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.063 -8.720 -9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.443 -7.177 -9.832 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.093 -9.495 -4.092 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.730 -10.903 -3.974 1.00 0.00 C ATOM 1249 C ARG A 80 -6.295 -11.483 -2.690 1.00 0.00 C ATOM 1250 O ARG A 80 -6.724 -12.636 -2.645 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.211 -11.067 -3.992 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.557 -10.492 -5.234 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.615 -11.490 -5.888 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.527 -11.883 -4.996 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.514 -11.084 -4.666 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.448 -9.850 -5.148 1.00 0.00 N ATOM 1257 NH2 ARG A 80 0.435 -11.521 -3.849 1.00 0.00 N ATOM 0 H ARG A 80 -5.302 -8.851 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.151 -11.440 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.790 -10.582 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.967 -12.127 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.327 -10.197 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.005 -9.590 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.176 -12.375 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.199 -11.054 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.544 -12.824 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.176 -9.508 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.331 -9.243 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.389 -12.468 -3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.211 -10.910 -3.596 1.00 0.00 H new ATOM 1271 N MET A 81 -6.285 -10.667 -1.648 1.00 0.00 N ATOM 1272 CA MET A 81 -6.792 -11.085 -0.345 1.00 0.00 C ATOM 1273 C MET A 81 -8.314 -10.969 -0.267 1.00 0.00 C ATOM 1274 O MET A 81 -8.934 -11.477 0.667 1.00 0.00 O ATOM 1275 CB MET A 81 -6.138 -10.265 0.770 1.00 0.00 C ATOM 1276 CG MET A 81 -6.370 -8.760 0.683 1.00 0.00 C ATOM 1277 SD MET A 81 -8.030 -8.268 1.190 1.00 0.00 S ATOM 1278 CE MET A 81 -7.660 -6.834 2.195 1.00 0.00 C ATOM 0 H MET A 81 -5.932 -9.711 -1.676 1.00 0.00 H new ATOM 0 HA MET A 81 -6.533 -12.135 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.513 -10.621 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.064 -10.453 0.757 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.639 -8.249 1.310 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.197 -8.431 -0.342 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.907 -7.045 3.235 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.599 -6.597 2.115 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.248 -5.985 1.848 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.912 -10.300 -1.248 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.362 -10.122 -1.280 1.00 0.00 C ATOM 1290 C ALA A 82 -10.901 -10.284 -2.698 1.00 0.00 C ATOM 1291 O ALA A 82 -11.138 -9.301 -3.400 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.738 -8.756 -0.722 1.00 0.00 C ATOM 0 H ALA A 82 -8.417 -9.872 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.814 -10.893 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.821 -8.636 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.392 -8.676 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.270 -7.976 -1.323 1.00 0.00 H new ATOM 1298 N ASN A 83 -11.088 -11.532 -3.113 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.596 -11.830 -4.449 1.00 0.00 C ATOM 1300 C ASN A 83 -13.023 -11.309 -4.623 1.00 0.00 C ATOM 1301 O ASN A 83 -13.471 -10.442 -3.871 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.547 -13.340 -4.703 1.00 0.00 C ATOM 1303 CG ASN A 83 -10.879 -13.684 -6.020 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -9.721 -13.337 -6.250 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -11.608 -14.371 -6.891 1.00 0.00 N ATOM 0 H ASN A 83 -10.895 -12.356 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.962 -11.325 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.009 -13.825 -3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.561 -13.739 -4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.212 -14.632 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -12.564 -14.638 -6.657 1.00 0.00 H new ATOM 1312 N SER A 84 -13.731 -11.844 -5.619 1.00 0.00 N ATOM 1313 CA SER A 84 -15.108 -11.440 -5.900 1.00 0.00 C ATOM 1314 C SER A 84 -15.150 -10.112 -6.651 1.00 0.00 C ATOM 1315 O SER A 84 -15.426 -10.075 -7.850 1.00 0.00 O ATOM 1316 CB SER A 84 -15.920 -11.339 -4.604 1.00 0.00 C ATOM 1317 OG SER A 84 -17.129 -12.072 -4.700 1.00 0.00 O ATOM 0 H SER A 84 -13.370 -12.562 -6.247 1.00 0.00 H new ATOM 0 HA SER A 84 -15.554 -12.206 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.328 -11.716 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.141 -10.293 -4.391 1.00 0.00 H new ATOM 0 HG SER A 84 -17.627 -11.993 -3.860 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.881 -9.022 -5.939 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.893 -7.694 -6.543 1.00 0.00 C ATOM 1325 C GLU A 85 -13.481 -7.127 -6.647 1.00 0.00 C ATOM 1326 O GLU A 85 -12.615 -7.442 -5.830 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.773 -6.747 -5.722 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.227 -6.459 -4.331 1.00 0.00 C ATOM 1329 CD GLU A 85 -16.277 -5.880 -3.403 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -17.395 -6.433 -3.350 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -15.980 -4.871 -2.729 1.00 0.00 O ATOM 0 H GLU A 85 -14.652 -9.032 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.303 -7.785 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.882 -5.807 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.769 -7.179 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.835 -7.380 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.392 -5.763 -4.409 1.00 0.00 H new ATOM 1338 N SER A 86 -13.255 -6.286 -7.653 1.00 0.00 N ATOM 1339 CA SER A 86 -11.945 -5.676 -7.849 1.00 0.00 C ATOM 1340 C SER A 86 -11.712 -4.575 -6.822 1.00 0.00 C ATOM 1341 O SER A 86 -11.715 -3.390 -7.156 1.00 0.00 O ATOM 1342 CB SER A 86 -11.829 -5.109 -9.265 1.00 0.00 C ATOM 1343 OG SER A 86 -12.039 -6.117 -10.238 1.00 0.00 O ATOM 0 H SER A 86 -13.958 -6.013 -8.340 1.00 0.00 H new ATOM 0 HA SER A 86 -11.183 -6.444 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.559 -4.311 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.843 -4.666 -9.403 1.00 0.00 H new ATOM 0 HG SER A 86 -11.961 -5.728 -11.134 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.512 -4.990 -5.570 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.274 -4.079 -4.443 1.00 0.00 C ATOM 1351 C LEU A 87 -11.896 -2.707 -4.633 1.00 0.00 C ATOM 1352 O LEU A 87 -11.370 -1.877 -5.375 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.774 -3.885 -4.186 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.261 -4.337 -2.816 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.260 -3.168 -1.844 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.077 -5.492 -2.246 1.00 0.00 C ATOM 0 H LEU A 87 -11.510 -5.975 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.752 -4.561 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.222 -4.426 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.539 -2.828 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.241 -4.697 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.893 -3.502 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.612 -2.379 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.274 -2.784 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.675 -5.777 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.116 -5.182 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.025 -6.344 -2.924 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.973 -2.443 -3.916 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.590 -1.136 -3.986 1.00 0.00 C ATOM 1370 C GLU A 88 -12.669 -0.150 -3.285 1.00 0.00 C ATOM 1371 O GLU A 88 -12.668 -0.056 -2.058 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.961 -1.151 -3.310 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.726 0.154 -3.452 1.00 0.00 C ATOM 1374 CD GLU A 88 -15.997 0.821 -2.117 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -15.136 1.602 -1.658 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.068 0.562 -1.530 1.00 0.00 O ATOM 0 H GLU A 88 -13.431 -3.105 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.738 -0.847 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.557 -1.959 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.832 -1.373 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.159 0.836 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.673 -0.038 -3.957 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.866 0.567 -4.062 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.925 1.518 -3.490 1.00 0.00 C ATOM 1385 C ILE A 89 -10.988 2.864 -4.210 1.00 0.00 C ATOM 1386 O ILE A 89 -10.887 2.918 -5.436 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.465 0.967 -3.524 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.811 1.119 -4.910 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.443 -0.492 -3.107 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.135 -0.009 -5.869 1.00 0.00 C ATOM 0 H ILE A 89 -11.848 0.508 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.215 1.665 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.885 1.563 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.133 2.062 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.730 1.178 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.419 -0.863 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.835 -0.587 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.059 -1.075 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.638 0.170 -6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.787 -0.954 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.213 -0.056 -6.025 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.132 3.957 -3.459 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.165 5.268 -4.085 1.00 0.00 C ATOM 1404 C ALA A 90 -9.793 5.910 -3.982 1.00 0.00 C ATOM 1405 O ALA A 90 -9.342 6.275 -2.896 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.222 6.166 -3.449 1.00 0.00 C ATOM 0 H ALA A 90 -11.225 3.958 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.433 5.143 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.218 7.138 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.204 5.707 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.000 6.296 -2.390 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.130 6.035 -5.120 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.800 6.624 -5.168 1.00 0.00 C ATOM 1414 C TRP A 91 -7.866 8.109 -5.496 1.00 0.00 C ATOM 1415 O TRP A 91 -8.549 8.519 -6.435 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.938 5.901 -6.204 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.580 5.818 -7.556 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.293 4.768 -8.060 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.568 6.823 -8.575 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.725 5.060 -9.331 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.293 6.315 -9.670 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -7.016 8.104 -8.669 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.480 7.044 -10.841 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.201 8.826 -9.832 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.928 8.294 -10.906 1.00 0.00 C ATOM 0 H TRP A 91 -9.491 5.736 -6.026 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.349 6.512 -4.182 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.982 6.417 -6.295 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.724 4.893 -5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.489 3.844 -7.536 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.278 4.443 -9.926 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.455 8.522 -7.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.041 6.637 -11.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.779 9.817 -9.915 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.055 8.883 -11.803 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.147 8.909 -4.718 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.120 10.353 -4.933 1.00 0.00 C ATOM 1438 C GLN A 92 -6.001 10.731 -5.902 1.00 0.00 C ATOM 1439 O GLN A 92 -5.012 10.011 -6.035 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.942 11.104 -3.608 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.207 11.162 -2.767 1.00 0.00 C ATOM 1442 CD GLN A 92 -8.255 10.077 -1.709 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.748 10.253 -0.600 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.866 8.948 -2.046 1.00 0.00 N ATOM 0 H GLN A 92 -6.577 8.586 -3.936 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.077 10.643 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.153 10.622 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.608 12.120 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.274 12.137 -2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.076 11.068 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.272 8.846 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.930 8.183 -1.375 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.153 11.868 -6.602 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.164 12.343 -7.575 1.00 0.00 C ATOM 1455 C PRO A 93 -3.738 12.320 -7.039 1.00 0.00 C ATOM 1456 O PRO A 93 -2.801 12.019 -7.779 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.589 13.781 -7.831 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.059 13.793 -7.587 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.312 12.777 -6.505 1.00 0.00 C ATOM 0 HA PRO A 93 -5.145 11.709 -8.461 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.072 14.471 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.355 14.087 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.394 14.783 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.607 13.540 -8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.373 13.245 -5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.251 12.247 -6.665 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.584 12.659 -5.755 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.272 12.700 -5.098 1.00 0.00 C ATOM 1469 C ALA A 94 -1.747 14.129 -5.019 1.00 0.00 C ATOM 1470 O ALA A 94 -0.537 14.356 -5.020 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.254 11.815 -5.811 1.00 0.00 C ATOM 0 H ALA A 94 -4.361 12.912 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.410 12.314 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.296 11.873 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.605 10.783 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.133 12.156 -6.839 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.661 15.091 -4.951 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.284 16.497 -4.871 1.00 0.00 C ATOM 1479 C GLU A 95 -3.496 17.370 -4.560 1.00 0.00 C ATOM 1480 O GLU A 95 -4.629 16.892 -4.538 1.00 0.00 O ATOM 1481 CB GLU A 95 -1.639 16.949 -6.182 1.00 0.00 C ATOM 1482 CG GLU A 95 -0.586 18.031 -6.002 1.00 0.00 C ATOM 1483 CD GLU A 95 0.390 18.093 -7.162 1.00 0.00 C ATOM 1484 OE1 GLU A 95 -0.037 18.457 -8.277 1.00 0.00 O ATOM 1485 OE2 GLU A 95 1.580 17.778 -6.954 1.00 0.00 O ATOM 0 H GLU A 95 -3.667 14.923 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.562 16.608 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.182 16.087 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.416 17.318 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.078 18.998 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.036 17.848 -5.079 1.00 0.00 H new ATOM 1492 N SER A 96 -3.247 18.655 -4.320 1.00 0.00 N ATOM 1493 CA SER A 96 -4.316 19.596 -4.010 1.00 0.00 C ATOM 1494 C SER A 96 -4.979 20.104 -5.286 1.00 0.00 C ATOM 1495 O SER A 96 -6.148 19.735 -5.532 1.00 0.00 O ATOM 1496 CB SER A 96 -3.768 20.775 -3.203 1.00 0.00 C ATOM 1497 OG SER A 96 -2.538 21.232 -3.739 1.00 0.00 O ATOM 1498 OXT SER A 96 -4.327 20.867 -6.029 1.00 0.00 O ATOM 0 H SER A 96 -2.314 19.067 -4.335 1.00 0.00 H new ATOM 0 HA SER A 96 -5.065 19.074 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.493 21.589 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.627 20.475 -2.165 1.00 0.00 H new ATOM 0 HG SER A 96 -2.612 21.301 -4.714 1.00 0.00 H new TER 1504 SER A 96