USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 704 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 70 MET CE :methyl -161:sc= -17.9! (180deg=-21.6!) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= -8.66! C(o=-32!,f=-27!) USER MOD Set 2.1: A 51 TYR OH : rot 140:sc= -0.792! USER MOD Set 2.2: A 82 SER OG : rot -103:sc= -7.72! USER MOD Set 3.1: A 24 MET CE :methyl -142:sc= -5.71! (180deg=-9.56!) USER MOD Set 3.2: A 39 CYS SG : rot 157:sc= -1.45! USER MOD Set 3.3: A 45 CYS SG : rot -141:sc= -16.1! USER MOD Set 3.4: A 47 THR OG1 : rot 180:sc=-0.00188 USER MOD Set 3.5: A 48 CYS SG : rot 138:sc= 0.0444 USER MOD Set 3.6: A 85 SER OG : rot 151:sc= -7.94! USER MOD Set 3.7: A 86 CYS SG : rot -90:sc= -23.4! USER MOD Set 4.1: A 22 SER OG : rot 180:sc= -0.0204 USER MOD Set 4.2: A 25 GLN :FLIP amide:sc= -1.49! C(o=-3.8!,f=-1.5!) USER MOD Single : A 1 SER N :NH3+ -124:sc= -9.09! (180deg=-14!) USER MOD Single : A 1 SER OG : rot -55:sc= -3.83! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= -1.33 (180deg=-1.33) USER MOD Single : A 5 TYR OH : rot -104:sc= -4.91! USER MOD Single : A 7 SER OG : rot 17:sc= -9.09! USER MOD Single : A 8 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-5.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 75:sc= 0.54 USER MOD Single : A 30 ASN :FLIP amide:sc= -5.79! C(o=-7.4!,f=-5.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.399 USER MOD Single : A 42 SER OG : rot 84:sc= 0.569 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -17.9! C(o=-18!,f=-21!) USER MOD Single : A 53 ASN :FLIP amide:sc= -14.6! C(o=-16!,f=-15!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -3.29! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -2.12! C(o=-5.8!,f=-2.1!) USER MOD Single : A 73 CYS SG : rot -130:sc= -2.93! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -139:sc= 0.0256 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.299! C(o=0.3!,f=-10!) USER MOD Single : A 90 MET CE :methyl -102:sc= -11.9! (180deg=-13.4!) USER MOD Single : A 91 THR OG1 : rot -120:sc= -2.42! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.798 -9.877 -7.617 1.00 0.00 N ATOM 2 CA SER A 1 2.797 -9.748 -8.718 1.00 0.00 C ATOM 3 C SER A 1 4.029 -8.988 -8.233 1.00 0.00 C ATOM 4 O SER A 1 4.324 -8.942 -7.055 1.00 0.00 O ATOM 5 CB SER A 1 2.097 -8.961 -9.827 1.00 0.00 C ATOM 6 OG SER A 1 1.924 -9.803 -10.958 1.00 0.00 O ATOM 0 H1 SER A 1 1.573 -10.881 -7.469 1.00 0.00 H new ATOM 0 H2 SER A 1 2.193 -9.478 -6.742 1.00 0.00 H new ATOM 0 H3 SER A 1 0.931 -9.362 -7.872 1.00 0.00 H new ATOM 0 HA SER A 1 3.134 -10.724 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.131 -8.598 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.688 -8.086 -10.097 1.00 0.00 H new ATOM 0 HG SER A 1 2.791 -10.172 -11.227 1.00 0.00 H new ATOM 14 N LYS A 2 4.749 -8.388 -9.137 1.00 0.00 N ATOM 15 CA LYS A 2 5.966 -7.626 -8.741 1.00 0.00 C ATOM 16 C LYS A 2 5.572 -6.318 -8.056 1.00 0.00 C ATOM 17 O LYS A 2 5.140 -5.380 -8.697 1.00 0.00 O ATOM 18 CB LYS A 2 6.689 -7.334 -10.055 1.00 0.00 C ATOM 19 CG LYS A 2 8.197 -7.264 -9.805 1.00 0.00 C ATOM 20 CD LYS A 2 8.722 -5.893 -10.233 1.00 0.00 C ATOM 21 CE LYS A 2 10.210 -5.999 -10.577 1.00 0.00 C ATOM 22 NZ LYS A 2 10.916 -5.343 -9.442 1.00 0.00 N ATOM 0 H LYS A 2 4.547 -8.392 -10.137 1.00 0.00 H new ATOM 0 HA LYS A 2 6.589 -8.180 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.467 -8.112 -10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.335 -6.392 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.410 -7.433 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.706 -8.050 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.163 -5.532 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.574 -5.169 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.517 -7.039 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.433 -5.502 -11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.942 -5.376 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.609 -4.352 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.690 -5.842 -8.558 1.00 0.00 H new ATOM 36 N VAL A 3 5.722 -6.237 -6.763 1.00 0.00 N ATOM 37 CA VAL A 3 5.356 -4.973 -6.064 1.00 0.00 C ATOM 38 C VAL A 3 6.614 -4.266 -5.565 1.00 0.00 C ATOM 39 O VAL A 3 7.579 -4.888 -5.177 1.00 0.00 O ATOM 40 CB VAL A 3 4.462 -5.392 -4.894 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.465 -4.304 -3.814 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.037 -5.585 -5.404 1.00 0.00 C ATOM 0 H VAL A 3 6.078 -6.983 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 3 4.841 -4.274 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 3 4.839 -6.321 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.826 -4.611 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.482 -4.154 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.089 -3.372 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.392 -5.884 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.673 -4.650 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.027 -6.360 -6.171 1.00 0.00 H new ATOM 52 N VAL A 4 6.602 -2.968 -5.569 1.00 0.00 N ATOM 53 CA VAL A 4 7.792 -2.213 -5.085 1.00 0.00 C ATOM 54 C VAL A 4 7.348 -1.140 -4.098 1.00 0.00 C ATOM 55 O VAL A 4 6.407 -0.413 -4.338 1.00 0.00 O ATOM 56 CB VAL A 4 8.421 -1.599 -6.333 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.310 -0.415 -5.942 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.267 -2.656 -7.046 1.00 0.00 C ATOM 0 H VAL A 4 5.821 -2.393 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 4 8.508 -2.847 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 4 7.631 -1.249 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.755 0.017 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.709 0.340 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.100 -0.758 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.718 -2.220 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.053 -3.006 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.634 -3.496 -7.333 1.00 0.00 H new ATOM 68 N TYR A 5 8.007 -1.050 -2.984 1.00 0.00 N ATOM 69 CA TYR A 5 7.607 -0.040 -1.973 1.00 0.00 C ATOM 70 C TYR A 5 8.625 1.071 -1.848 1.00 0.00 C ATOM 71 O TYR A 5 9.799 0.847 -1.646 1.00 0.00 O ATOM 72 CB TYR A 5 7.541 -0.798 -0.668 1.00 0.00 C ATOM 73 CG TYR A 5 6.581 -1.923 -0.815 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.231 -1.629 -0.912 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.020 -3.255 -0.839 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.303 -2.651 -1.032 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.091 -4.276 -0.951 1.00 0.00 C ATOM 78 CZ TYR A 5 4.727 -3.983 -1.047 1.00 0.00 C ATOM 79 OH TYR A 5 3.806 -5.005 -1.154 1.00 0.00 O ATOM 0 H TYR A 5 8.805 -1.631 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 5 6.664 0.430 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.528 -1.176 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.225 -0.135 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.901 -0.601 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.074 -3.482 -0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.252 -2.418 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.422 -5.304 -0.964 1.00 0.00 H new ATOM 0 HH TYR A 5 3.689 -5.433 -0.280 1.00 0.00 H new ATOM 89 N VAL A 6 8.166 2.268 -1.926 1.00 0.00 N ATOM 90 CA VAL A 6 9.097 3.426 -1.768 1.00 0.00 C ATOM 91 C VAL A 6 8.954 4.015 -0.370 1.00 0.00 C ATOM 92 O VAL A 6 7.901 4.489 0.008 1.00 0.00 O ATOM 93 CB VAL A 6 8.687 4.473 -2.799 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.877 5.394 -3.085 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.247 3.786 -4.084 1.00 0.00 C ATOM 0 H VAL A 6 7.189 2.511 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 6 10.131 3.113 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 6 7.857 5.062 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.588 6.144 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.183 5.889 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.708 4.805 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.955 4.538 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.071 3.193 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.399 3.134 -3.876 1.00 0.00 H new ATOM 105 N SER A 7 10.004 4.015 0.390 1.00 0.00 N ATOM 106 CA SER A 7 9.927 4.601 1.742 1.00 0.00 C ATOM 107 C SER A 7 10.033 6.112 1.606 1.00 0.00 C ATOM 108 O SER A 7 10.901 6.621 0.937 1.00 0.00 O ATOM 109 CB SER A 7 11.125 4.036 2.500 1.00 0.00 C ATOM 110 OG SER A 7 12.323 4.515 1.904 1.00 0.00 O ATOM 0 H SER A 7 10.914 3.633 0.131 1.00 0.00 H new ATOM 0 HA SER A 7 8.998 4.369 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.081 4.334 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.104 2.946 2.478 1.00 0.00 H new ATOM 0 HG SER A 7 12.119 5.286 1.334 1.00 0.00 H new ATOM 116 N HIS A 8 9.144 6.820 2.218 1.00 0.00 N ATOM 117 CA HIS A 8 9.166 8.312 2.127 1.00 0.00 C ATOM 118 C HIS A 8 10.607 8.845 2.148 1.00 0.00 C ATOM 119 O HIS A 8 10.888 9.906 1.628 1.00 0.00 O ATOM 120 CB HIS A 8 8.382 8.799 3.351 1.00 0.00 C ATOM 121 CG HIS A 8 8.632 7.892 4.518 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.614 7.164 5.083 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.765 7.578 5.225 1.00 0.00 C ATOM 124 CE1 HIS A 8 8.138 6.443 6.091 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.450 6.659 6.222 1.00 0.00 N ATOM 0 H HIS A 8 8.390 6.435 2.787 1.00 0.00 H new ATOM 0 HA HIS A 8 8.727 8.668 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.680 9.817 3.602 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.316 8.826 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.749 7.981 5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.568 5.772 6.717 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.083 6.241 6.904 1.00 0.00 H new ATOM 133 N ASP A 9 11.523 8.121 2.740 1.00 0.00 N ATOM 134 CA ASP A 9 12.939 8.599 2.781 1.00 0.00 C ATOM 135 C ASP A 9 13.643 8.324 1.444 1.00 0.00 C ATOM 136 O ASP A 9 14.784 8.691 1.246 1.00 0.00 O ATOM 137 CB ASP A 9 13.594 7.797 3.907 1.00 0.00 C ATOM 138 CG ASP A 9 13.821 6.357 3.444 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.728 6.144 2.656 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.085 5.490 3.886 1.00 0.00 O ATOM 0 H ASP A 9 11.353 7.224 3.195 1.00 0.00 H new ATOM 0 HA ASP A 9 13.003 9.674 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.543 8.253 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.959 7.809 4.793 1.00 0.00 H new ATOM 145 N GLY A 10 12.968 7.688 0.527 1.00 0.00 N ATOM 146 CA GLY A 10 13.588 7.394 -0.798 1.00 0.00 C ATOM 147 C GLY A 10 13.855 5.892 -0.937 1.00 0.00 C ATOM 148 O GLY A 10 13.771 5.339 -2.016 1.00 0.00 O ATOM 0 H GLY A 10 12.009 7.357 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.928 7.729 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.521 7.948 -0.902 1.00 0.00 H new ATOM 152 N THR A 11 14.176 5.223 0.137 1.00 0.00 N ATOM 153 CA THR A 11 14.445 3.769 0.052 1.00 0.00 C ATOM 154 C THR A 11 13.307 3.089 -0.705 1.00 0.00 C ATOM 155 O THR A 11 12.152 3.443 -0.578 1.00 0.00 O ATOM 156 CB THR A 11 14.551 3.294 1.514 1.00 0.00 C ATOM 157 OG1 THR A 11 15.862 2.801 1.748 1.00 0.00 O ATOM 158 CG2 THR A 11 13.536 2.184 1.821 1.00 0.00 C ATOM 0 H THR A 11 14.262 5.627 1.070 1.00 0.00 H new ATOM 0 HA THR A 11 15.358 3.526 -0.491 1.00 0.00 H new ATOM 0 HB THR A 11 14.336 4.142 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.937 2.499 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.640 1.874 2.861 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.526 2.558 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.721 1.331 1.168 1.00 0.00 H new ATOM 166 N ARG A 12 13.642 2.129 -1.497 1.00 0.00 N ATOM 167 CA ARG A 12 12.602 1.414 -2.294 1.00 0.00 C ATOM 168 C ARG A 12 12.690 -0.104 -2.081 1.00 0.00 C ATOM 169 O ARG A 12 13.696 -0.725 -2.364 1.00 0.00 O ATOM 170 CB ARG A 12 12.919 1.763 -3.748 1.00 0.00 C ATOM 171 CG ARG A 12 12.670 3.254 -3.980 1.00 0.00 C ATOM 172 CD ARG A 12 12.273 3.487 -5.438 1.00 0.00 C ATOM 173 NE ARG A 12 12.743 4.865 -5.751 1.00 0.00 N ATOM 174 CZ ARG A 12 12.532 5.374 -6.933 1.00 0.00 C ATOM 175 NH1 ARG A 12 11.315 5.638 -7.323 1.00 0.00 N ATOM 176 NH2 ARG A 12 13.538 5.620 -7.727 1.00 0.00 N ATOM 0 H ARG A 12 14.597 1.798 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 12 11.594 1.709 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.956 1.517 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.297 1.171 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.881 3.609 -3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.568 3.824 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.738 2.753 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.195 3.398 -5.572 1.00 0.00 H new ATOM 0 HE ARG A 12 13.230 5.411 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.528 5.446 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.151 6.036 -8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.490 5.414 -7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.373 6.018 -8.651 1.00 0.00 H new ATOM 190 N ARG A 13 11.632 -0.705 -1.605 1.00 0.00 N ATOM 191 CA ARG A 13 11.634 -2.182 -1.396 1.00 0.00 C ATOM 192 C ARG A 13 10.913 -2.856 -2.562 1.00 0.00 C ATOM 193 O ARG A 13 10.056 -2.270 -3.187 1.00 0.00 O ATOM 194 CB ARG A 13 10.851 -2.414 -0.101 1.00 0.00 C ATOM 195 CG ARG A 13 11.289 -3.734 0.537 1.00 0.00 C ATOM 196 CD ARG A 13 11.758 -3.480 1.972 1.00 0.00 C ATOM 197 NE ARG A 13 10.744 -2.557 2.554 1.00 0.00 N ATOM 198 CZ ARG A 13 10.968 -1.984 3.705 1.00 0.00 C ATOM 199 NH1 ARG A 13 11.775 -2.541 4.566 1.00 0.00 N ATOM 200 NH2 ARG A 13 10.383 -0.854 3.996 1.00 0.00 N ATOM 0 H ARG A 13 10.763 -0.234 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 13 12.643 -2.589 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.022 -1.590 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.782 -2.437 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.461 -4.443 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.094 -4.182 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.816 -4.410 2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.753 -3.034 1.989 1.00 0.00 H new ATOM 0 HE ARG A 13 9.875 -2.373 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.231 -3.425 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.950 -2.093 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.751 -0.419 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.558 -0.406 4.896 1.00 0.00 H new ATOM 214 N GLU A 14 11.242 -4.076 -2.865 1.00 0.00 N ATOM 215 CA GLU A 14 10.547 -4.753 -3.992 1.00 0.00 C ATOM 216 C GLU A 14 10.057 -6.133 -3.558 1.00 0.00 C ATOM 217 O GLU A 14 10.773 -6.891 -2.935 1.00 0.00 O ATOM 218 CB GLU A 14 11.593 -4.870 -5.101 1.00 0.00 C ATOM 219 CG GLU A 14 12.258 -3.510 -5.322 1.00 0.00 C ATOM 220 CD GLU A 14 12.370 -3.234 -6.823 1.00 0.00 C ATOM 221 OE1 GLU A 14 12.295 -4.182 -7.587 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.529 -2.079 -7.181 1.00 0.00 O ATOM 0 H GLU A 14 11.954 -4.630 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 14 9.670 -4.199 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.343 -5.614 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.123 -5.211 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.675 -2.726 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.247 -3.498 -4.865 1.00 0.00 H new ATOM 229 N LEU A 15 8.839 -6.460 -3.879 1.00 0.00 N ATOM 230 CA LEU A 15 8.297 -7.784 -3.483 1.00 0.00 C ATOM 231 C LEU A 15 7.839 -8.574 -4.697 1.00 0.00 C ATOM 232 O LEU A 15 7.273 -8.038 -5.631 1.00 0.00 O ATOM 233 CB LEU A 15 7.076 -7.485 -2.614 1.00 0.00 C ATOM 234 CG LEU A 15 7.482 -7.198 -1.172 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.263 -7.326 -0.275 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.471 -8.210 -0.676 1.00 0.00 C ATOM 0 H LEU A 15 8.195 -5.865 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 15 9.058 -8.371 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.538 -6.629 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.391 -8.333 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 15 7.914 -6.198 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.548 -7.122 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.503 -6.611 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.862 -8.337 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.742 -7.980 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.027 -9.205 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.364 -8.183 -1.301 1.00 0.00 H new ATOM 248 N ASP A 16 8.023 -9.855 -4.656 1.00 0.00 N ATOM 249 CA ASP A 16 7.540 -10.702 -5.766 1.00 0.00 C ATOM 250 C ASP A 16 6.225 -11.312 -5.299 1.00 0.00 C ATOM 251 O ASP A 16 6.188 -12.381 -4.725 1.00 0.00 O ATOM 252 CB ASP A 16 8.611 -11.775 -5.970 1.00 0.00 C ATOM 253 CG ASP A 16 8.134 -12.782 -7.017 1.00 0.00 C ATOM 254 OD1 ASP A 16 7.348 -12.395 -7.868 1.00 0.00 O ATOM 255 OD2 ASP A 16 8.560 -13.923 -6.952 1.00 0.00 O ATOM 0 H ASP A 16 8.489 -10.354 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 16 7.375 -10.167 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.545 -11.315 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.815 -12.284 -5.028 1.00 0.00 H new ATOM 260 N VAL A 17 5.152 -10.605 -5.494 1.00 0.00 N ATOM 261 CA VAL A 17 3.839 -11.099 -5.012 1.00 0.00 C ATOM 262 C VAL A 17 3.064 -11.761 -6.149 1.00 0.00 C ATOM 263 O VAL A 17 3.479 -11.743 -7.289 1.00 0.00 O ATOM 264 CB VAL A 17 3.129 -9.835 -4.516 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.654 -10.138 -4.274 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.771 -9.376 -3.207 1.00 0.00 C ATOM 0 H VAL A 17 5.128 -9.702 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 17 3.929 -11.856 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 17 3.220 -9.050 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.151 -9.238 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.193 -10.470 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.562 -10.923 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.268 -8.477 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.677 -10.164 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.826 -9.159 -3.375 1.00 0.00 H new ATOM 276 N ALA A 18 1.952 -12.370 -5.844 1.00 0.00 N ATOM 277 CA ALA A 18 1.168 -13.053 -6.917 1.00 0.00 C ATOM 278 C ALA A 18 -0.281 -12.561 -6.945 1.00 0.00 C ATOM 279 O ALA A 18 -0.568 -11.411 -6.679 1.00 0.00 O ATOM 280 CB ALA A 18 1.210 -14.539 -6.568 1.00 0.00 C ATOM 0 H ALA A 18 1.553 -12.426 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 18 1.587 -12.847 -7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.653 -15.104 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.245 -14.880 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.762 -14.695 -5.587 1.00 0.00 H new ATOM 286 N ASP A 19 -1.190 -13.434 -7.283 1.00 0.00 N ATOM 287 CA ASP A 19 -2.619 -13.051 -7.354 1.00 0.00 C ATOM 288 C ASP A 19 -3.337 -13.429 -6.055 1.00 0.00 C ATOM 289 O ASP A 19 -3.359 -14.574 -5.650 1.00 0.00 O ATOM 290 CB ASP A 19 -3.157 -13.849 -8.547 1.00 0.00 C ATOM 291 CG ASP A 19 -3.561 -15.261 -8.109 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.615 -15.395 -7.509 1.00 0.00 O ATOM 293 OD2 ASP A 19 -2.810 -16.182 -8.381 1.00 0.00 O ATOM 0 H ASP A 19 -0.996 -14.408 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.771 -11.979 -7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.017 -13.335 -8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.397 -13.907 -9.326 1.00 0.00 H new ATOM 298 N GLY A 20 -3.921 -12.470 -5.405 1.00 0.00 N ATOM 299 CA GLY A 20 -4.641 -12.761 -4.133 1.00 0.00 C ATOM 300 C GLY A 20 -3.875 -12.160 -2.956 1.00 0.00 C ATOM 301 O GLY A 20 -4.386 -12.063 -1.858 1.00 0.00 O ATOM 0 H GLY A 20 -3.933 -11.493 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.649 -12.348 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.743 -13.838 -4.000 1.00 0.00 H new ATOM 305 N VAL A 21 -2.654 -11.751 -3.168 1.00 0.00 N ATOM 306 CA VAL A 21 -1.872 -11.156 -2.047 1.00 0.00 C ATOM 307 C VAL A 21 -2.123 -9.654 -1.967 1.00 0.00 C ATOM 308 O VAL A 21 -2.700 -9.047 -2.844 1.00 0.00 O ATOM 309 CB VAL A 21 -0.403 -11.414 -2.376 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.500 -10.542 -1.503 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.054 -12.883 -2.130 1.00 0.00 C ATOM 0 H VAL A 21 -2.167 -11.802 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.157 -11.592 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.244 -11.169 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.544 -10.738 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.275 -9.491 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.326 -10.775 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.996 -13.052 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.233 -13.129 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.677 -13.516 -2.763 1.00 0.00 H new ATOM 321 N SER A 22 -1.664 -9.069 -0.914 1.00 0.00 N ATOM 322 CA SER A 22 -1.817 -7.598 -0.709 1.00 0.00 C ATOM 323 C SER A 22 -0.427 -6.978 -0.556 1.00 0.00 C ATOM 324 O SER A 22 0.487 -7.635 -0.099 1.00 0.00 O ATOM 325 CB SER A 22 -2.608 -7.467 0.596 1.00 0.00 C ATOM 326 OG SER A 22 -2.761 -8.750 1.193 1.00 0.00 O ATOM 0 H SER A 22 -1.175 -9.552 -0.161 1.00 0.00 H new ATOM 0 HA SER A 22 -2.319 -7.096 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.090 -6.796 1.281 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.586 -7.028 0.398 1.00 0.00 H new ATOM 0 HG SER A 22 -3.266 -8.664 2.029 1.00 0.00 H new ATOM 332 N LEU A 23 -0.229 -5.729 -0.903 1.00 0.00 N ATOM 333 CA LEU A 23 1.140 -5.175 -0.712 1.00 0.00 C ATOM 334 C LEU A 23 1.555 -5.446 0.729 1.00 0.00 C ATOM 335 O LEU A 23 2.723 -5.509 1.051 1.00 0.00 O ATOM 336 CB LEU A 23 1.095 -3.661 -0.981 1.00 0.00 C ATOM 337 CG LEU A 23 0.370 -3.347 -2.290 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.817 -1.975 -2.796 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.714 -4.404 -3.341 1.00 0.00 C ATOM 0 H LEU A 23 -0.926 -5.095 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 23 1.856 -5.635 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.592 -3.158 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.111 -3.267 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.706 -3.348 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.303 -1.746 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.574 -1.216 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.893 -1.983 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.194 -4.175 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.790 -4.405 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.403 -5.386 -2.985 1.00 0.00 H new ATOM 351 N MET A 24 0.593 -5.626 1.593 1.00 0.00 N ATOM 352 CA MET A 24 0.909 -5.916 3.015 1.00 0.00 C ATOM 353 C MET A 24 1.425 -7.331 3.149 1.00 0.00 C ATOM 354 O MET A 24 2.550 -7.560 3.505 1.00 0.00 O ATOM 355 CB MET A 24 -0.413 -5.753 3.771 1.00 0.00 C ATOM 356 CG MET A 24 -0.450 -6.665 5.005 1.00 0.00 C ATOM 357 SD MET A 24 -0.998 -5.705 6.436 1.00 0.00 S ATOM 358 CE MET A 24 -0.580 -6.932 7.694 1.00 0.00 C ATOM 0 H MET A 24 -0.402 -5.584 1.371 1.00 0.00 H new ATOM 0 HA MET A 24 1.679 -5.252 3.408 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.537 -4.714 4.077 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.247 -5.992 3.111 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.126 -7.503 4.833 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.538 -7.086 5.191 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.344 -6.931 8.472 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.530 -7.920 7.236 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.386 -6.687 8.134 1.00 0.00 H new ATOM 368 N GLN A 25 0.582 -8.263 2.885 1.00 0.00 N ATOM 369 CA GLN A 25 0.945 -9.689 3.024 1.00 0.00 C ATOM 370 C GLN A 25 2.401 -9.951 2.597 1.00 0.00 C ATOM 371 O GLN A 25 3.239 -10.225 3.433 1.00 0.00 O ATOM 372 CB GLN A 25 -0.055 -10.340 2.086 1.00 0.00 C ATOM 373 CG GLN A 25 0.170 -11.841 1.980 1.00 0.00 C ATOM 374 CD GLN A 25 -1.134 -12.502 1.514 1.00 0.00 C ATOM 375 OE1 GLN A 25 -2.119 -11.756 1.064 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 -1.262 -13.709 1.559 1.00 0.00 N flip ATOM 0 H GLN A 25 -0.374 -8.097 2.569 1.00 0.00 H new ATOM 0 HA GLN A 25 0.903 -10.067 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.067 -10.148 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.026 -9.889 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.974 -12.054 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.475 -12.246 2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.500 -14.290 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.132 -14.142 1.248 1.00 0.00 H new ATOM 385 N ALA A 26 2.739 -9.872 1.334 1.00 0.00 N ATOM 386 CA ALA A 26 4.171 -10.126 0.973 1.00 0.00 C ATOM 387 C ALA A 26 5.065 -9.281 1.888 1.00 0.00 C ATOM 388 O ALA A 26 5.893 -9.792 2.615 1.00 0.00 O ATOM 389 CB ALA A 26 4.349 -9.686 -0.486 1.00 0.00 C ATOM 0 H ALA A 26 2.112 -9.651 0.560 1.00 0.00 H new ATOM 0 HA ALA A 26 4.438 -11.176 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.381 -9.853 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.682 -10.265 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.110 -8.626 -0.578 1.00 0.00 H new ATOM 395 N ALA A 27 4.886 -7.986 1.854 1.00 0.00 N ATOM 396 CA ALA A 27 5.702 -7.082 2.718 1.00 0.00 C ATOM 397 C ALA A 27 5.706 -7.631 4.143 1.00 0.00 C ATOM 398 O ALA A 27 6.735 -7.955 4.704 1.00 0.00 O ATOM 399 CB ALA A 27 4.959 -5.749 2.656 1.00 0.00 C ATOM 0 H ALA A 27 4.205 -7.513 1.260 1.00 0.00 H new ATOM 0 HA ALA A 27 6.741 -6.989 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.483 -5.012 3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.917 -5.404 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.946 -5.879 3.037 1.00 0.00 H new ATOM 405 N VAL A 28 4.537 -7.758 4.698 1.00 0.00 N ATOM 406 CA VAL A 28 4.365 -8.315 6.066 1.00 0.00 C ATOM 407 C VAL A 28 5.419 -9.401 6.319 1.00 0.00 C ATOM 408 O VAL A 28 6.289 -9.261 7.156 1.00 0.00 O ATOM 409 CB VAL A 28 2.941 -8.894 5.989 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.874 -10.323 6.547 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.971 -8.020 6.771 1.00 0.00 C ATOM 0 H VAL A 28 3.664 -7.489 4.244 1.00 0.00 H new ATOM 0 HA VAL A 28 4.489 -7.599 6.879 1.00 0.00 H new ATOM 0 HB VAL A 28 2.663 -8.917 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.852 -10.695 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.537 -10.970 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.186 -10.321 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.968 -8.442 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.281 -7.977 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.968 -7.014 6.351 1.00 0.00 H new ATOM 421 N SER A 29 5.348 -10.473 5.581 1.00 0.00 N ATOM 422 CA SER A 29 6.341 -11.570 5.743 1.00 0.00 C ATOM 423 C SER A 29 7.739 -11.033 5.491 1.00 0.00 C ATOM 424 O SER A 29 8.662 -11.267 6.246 1.00 0.00 O ATOM 425 CB SER A 29 6.007 -12.568 4.653 1.00 0.00 C ATOM 426 OG SER A 29 4.882 -12.114 3.909 1.00 0.00 O ATOM 0 H SER A 29 4.639 -10.637 4.867 1.00 0.00 H new ATOM 0 HA SER A 29 6.308 -12.004 6.742 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.863 -12.697 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.794 -13.542 5.093 1.00 0.00 H new ATOM 0 HG SER A 29 5.154 -11.380 3.319 1.00 0.00 H new ATOM 432 N ASN A 30 7.889 -10.297 4.428 1.00 0.00 N ATOM 433 CA ASN A 30 9.211 -9.710 4.097 1.00 0.00 C ATOM 434 C ASN A 30 9.670 -8.796 5.235 1.00 0.00 C ATOM 435 O ASN A 30 10.783 -8.310 5.247 1.00 0.00 O ATOM 436 CB ASN A 30 8.955 -8.917 2.818 1.00 0.00 C ATOM 437 CG ASN A 30 9.484 -9.709 1.622 1.00 0.00 C ATOM 438 OD1 ASN A 30 8.657 -10.445 0.933 1.00 0.00 O flip ATOM 439 ND2 ASN A 30 10.658 -9.658 1.315 1.00 0.00 N flip ATOM 0 H ASN A 30 7.143 -10.076 3.768 1.00 0.00 H new ATOM 0 HA ASN A 30 9.995 -10.455 3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.888 -8.727 2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.447 -7.946 2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.302 -9.081 1.856 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.000 -10.192 0.516 1.00 0.00 H new ATOM 446 N GLY A 31 8.817 -8.567 6.198 1.00 0.00 N ATOM 447 CA GLY A 31 9.203 -7.691 7.344 1.00 0.00 C ATOM 448 C GLY A 31 8.852 -6.238 7.027 1.00 0.00 C ATOM 449 O GLY A 31 8.751 -5.410 7.910 1.00 0.00 O ATOM 0 H GLY A 31 7.872 -8.947 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.685 -8.011 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.271 -7.782 7.539 1.00 0.00 H new ATOM 453 N ILE A 32 8.660 -5.925 5.775 1.00 0.00 N ATOM 454 CA ILE A 32 8.307 -4.526 5.397 1.00 0.00 C ATOM 455 C ILE A 32 7.308 -3.950 6.399 1.00 0.00 C ATOM 456 O ILE A 32 7.362 -2.784 6.740 1.00 0.00 O ATOM 457 CB ILE A 32 7.673 -4.652 4.012 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.733 -5.079 2.995 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.077 -3.308 3.579 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.083 -5.203 1.616 1.00 0.00 C ATOM 0 H ILE A 32 8.732 -6.579 4.995 1.00 0.00 H new ATOM 0 HA ILE A 32 9.169 -3.859 5.394 1.00 0.00 H new ATOM 0 HB ILE A 32 6.882 -5.401 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.541 -4.348 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.175 -6.031 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.628 -3.410 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.314 -3.001 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.865 -2.555 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.833 -5.507 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.290 -5.950 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.662 -4.241 1.324 1.00 0.00 H new ATOM 472 N TYR A 33 6.384 -4.747 6.862 1.00 0.00 N ATOM 473 CA TYR A 33 5.378 -4.219 7.824 1.00 0.00 C ATOM 474 C TYR A 33 5.558 -4.758 9.238 1.00 0.00 C ATOM 475 O TYR A 33 4.654 -5.334 9.808 1.00 0.00 O ATOM 476 CB TYR A 33 4.041 -4.651 7.255 1.00 0.00 C ATOM 477 CG TYR A 33 3.826 -3.874 5.999 1.00 0.00 C ATOM 478 CD1 TYR A 33 4.039 -2.492 6.000 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.439 -4.525 4.832 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.857 -1.758 4.829 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.260 -3.795 3.659 1.00 0.00 C ATOM 482 CZ TYR A 33 3.464 -2.408 3.651 1.00 0.00 C ATOM 483 OH TYR A 33 3.286 -1.687 2.488 1.00 0.00 O ATOM 0 H TYR A 33 6.283 -5.732 6.618 1.00 0.00 H new ATOM 0 HA TYR A 33 5.474 -3.138 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.037 -5.722 7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.239 -4.460 7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.344 -1.993 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.278 -5.593 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.019 -0.690 4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.963 -4.300 2.752 1.00 0.00 H new ATOM 0 HH TYR A 33 3.015 -2.292 1.766 1.00 0.00 H new ATOM 559 N CYS A 39 -5.331 -4.377 11.576 1.00 0.00 N ATOM 560 CA CYS A 39 -5.749 -5.125 10.344 1.00 0.00 C ATOM 561 C CYS A 39 -5.533 -6.622 10.550 1.00 0.00 C ATOM 562 O CYS A 39 -6.295 -7.440 10.075 1.00 0.00 O ATOM 563 CB CYS A 39 -4.843 -4.619 9.226 1.00 0.00 C ATOM 564 SG CYS A 39 -3.126 -4.575 9.808 1.00 0.00 S ATOM 0 HA CYS A 39 -6.803 -4.969 10.112 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.926 -5.269 8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.157 -3.623 8.912 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.321 -4.638 8.789 1.00 0.00 H new ATOM 569 N GLY A 40 -4.491 -6.990 11.246 1.00 0.00 N ATOM 570 CA GLY A 40 -4.224 -8.437 11.462 1.00 0.00 C ATOM 571 C GLY A 40 -4.381 -9.153 10.125 1.00 0.00 C ATOM 572 O GLY A 40 -4.785 -10.297 10.059 1.00 0.00 O ATOM 0 H GLY A 40 -3.817 -6.353 11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.218 -8.584 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.917 -8.846 12.197 1.00 0.00 H new ATOM 576 N GLY A 41 -4.078 -8.471 9.054 1.00 0.00 N ATOM 577 CA GLY A 41 -4.222 -9.087 7.710 1.00 0.00 C ATOM 578 C GLY A 41 -5.692 -9.025 7.298 1.00 0.00 C ATOM 579 O GLY A 41 -6.192 -9.892 6.610 1.00 0.00 O ATOM 0 H GLY A 41 -3.736 -7.510 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.603 -8.559 6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.878 -10.121 7.729 1.00 0.00 H new ATOM 583 N SER A 42 -6.394 -8.006 7.725 1.00 0.00 N ATOM 584 CA SER A 42 -7.836 -7.902 7.363 1.00 0.00 C ATOM 585 C SER A 42 -8.173 -6.509 6.834 1.00 0.00 C ATOM 586 O SER A 42 -9.315 -6.205 6.553 1.00 0.00 O ATOM 587 CB SER A 42 -8.597 -8.190 8.655 1.00 0.00 C ATOM 588 OG SER A 42 -8.072 -9.367 9.256 1.00 0.00 O ATOM 0 H SER A 42 -6.033 -7.248 8.304 1.00 0.00 H new ATOM 0 HA SER A 42 -8.102 -8.600 6.569 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.507 -7.347 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.659 -8.318 8.445 1.00 0.00 H new ATOM 0 HG SER A 42 -7.281 -9.138 9.788 1.00 0.00 H new ATOM 594 N ALA A 43 -7.190 -5.669 6.670 1.00 0.00 N ATOM 595 CA ALA A 43 -7.449 -4.302 6.123 1.00 0.00 C ATOM 596 C ALA A 43 -8.182 -3.409 7.119 1.00 0.00 C ATOM 597 O ALA A 43 -9.143 -2.748 6.787 1.00 0.00 O ATOM 598 CB ALA A 43 -8.318 -4.524 4.906 1.00 0.00 C ATOM 0 H ALA A 43 -6.214 -5.868 6.891 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.511 -3.796 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.553 -3.564 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.787 -5.150 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.242 -5.019 5.204 1.00 0.00 H new ATOM 604 N SER A 44 -7.729 -3.372 8.321 1.00 0.00 N ATOM 605 CA SER A 44 -8.354 -2.484 9.336 1.00 0.00 C ATOM 606 C SER A 44 -7.226 -1.744 10.057 1.00 0.00 C ATOM 607 O SER A 44 -7.192 -1.685 11.268 1.00 0.00 O ATOM 608 CB SER A 44 -9.108 -3.415 10.284 1.00 0.00 C ATOM 609 OG SER A 44 -10.403 -3.673 9.756 1.00 0.00 O ATOM 0 H SER A 44 -6.941 -3.924 8.659 1.00 0.00 H new ATOM 0 HA SER A 44 -9.035 -1.743 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.560 -4.349 10.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.189 -2.960 11.271 1.00 0.00 H new ATOM 0 HG SER A 44 -10.889 -4.272 10.361 1.00 0.00 H new ATOM 615 N CYS A 45 -6.256 -1.239 9.328 1.00 0.00 N ATOM 616 CA CYS A 45 -5.101 -0.586 10.026 1.00 0.00 C ATOM 617 C CYS A 45 -4.988 0.936 9.868 1.00 0.00 C ATOM 618 O CYS A 45 -5.390 1.539 8.898 1.00 0.00 O ATOM 619 CB CYS A 45 -3.813 -1.264 9.511 1.00 0.00 C ATOM 620 SG CYS A 45 -3.978 -1.875 7.813 1.00 0.00 S ATOM 0 H CYS A 45 -6.213 -1.249 8.309 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.264 -0.725 11.095 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.988 -0.553 9.559 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.556 -2.094 10.169 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.364 -3.015 7.701 1.00 0.00 H new ATOM 625 N ALA A 46 -4.377 1.551 10.840 1.00 0.00 N ATOM 626 CA ALA A 46 -4.145 3.016 10.789 1.00 0.00 C ATOM 627 C ALA A 46 -2.640 3.274 10.634 1.00 0.00 C ATOM 628 O ALA A 46 -2.199 4.402 10.532 1.00 0.00 O ATOM 629 CB ALA A 46 -4.652 3.549 12.129 1.00 0.00 C ATOM 0 H ALA A 46 -4.024 1.092 11.679 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.652 3.500 9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.514 4.630 12.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.711 3.315 12.236 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.093 3.083 12.941 1.00 0.00 H new ATOM 635 N THR A 47 -1.844 2.229 10.645 1.00 0.00 N ATOM 636 CA THR A 47 -0.364 2.404 10.531 1.00 0.00 C ATOM 637 C THR A 47 0.174 1.900 9.183 1.00 0.00 C ATOM 638 O THR A 47 1.153 2.414 8.678 1.00 0.00 O ATOM 639 CB THR A 47 0.216 1.573 11.676 1.00 0.00 C ATOM 640 OG1 THR A 47 0.089 0.192 11.367 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.543 1.880 12.968 1.00 0.00 C ATOM 0 H THR A 47 -2.159 1.262 10.728 1.00 0.00 H new ATOM 0 HA THR A 47 -0.086 3.457 10.587 1.00 0.00 H new ATOM 0 HB THR A 47 1.269 1.822 11.809 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.462 -0.343 12.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.128 1.287 13.783 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.446 2.940 13.204 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.597 1.632 12.839 1.00 0.00 H new ATOM 649 N CYS A 48 -0.439 0.908 8.587 1.00 0.00 N ATOM 650 CA CYS A 48 0.081 0.411 7.270 1.00 0.00 C ATOM 651 C CYS A 48 -0.384 1.312 6.122 1.00 0.00 C ATOM 652 O CYS A 48 -0.597 0.857 5.018 1.00 0.00 O ATOM 653 CB CYS A 48 -0.445 -1.015 7.080 1.00 0.00 C ATOM 654 SG CYS A 48 -0.598 -1.900 8.651 1.00 0.00 S ATOM 0 H CYS A 48 -1.263 0.426 8.945 1.00 0.00 H new ATOM 0 HA CYS A 48 1.171 0.424 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.417 -0.980 6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.227 -1.563 6.419 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.712 -2.570 8.665 1.00 0.00 H new ATOM 659 N HIS A 49 -0.509 2.594 6.357 1.00 0.00 N ATOM 660 CA HIS A 49 -0.918 3.508 5.256 1.00 0.00 C ATOM 661 C HIS A 49 0.134 3.422 4.153 1.00 0.00 C ATOM 662 O HIS A 49 1.317 3.479 4.418 1.00 0.00 O ATOM 663 CB HIS A 49 -0.930 4.906 5.887 1.00 0.00 C ATOM 664 CG HIS A 49 -1.539 5.899 4.930 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.931 7.168 5.330 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.834 5.825 3.592 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.439 7.794 4.254 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.401 7.022 3.171 1.00 0.00 N ATOM 0 H HIS A 49 -0.346 3.042 7.259 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.887 3.264 4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.498 4.889 6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.086 5.208 6.140 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.849 7.556 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.653 4.967 2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.830 8.801 4.267 1.00 0.00 H new ATOM 676 N VAL A 50 -0.267 3.278 2.923 1.00 0.00 N ATOM 677 CA VAL A 50 0.743 3.188 1.843 1.00 0.00 C ATOM 678 C VAL A 50 0.281 3.974 0.639 1.00 0.00 C ATOM 679 O VAL A 50 -0.896 4.186 0.427 1.00 0.00 O ATOM 680 CB VAL A 50 0.848 1.714 1.485 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.468 0.953 2.651 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.547 1.177 1.182 1.00 0.00 C ATOM 0 H VAL A 50 -1.240 3.220 2.623 1.00 0.00 H new ATOM 0 HA VAL A 50 1.703 3.594 2.160 1.00 0.00 H new ATOM 0 HB VAL A 50 1.480 1.585 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.544 -0.104 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.462 1.349 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.841 1.069 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.482 0.120 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.182 1.298 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.976 1.729 0.345 1.00 0.00 H new ATOM 692 N TYR A 51 1.207 4.391 -0.149 1.00 0.00 N ATOM 693 CA TYR A 51 0.860 5.168 -1.363 1.00 0.00 C ATOM 694 C TYR A 51 1.272 4.388 -2.603 1.00 0.00 C ATOM 695 O TYR A 51 2.434 4.276 -2.934 1.00 0.00 O ATOM 696 CB TYR A 51 1.649 6.465 -1.224 1.00 0.00 C ATOM 697 CG TYR A 51 0.865 7.481 -0.405 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.402 7.159 0.123 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.391 8.768 -0.206 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.128 8.117 0.835 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.661 9.725 0.516 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.600 9.400 1.033 1.00 0.00 C ATOM 703 OH TYR A 51 -1.320 10.342 1.737 1.00 0.00 O ATOM 0 H TYR A 51 2.204 4.229 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.208 5.362 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.607 6.265 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.865 6.874 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.812 6.171 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.360 9.022 -0.610 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.100 7.868 1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.071 10.712 0.673 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.715 10.851 2.316 1.00 0.00 H new ATOM 713 N VAL A 52 0.312 3.849 -3.283 1.00 0.00 N ATOM 714 CA VAL A 52 0.612 3.054 -4.512 1.00 0.00 C ATOM 715 C VAL A 52 0.655 4.004 -5.735 1.00 0.00 C ATOM 716 O VAL A 52 -0.055 4.989 -5.761 1.00 0.00 O ATOM 717 CB VAL A 52 -0.548 2.058 -4.631 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.225 1.018 -5.709 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.737 1.341 -3.292 1.00 0.00 C ATOM 0 H VAL A 52 -0.677 3.920 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 52 1.573 2.541 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.458 2.595 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.051 0.311 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.079 1.519 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.685 0.483 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.561 0.632 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.177 0.807 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.962 2.073 -2.516 1.00 0.00 H new ATOM 729 N ASN A 53 1.453 3.749 -6.758 1.00 0.00 N ATOM 730 CA ASN A 53 1.438 4.690 -7.927 1.00 0.00 C ATOM 731 C ASN A 53 0.147 4.498 -8.726 1.00 0.00 C ATOM 732 O ASN A 53 -0.208 3.397 -9.097 1.00 0.00 O ATOM 733 CB ASN A 53 2.667 4.376 -8.801 1.00 0.00 C ATOM 734 CG ASN A 53 2.708 2.902 -9.221 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.831 2.059 -8.772 1.00 0.00 O flip ATOM 736 ND2 ASN A 53 3.549 2.518 -10.010 1.00 0.00 N flip ATOM 0 H ASN A 53 2.092 2.957 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 53 1.477 5.726 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.651 5.007 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.576 4.622 -8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.245 3.170 -10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.559 1.543 -10.311 1.00 0.00 H new ATOM 743 N GLU A 54 -0.566 5.568 -8.968 1.00 0.00 N ATOM 744 CA GLU A 54 -1.857 5.483 -9.721 1.00 0.00 C ATOM 745 C GLU A 54 -1.811 4.395 -10.800 1.00 0.00 C ATOM 746 O GLU A 54 -2.796 3.735 -11.067 1.00 0.00 O ATOM 747 CB GLU A 54 -2.025 6.860 -10.365 1.00 0.00 C ATOM 748 CG GLU A 54 -0.723 7.260 -11.061 1.00 0.00 C ATOM 749 CD GLU A 54 -0.884 8.645 -11.690 1.00 0.00 C ATOM 750 OE1 GLU A 54 -1.958 9.211 -11.561 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.067 9.116 -12.291 1.00 0.00 O ATOM 0 H GLU A 54 -0.307 6.509 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.685 5.221 -9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.843 6.839 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.286 7.598 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.097 7.268 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.469 6.528 -11.828 1.00 0.00 H new ATOM 758 N ALA A 55 -0.685 4.205 -11.427 1.00 0.00 N ATOM 759 CA ALA A 55 -0.596 3.163 -12.492 1.00 0.00 C ATOM 760 C ALA A 55 -1.035 1.798 -11.950 1.00 0.00 C ATOM 761 O ALA A 55 -1.318 0.886 -12.700 1.00 0.00 O ATOM 762 CB ALA A 55 0.878 3.131 -12.893 1.00 0.00 C ATOM 0 H ALA A 55 0.176 4.723 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.246 3.387 -13.338 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.026 2.386 -13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.175 4.112 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.485 2.872 -12.026 1.00 0.00 H new ATOM 768 N PHE A 56 -1.088 1.646 -10.654 1.00 0.00 N ATOM 769 CA PHE A 56 -1.501 0.335 -10.074 1.00 0.00 C ATOM 770 C PHE A 56 -2.617 0.527 -9.044 1.00 0.00 C ATOM 771 O PHE A 56 -3.299 -0.408 -8.678 1.00 0.00 O ATOM 772 CB PHE A 56 -0.232 -0.206 -9.416 1.00 0.00 C ATOM 773 CG PHE A 56 0.760 -0.566 -10.505 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.485 0.459 -11.130 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.957 -1.906 -10.913 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.389 0.162 -12.152 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.868 -2.190 -11.932 1.00 0.00 C ATOM 778 CZ PHE A 56 2.580 -1.161 -12.553 1.00 0.00 C ATOM 0 H PHE A 56 -0.864 2.371 -9.973 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.898 -0.348 -10.825 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.195 0.541 -8.747 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.464 -1.082 -8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.343 1.484 -10.819 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.406 -2.705 -10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.941 0.957 -12.632 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.023 -3.213 -12.242 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.279 -1.389 -13.344 1.00 0.00 H new ATOM 788 N THR A 57 -2.819 1.733 -8.580 1.00 0.00 N ATOM 789 CA THR A 57 -3.909 1.968 -7.585 1.00 0.00 C ATOM 790 C THR A 57 -5.245 2.065 -8.324 1.00 0.00 C ATOM 791 O THR A 57 -6.285 1.699 -7.816 1.00 0.00 O ATOM 792 CB THR A 57 -3.609 3.310 -6.901 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.279 4.348 -7.601 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.108 3.600 -6.890 1.00 0.00 C ATOM 0 H THR A 57 -2.282 2.559 -8.844 1.00 0.00 H new ATOM 0 HA THR A 57 -3.962 1.160 -6.856 1.00 0.00 H new ATOM 0 HB THR A 57 -3.958 3.258 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.173 4.475 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.926 4.556 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.589 2.810 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.738 3.641 -7.914 1.00 0.00 H new ATOM 802 N ASP A 58 -5.216 2.570 -9.529 1.00 0.00 N ATOM 803 CA ASP A 58 -6.473 2.704 -10.319 1.00 0.00 C ATOM 804 C ASP A 58 -6.910 1.330 -10.827 1.00 0.00 C ATOM 805 O ASP A 58 -8.078 1.080 -11.050 1.00 0.00 O ATOM 806 CB ASP A 58 -6.108 3.625 -11.487 1.00 0.00 C ATOM 807 CG ASP A 58 -5.275 2.851 -12.513 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.277 2.270 -12.119 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.650 2.854 -13.674 1.00 0.00 O ATOM 0 H ASP A 58 -4.373 2.896 -10.001 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.299 3.106 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.013 4.010 -11.956 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.547 4.485 -11.123 1.00 0.00 H new ATOM 814 N LYS A 59 -5.976 0.439 -11.009 1.00 0.00 N ATOM 815 CA LYS A 59 -6.329 -0.922 -11.498 1.00 0.00 C ATOM 816 C LYS A 59 -6.854 -1.768 -10.338 1.00 0.00 C ATOM 817 O LYS A 59 -7.932 -2.326 -10.401 1.00 0.00 O ATOM 818 CB LYS A 59 -5.019 -1.499 -12.032 1.00 0.00 C ATOM 819 CG LYS A 59 -4.527 -0.652 -13.208 1.00 0.00 C ATOM 820 CD LYS A 59 -5.679 -0.419 -14.187 1.00 0.00 C ATOM 821 CE LYS A 59 -5.144 -0.447 -15.621 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.932 -1.511 -16.304 1.00 0.00 N ATOM 0 H LYS A 59 -4.982 0.595 -10.840 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.107 -0.905 -12.262 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.268 -1.514 -11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.167 -2.531 -12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.144 0.303 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.703 -1.156 -13.713 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.442 -1.187 -14.057 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.155 0.540 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.276 0.518 -16.111 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.078 -0.671 -15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.623 -1.591 -17.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.782 -2.419 -15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.943 -1.267 -16.276 1.00 0.00 H new ATOM 836 N VAL A 60 -6.103 -1.860 -9.276 1.00 0.00 N ATOM 837 CA VAL A 60 -6.551 -2.653 -8.109 1.00 0.00 C ATOM 838 C VAL A 60 -8.031 -2.382 -7.828 1.00 0.00 C ATOM 839 O VAL A 60 -8.601 -1.444 -8.349 1.00 0.00 O ATOM 840 CB VAL A 60 -5.684 -2.146 -6.960 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.248 -2.636 -7.136 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.699 -0.617 -6.946 1.00 0.00 C ATOM 0 H VAL A 60 -5.192 -1.414 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.452 -3.728 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.081 -2.526 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.635 -2.270 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.234 -3.726 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.849 -2.262 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.080 -0.255 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.306 -0.241 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.722 -0.264 -6.812 1.00 0.00 H new ATOM 852 N PRO A 61 -8.602 -3.214 -7.003 1.00 0.00 N ATOM 853 CA PRO A 61 -10.032 -3.068 -6.631 1.00 0.00 C ATOM 854 C PRO A 61 -10.302 -1.754 -5.915 1.00 0.00 C ATOM 855 O PRO A 61 -9.414 -1.085 -5.425 1.00 0.00 O ATOM 856 CB PRO A 61 -10.292 -4.263 -5.720 1.00 0.00 C ATOM 857 CG PRO A 61 -8.941 -4.637 -5.204 1.00 0.00 C ATOM 858 CD PRO A 61 -7.984 -4.360 -6.333 1.00 0.00 C ATOM 0 HA PRO A 61 -10.687 -3.049 -7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.970 -4.003 -4.907 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.751 -5.087 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.684 -4.053 -4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.910 -5.687 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.984 -4.125 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.887 -5.216 -7.001 1.00 0.00 H new ATOM 866 N ALA A 62 -11.543 -1.393 -5.883 1.00 0.00 N ATOM 867 CA ALA A 62 -11.966 -0.130 -5.242 1.00 0.00 C ATOM 868 C ALA A 62 -12.074 -0.293 -3.728 1.00 0.00 C ATOM 869 O ALA A 62 -12.768 -1.156 -3.228 1.00 0.00 O ATOM 870 CB ALA A 62 -13.330 0.141 -5.863 1.00 0.00 C ATOM 0 H ALA A 62 -12.305 -1.937 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.259 0.684 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.739 1.065 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.225 0.238 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.003 -0.686 -5.637 1.00 0.00 H new ATOM 876 N ALA A 63 -11.397 0.542 -3.001 1.00 0.00 N ATOM 877 CA ALA A 63 -11.452 0.464 -1.512 1.00 0.00 C ATOM 878 C ALA A 63 -12.837 0.899 -1.021 1.00 0.00 C ATOM 879 O ALA A 63 -13.473 1.752 -1.608 1.00 0.00 O ATOM 880 CB ALA A 63 -10.378 1.437 -1.027 1.00 0.00 C ATOM 0 H ALA A 63 -10.802 1.283 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.282 -0.546 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.354 1.439 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.406 1.127 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.607 2.440 -1.386 1.00 0.00 H new ATOM 886 N ASN A 64 -13.316 0.313 0.043 1.00 0.00 N ATOM 887 CA ASN A 64 -14.672 0.696 0.552 1.00 0.00 C ATOM 888 C ASN A 64 -14.587 1.654 1.746 1.00 0.00 C ATOM 889 O ASN A 64 -13.532 2.142 2.098 1.00 0.00 O ATOM 890 CB ASN A 64 -15.365 -0.614 0.959 1.00 0.00 C ATOM 891 CG ASN A 64 -14.365 -1.578 1.606 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.462 -1.117 2.426 1.00 0.00 O flip ATOM 893 ND2 ASN A 64 -14.408 -2.767 1.360 1.00 0.00 N flip ATOM 0 H ASN A 64 -12.835 -0.408 0.580 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.231 1.226 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.175 -0.401 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.813 -1.082 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.113 -3.130 0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.739 -3.402 1.795 1.00 0.00 H new ATOM 900 N GLU A 65 -15.711 1.926 2.360 1.00 0.00 N ATOM 901 CA GLU A 65 -15.739 2.856 3.530 1.00 0.00 C ATOM 902 C GLU A 65 -14.744 2.411 4.604 1.00 0.00 C ATOM 903 O GLU A 65 -14.328 3.194 5.435 1.00 0.00 O ATOM 904 CB GLU A 65 -17.173 2.774 4.057 1.00 0.00 C ATOM 905 CG GLU A 65 -17.372 1.454 4.806 1.00 0.00 C ATOM 906 CD GLU A 65 -18.725 0.851 4.425 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.732 1.380 4.866 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.732 -0.130 3.700 1.00 0.00 O ATOM 0 H GLU A 65 -16.618 1.540 2.098 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.457 3.872 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.375 3.614 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.879 2.844 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.570 0.759 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -17.327 1.624 5.882 1.00 0.00 H new ATOM 915 N ARG A 66 -14.350 1.169 4.593 1.00 0.00 N ATOM 916 CA ARG A 66 -13.371 0.703 5.615 1.00 0.00 C ATOM 917 C ARG A 66 -12.053 1.434 5.424 1.00 0.00 C ATOM 918 O ARG A 66 -11.537 2.048 6.333 1.00 0.00 O ATOM 919 CB ARG A 66 -13.151 -0.785 5.344 1.00 0.00 C ATOM 920 CG ARG A 66 -13.405 -1.576 6.624 1.00 0.00 C ATOM 921 CD ARG A 66 -13.367 -3.073 6.311 1.00 0.00 C ATOM 922 NE ARG A 66 -14.428 -3.279 5.287 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.535 -4.430 4.681 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.969 -5.490 5.190 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.209 -4.521 3.568 1.00 0.00 N ATOM 0 H ARG A 66 -14.660 0.461 3.927 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.734 0.887 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.821 -1.125 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.133 -0.956 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.651 -1.330 7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.373 -1.306 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.390 -3.373 5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.559 -3.668 7.204 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.071 -2.521 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.443 -5.419 6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.052 -6.390 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.652 -3.693 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.293 -5.421 3.094 1.00 0.00 H new ATOM 939 N GLU A 67 -11.501 1.360 4.249 1.00 0.00 N ATOM 940 CA GLU A 67 -10.202 2.022 3.989 1.00 0.00 C ATOM 941 C GLU A 67 -10.280 3.525 4.253 1.00 0.00 C ATOM 942 O GLU A 67 -9.450 4.080 4.931 1.00 0.00 O ATOM 943 CB GLU A 67 -9.935 1.762 2.507 1.00 0.00 C ATOM 944 CG GLU A 67 -8.702 2.552 2.068 1.00 0.00 C ATOM 945 CD GLU A 67 -8.934 3.142 0.676 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.037 3.595 0.423 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.004 3.129 -0.114 1.00 0.00 O ATOM 0 H GLU A 67 -11.900 0.864 3.452 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.415 1.639 4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.778 0.697 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.800 2.057 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.497 3.350 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.827 1.902 2.056 1.00 0.00 H new ATOM 954 N ILE A 68 -11.253 4.192 3.715 1.00 0.00 N ATOM 955 CA ILE A 68 -11.329 5.666 3.917 1.00 0.00 C ATOM 956 C ILE A 68 -11.147 6.041 5.397 1.00 0.00 C ATOM 957 O ILE A 68 -10.690 7.122 5.703 1.00 0.00 O ATOM 958 CB ILE A 68 -12.726 6.049 3.406 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.662 6.296 1.897 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.225 7.318 4.102 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.935 5.134 1.220 1.00 0.00 C ATOM 0 H ILE A 68 -11.997 3.788 3.147 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.537 6.197 3.388 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.415 5.233 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.669 6.395 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.143 7.232 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.216 7.573 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.277 7.147 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.537 8.139 3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.889 5.310 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.923 5.056 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.473 4.206 1.413 1.00 0.00 H new ATOM 973 N GLY A 69 -11.476 5.174 6.316 1.00 0.00 N ATOM 974 CA GLY A 69 -11.282 5.525 7.758 1.00 0.00 C ATOM 975 C GLY A 69 -9.890 5.074 8.208 1.00 0.00 C ATOM 976 O GLY A 69 -9.016 5.879 8.468 1.00 0.00 O ATOM 0 H GLY A 69 -11.866 4.249 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.392 6.600 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.047 5.043 8.367 1.00 0.00 H new ATOM 980 N MET A 70 -9.677 3.791 8.284 1.00 0.00 N ATOM 981 CA MET A 70 -8.339 3.268 8.698 1.00 0.00 C ATOM 982 C MET A 70 -7.244 3.967 7.906 1.00 0.00 C ATOM 983 O MET A 70 -6.206 4.330 8.424 1.00 0.00 O ATOM 984 CB MET A 70 -8.349 1.801 8.279 1.00 0.00 C ATOM 985 CG MET A 70 -8.863 1.698 6.841 1.00 0.00 C ATOM 986 SD MET A 70 -9.670 0.107 6.612 1.00 0.00 S ATOM 987 CE MET A 70 -8.224 -0.677 5.903 1.00 0.00 C ATOM 0 H MET A 70 -10.374 3.075 8.077 1.00 0.00 H new ATOM 0 HA MET A 70 -8.159 3.419 9.762 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.345 1.382 8.351 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.985 1.222 8.949 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.563 2.507 6.634 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.036 1.804 6.138 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.525 -1.572 5.358 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.733 0.016 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.532 -0.953 6.699 1.00 0.00 H new ATOM 997 N LEU A 71 -7.482 4.153 6.644 1.00 0.00 N ATOM 998 CA LEU A 71 -6.487 4.821 5.777 1.00 0.00 C ATOM 999 C LEU A 71 -6.453 6.301 6.160 1.00 0.00 C ATOM 1000 O LEU A 71 -5.467 6.988 5.981 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.057 4.576 4.374 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.049 4.867 3.255 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.782 5.606 2.134 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.903 5.747 3.748 1.00 0.00 C ATOM 0 H LEU A 71 -8.338 3.865 6.170 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.460 4.463 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.386 3.540 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.938 5.201 4.232 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.630 3.922 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.085 5.824 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.592 4.982 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.192 6.539 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.208 5.933 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.301 6.696 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.380 5.242 4.560 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.531 6.779 6.726 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.595 8.200 7.174 1.00 0.00 C ATOM 1018 C GLU A 72 -7.127 8.309 8.631 1.00 0.00 C ATOM 1019 O GLU A 72 -6.871 9.386 9.131 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.073 8.579 7.059 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.370 9.797 7.937 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.293 10.757 7.184 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -11.133 10.278 6.440 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -10.146 11.954 7.365 1.00 0.00 O ATOM 0 H GLU A 72 -8.378 6.238 6.898 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.957 8.855 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.321 8.800 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.697 7.739 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.839 9.481 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.441 10.302 8.203 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.017 7.206 9.322 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.575 7.278 10.744 1.00 0.00 C ATOM 1033 C CYS A 73 -5.334 8.157 10.830 1.00 0.00 C ATOM 1034 O CYS A 73 -5.265 9.082 11.615 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.249 5.836 11.137 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.768 4.987 11.631 1.00 0.00 S ATOM 0 H CYS A 73 -7.211 6.269 8.969 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.330 7.705 11.405 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.785 5.316 10.299 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.531 5.825 11.957 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.583 4.397 12.775 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.367 7.899 10.000 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.145 8.748 10.003 1.00 0.00 C ATOM 1044 C VAL A 74 -3.345 9.903 9.017 1.00 0.00 C ATOM 1045 O VAL A 74 -3.093 9.776 7.835 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.993 7.837 9.563 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.597 6.919 10.719 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -2.427 6.983 8.370 1.00 0.00 C ATOM 0 H VAL A 74 -4.368 7.139 9.320 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.935 9.179 10.982 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.143 8.455 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.778 6.272 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.278 7.522 11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.452 6.308 11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.602 6.339 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.281 6.368 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.707 7.632 7.540 1.00 0.00 H new ATOM 1058 N THR A 75 -3.821 11.021 9.494 1.00 0.00 N ATOM 1059 CA THR A 75 -4.069 12.182 8.591 1.00 0.00 C ATOM 1060 C THR A 75 -2.856 12.442 7.697 1.00 0.00 C ATOM 1061 O THR A 75 -1.946 13.163 8.053 1.00 0.00 O ATOM 1062 CB THR A 75 -4.293 13.365 9.533 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.622 14.519 8.772 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.014 13.627 10.336 1.00 0.00 C ATOM 0 H THR A 75 -4.050 11.181 10.475 1.00 0.00 H new ATOM 0 HA THR A 75 -4.916 12.010 7.927 1.00 0.00 H new ATOM 0 HB THR A 75 -5.110 13.137 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.767 15.278 9.375 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.173 14.470 11.008 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.762 12.741 10.919 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.196 13.856 9.653 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.845 11.861 6.530 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.701 12.071 5.600 1.00 0.00 C ATOM 1074 C ALA A 76 -2.212 12.593 4.258 1.00 0.00 C ATOM 1075 O ALA A 76 -1.888 12.057 3.217 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.075 10.686 5.428 1.00 0.00 C ATOM 0 H ALA A 76 -3.581 11.248 6.179 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.984 12.800 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.221 10.754 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.743 10.314 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.814 10.002 5.010 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.020 13.623 4.279 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.571 14.180 3.006 1.00 0.00 C ATOM 1084 C GLU A 77 -3.920 13.040 2.058 1.00 0.00 C ATOM 1085 O GLU A 77 -3.394 12.934 0.968 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.477 15.082 2.427 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.205 14.271 2.170 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.228 15.104 1.338 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -0.341 16.318 1.366 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.617 14.512 0.686 1.00 0.00 O ATOM 0 H GLU A 77 -3.323 14.104 5.126 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.486 14.750 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.823 15.534 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.264 15.897 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.744 13.988 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.450 13.347 1.646 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.805 12.193 2.492 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.237 11.029 1.672 1.00 0.00 C ATOM 1099 C LEU A 78 -5.168 11.332 0.175 1.00 0.00 C ATOM 1100 O LEU A 78 -5.795 12.248 -0.318 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.675 10.802 2.100 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.924 9.301 2.225 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.487 8.822 3.610 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.408 9.015 2.029 1.00 0.00 C ATOM 0 H LEU A 78 -5.259 12.259 3.403 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.597 10.160 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.867 11.296 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.358 11.238 1.371 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.349 8.773 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.666 7.750 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.425 9.025 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.059 9.349 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.587 7.943 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.984 9.543 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.716 9.353 1.040 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.418 10.553 -0.549 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.310 10.769 -2.018 1.00 0.00 C ATOM 1118 C LYS A 79 -5.462 10.032 -2.703 1.00 0.00 C ATOM 1119 O LYS A 79 -6.161 9.266 -2.070 1.00 0.00 O ATOM 1120 CB LYS A 79 -2.967 10.145 -2.432 1.00 0.00 C ATOM 1121 CG LYS A 79 -1.884 10.429 -1.385 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.875 11.412 -1.961 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.998 12.744 -1.225 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.382 13.748 -2.138 1.00 0.00 N ATOM 0 H LYS A 79 -3.872 9.772 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.359 11.823 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.085 9.068 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.658 10.545 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.334 10.840 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.385 9.503 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.136 11.017 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.054 11.553 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.041 12.986 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.482 12.714 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.190 14.417 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.225 13.263 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.131 14.266 -2.640 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.619 10.263 -3.976 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.693 9.576 -4.728 1.00 0.00 C ATOM 1140 C PRO A 80 -6.392 8.080 -4.794 1.00 0.00 C ATOM 1141 O PRO A 80 -7.277 7.257 -4.924 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.629 10.214 -6.111 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.238 10.744 -6.223 1.00 0.00 C ATOM 1144 CD PRO A 80 -4.834 11.158 -4.835 1.00 0.00 C ATOM 0 HA PRO A 80 -7.680 9.675 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.838 9.484 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.365 11.011 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.562 9.984 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.198 11.590 -6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.763 11.034 -4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.066 12.206 -4.644 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.141 7.729 -4.704 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.762 6.289 -4.761 1.00 0.00 C ATOM 1154 C ASN A 81 -4.271 5.784 -3.395 1.00 0.00 C ATOM 1155 O ASN A 81 -3.984 4.614 -3.235 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.633 6.209 -5.786 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.615 7.321 -5.532 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.965 8.483 -5.470 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.357 7.010 -5.383 1.00 0.00 N ATOM 0 H ASN A 81 -4.362 8.378 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.616 5.668 -5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.144 5.237 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.039 6.300 -6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.667 7.742 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.063 6.035 -5.435 1.00 0.00 H new ATOM 1166 N SER A 82 -4.162 6.639 -2.410 1.00 0.00 N ATOM 1167 CA SER A 82 -3.679 6.162 -1.076 1.00 0.00 C ATOM 1168 C SER A 82 -4.438 4.907 -0.647 1.00 0.00 C ATOM 1169 O SER A 82 -5.617 4.763 -0.898 1.00 0.00 O ATOM 1170 CB SER A 82 -3.988 7.306 -0.116 1.00 0.00 C ATOM 1171 OG SER A 82 -3.260 8.451 -0.517 1.00 0.00 O ATOM 0 H SER A 82 -4.383 7.633 -2.468 1.00 0.00 H new ATOM 0 HA SER A 82 -2.620 5.905 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.057 7.520 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.719 7.026 0.903 1.00 0.00 H new ATOM 0 HG SER A 82 -2.489 8.573 0.076 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.765 3.999 0.005 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.438 2.750 0.458 1.00 0.00 C ATOM 1179 C ARG A 83 -3.703 2.167 1.668 1.00 0.00 C ATOM 1180 O ARG A 83 -2.585 2.536 1.969 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.341 1.791 -0.732 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.638 1.827 -1.543 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.586 0.731 -1.051 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.878 -0.090 -2.262 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.913 -0.889 -2.290 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.820 -0.832 -1.353 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.043 -1.749 -3.264 1.00 0.00 N ATOM 0 H ARG A 83 -2.776 4.069 0.244 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.471 2.925 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.499 2.069 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.152 0.778 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.113 2.803 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.420 1.684 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.124 0.130 -0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.498 1.156 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.265 -0.028 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.725 -0.161 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.624 -1.459 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.338 -1.796 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.849 -2.374 -3.289 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.322 1.250 2.355 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.665 0.623 3.540 1.00 0.00 C ATOM 1203 C LEU A 84 -2.845 -0.586 3.085 1.00 0.00 C ATOM 1204 O LEU A 84 -3.248 -1.307 2.194 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.826 0.170 4.427 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.734 0.846 5.795 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.744 0.200 6.733 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.337 0.631 6.368 1.00 0.00 C ATOM 0 H LEU A 84 -5.259 0.904 2.148 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.990 1.302 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.775 0.419 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.803 -0.913 4.545 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.937 1.912 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.687 0.675 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.748 0.324 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.521 -0.862 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.266 1.111 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.148 -0.437 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.597 1.065 5.695 1.00 0.00 H new ATOM 1220 N SER A 85 -1.702 -0.829 3.678 1.00 0.00 N ATOM 1221 CA SER A 85 -0.905 -2.008 3.237 1.00 0.00 C ATOM 1222 C SER A 85 -1.827 -3.227 3.123 1.00 0.00 C ATOM 1223 O SER A 85 -1.786 -3.967 2.161 1.00 0.00 O ATOM 1224 CB SER A 85 0.156 -2.246 4.293 1.00 0.00 C ATOM 1225 OG SER A 85 -0.376 -3.073 5.318 1.00 0.00 O ATOM 0 H SER A 85 -1.296 -0.274 4.431 1.00 0.00 H new ATOM 0 HA SER A 85 -0.443 -1.838 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.030 -2.719 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.487 -1.296 4.712 1.00 0.00 H new ATOM 0 HG SER A 85 0.346 -3.597 5.723 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.652 -3.441 4.120 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.583 -4.615 4.106 1.00 0.00 C ATOM 1233 C CYS A 86 -4.918 -4.211 3.491 1.00 0.00 C ATOM 1234 O CYS A 86 -5.966 -4.621 3.939 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.755 -5.039 5.574 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.179 -4.787 6.443 1.00 0.00 S ATOM 0 H CYS A 86 -2.721 -2.849 4.948 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.193 -5.439 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.544 -4.454 6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.055 -6.085 5.632 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.463 -5.870 6.367 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.886 -3.399 2.467 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.151 -2.951 1.826 1.00 0.00 C ATOM 1243 C GLN A 87 -6.170 -3.291 0.340 1.00 0.00 C ATOM 1244 O GLN A 87 -7.176 -3.703 -0.202 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.171 -1.437 2.017 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.417 -0.863 1.346 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.669 -1.444 2.005 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -8.560 -2.092 3.132 1.00 0.00 O flip ATOM 1249 NE2 GLN A 87 -9.760 -1.308 1.487 1.00 0.00 N flip ATOM 0 H GLN A 87 -4.034 -3.027 2.048 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.018 -3.443 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.170 -1.192 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.274 -0.992 1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.420 0.224 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.411 -1.099 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.847 -0.802 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.589 -1.700 1.933 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.072 -3.112 -0.323 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.037 -3.418 -1.785 1.00 0.00 C ATOM 1260 C ILE A 88 -4.565 -4.850 -2.015 1.00 0.00 C ATOM 1261 O ILE A 88 -3.775 -5.389 -1.266 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.036 -2.452 -2.434 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.853 -1.187 -1.588 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.551 -2.056 -3.818 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.058 -0.152 -2.392 1.00 0.00 C ATOM 0 H ILE A 88 -4.197 -2.769 0.074 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.033 -3.307 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.073 -2.956 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.824 -0.779 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.329 -1.427 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.845 -1.370 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.655 -2.948 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.521 -1.568 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.925 0.750 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.082 -0.563 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.600 0.095 -3.305 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.028 -5.452 -3.065 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.604 -6.837 -3.389 1.00 0.00 C ATOM 1279 C ILE A 89 -3.733 -6.804 -4.644 1.00 0.00 C ATOM 1280 O ILE A 89 -3.718 -5.827 -5.367 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.902 -7.602 -3.643 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.584 -7.928 -2.308 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.590 -8.897 -4.386 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.556 -8.483 -1.321 1.00 0.00 C ATOM 0 H ILE A 89 -5.691 -5.040 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.021 -7.305 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.570 -6.987 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.048 -7.031 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.381 -8.655 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.515 -9.444 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.113 -8.664 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.919 -9.509 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.047 -8.712 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.113 -9.391 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.775 -7.741 -1.154 1.00 0.00 H new ATOM 1296 N MET A 90 -3.011 -7.850 -4.918 1.00 0.00 N ATOM 1297 CA MET A 90 -2.158 -7.840 -6.131 1.00 0.00 C ATOM 1298 C MET A 90 -2.703 -8.806 -7.176 1.00 0.00 C ATOM 1299 O MET A 90 -2.917 -9.974 -6.916 1.00 0.00 O ATOM 1300 CB MET A 90 -0.768 -8.285 -5.671 1.00 0.00 C ATOM 1301 CG MET A 90 0.313 -7.433 -6.356 1.00 0.00 C ATOM 1302 SD MET A 90 -0.160 -7.057 -8.068 1.00 0.00 S ATOM 1303 CE MET A 90 0.873 -5.592 -8.261 1.00 0.00 C ATOM 0 H MET A 90 -2.975 -8.703 -4.360 1.00 0.00 H new ATOM 0 HA MET A 90 -2.132 -6.852 -6.590 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.686 -8.188 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.617 -9.338 -5.909 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.459 -6.506 -5.801 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.264 -7.965 -6.344 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.257 -4.698 -8.166 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.644 -5.586 -7.490 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.343 -5.605 -9.244 1.00 0.00 H new ATOM 1313 N THR A 91 -2.919 -8.324 -8.361 1.00 0.00 N ATOM 1314 CA THR A 91 -3.442 -9.204 -9.442 1.00 0.00 C ATOM 1315 C THR A 91 -2.319 -9.532 -10.430 1.00 0.00 C ATOM 1316 O THR A 91 -1.326 -8.835 -10.492 1.00 0.00 O ATOM 1317 CB THR A 91 -4.542 -8.388 -10.119 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.369 -7.013 -9.802 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.907 -8.858 -9.617 1.00 0.00 C ATOM 0 H THR A 91 -2.756 -7.354 -8.632 1.00 0.00 H new ATOM 0 HA THR A 91 -3.822 -10.153 -9.065 1.00 0.00 H new ATOM 0 HB THR A 91 -4.486 -8.524 -11.199 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.166 -6.681 -9.338 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.692 -8.276 -10.100 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.039 -9.913 -9.855 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.965 -8.720 -8.537 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.514 -10.589 -11.170 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.501 -11.016 -12.164 1.00 0.00 C ATOM 1329 C PRO A 92 -1.492 -10.065 -13.363 1.00 0.00 C ATOM 1330 O PRO A 92 -0.704 -10.208 -14.276 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.959 -12.416 -12.562 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.426 -12.447 -12.273 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.684 -11.472 -11.153 1.00 0.00 C ATOM 0 HA PRO A 92 -0.483 -11.008 -11.775 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.761 -12.610 -13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.430 -13.180 -11.993 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.998 -12.174 -13.160 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.740 -13.451 -11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.606 -10.914 -11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.784 -11.983 -10.195 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.353 -9.085 -13.359 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.383 -8.113 -14.490 1.00 0.00 C ATOM 1343 C GLU A 93 -1.870 -6.752 -14.011 1.00 0.00 C ATOM 1344 O GLU A 93 -1.316 -5.981 -14.769 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.853 -8.022 -14.907 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.734 -7.875 -13.665 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.984 -7.067 -14.018 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.236 -6.887 -15.198 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.667 -6.639 -13.103 1.00 0.00 O ATOM 0 H GLU A 93 -3.037 -8.915 -12.622 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.752 -8.422 -15.323 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.000 -7.171 -15.572 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.139 -8.914 -15.464 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.018 -8.858 -13.289 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.179 -7.378 -12.870 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.045 -6.459 -12.750 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.564 -5.156 -12.200 1.00 0.00 C ATOM 1358 C LEU A 94 -0.177 -5.338 -11.625 1.00 0.00 C ATOM 1359 O LEU A 94 0.167 -4.804 -10.592 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.551 -4.815 -11.098 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.977 -4.957 -11.629 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.928 -4.161 -10.735 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.037 -4.425 -13.067 1.00 0.00 C ATOM 0 H LEU A 94 -2.503 -7.069 -12.073 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.508 -4.371 -12.954 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.402 -5.476 -10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.382 -3.797 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.274 -6.006 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.947 -4.259 -11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.877 -4.546 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.639 -3.110 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.053 -4.524 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.746 -3.375 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.355 -4.997 -13.696 1.00 0.00 H new ATOM 1375 N ASP A 95 0.599 -6.127 -12.277 1.00 0.00 N ATOM 1376 CA ASP A 95 1.964 -6.417 -11.780 1.00 0.00 C ATOM 1377 C ASP A 95 2.960 -5.325 -12.160 1.00 0.00 C ATOM 1378 O ASP A 95 2.899 -4.748 -13.229 1.00 0.00 O ATOM 1379 CB ASP A 95 2.323 -7.746 -12.437 1.00 0.00 C ATOM 1380 CG ASP A 95 2.762 -7.508 -13.884 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.896 -7.403 -14.736 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.958 -7.436 -14.115 1.00 0.00 O ATOM 0 H ASP A 95 0.349 -6.595 -13.148 1.00 0.00 H new ATOM 0 HA ASP A 95 2.000 -6.460 -10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.124 -8.233 -11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.464 -8.417 -12.414 1.00 0.00 H new ATOM 1387 N GLY A 96 3.873 -5.036 -11.271 1.00 0.00 N ATOM 1388 CA GLY A 96 4.872 -3.970 -11.540 1.00 0.00 C ATOM 1389 C GLY A 96 4.412 -2.725 -10.807 1.00 0.00 C ATOM 1390 O GLY A 96 4.660 -1.612 -11.222 1.00 0.00 O ATOM 0 H GLY A 96 3.967 -5.497 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.861 -4.275 -11.197 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.951 -3.779 -12.610 1.00 0.00 H new ATOM 1394 N ILE A 97 3.704 -2.913 -9.732 1.00 0.00 N ATOM 1395 CA ILE A 97 3.164 -1.750 -8.992 1.00 0.00 C ATOM 1396 C ILE A 97 4.216 -1.067 -8.136 1.00 0.00 C ATOM 1397 O ILE A 97 4.961 -1.691 -7.405 1.00 0.00 O ATOM 1398 CB ILE A 97 2.040 -2.314 -8.123 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.418 -1.174 -7.296 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.594 -3.401 -7.198 1.00 0.00 C ATOM 1401 CD1 ILE A 97 2.141 -1.016 -5.955 1.00 0.00 C ATOM 0 H ILE A 97 3.477 -3.825 -9.335 1.00 0.00 H new ATOM 0 HA ILE A 97 2.813 -0.982 -9.681 1.00 0.00 H new ATOM 0 HB ILE A 97 1.272 -2.756 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.473 -0.241 -7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.362 -1.379 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.788 -3.799 -6.581 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.023 -4.204 -7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.365 -2.975 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.684 -0.205 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.063 -1.944 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.192 -0.787 -6.133 1.00 0.00 H new ATOM 1413 N VAL A 98 4.254 0.228 -8.219 1.00 0.00 N ATOM 1414 CA VAL A 98 5.222 1.011 -7.413 1.00 0.00 C ATOM 1415 C VAL A 98 4.501 1.635 -6.222 1.00 0.00 C ATOM 1416 O VAL A 98 3.829 2.638 -6.363 1.00 0.00 O ATOM 1417 CB VAL A 98 5.688 2.111 -8.353 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.876 2.849 -7.733 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.105 1.499 -9.692 1.00 0.00 C ATOM 0 H VAL A 98 3.647 0.785 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 98 6.043 0.405 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 98 4.872 2.815 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.208 3.637 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.575 3.289 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.693 2.147 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.439 2.289 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.918 0.792 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.255 0.980 -10.135 1.00 0.00 H new ATOM 1429 N VAL A 99 4.625 1.082 -5.051 1.00 0.00 N ATOM 1430 CA VAL A 99 3.923 1.709 -3.901 1.00 0.00 C ATOM 1431 C VAL A 99 4.917 2.456 -3.028 1.00 0.00 C ATOM 1432 O VAL A 99 6.113 2.398 -3.224 1.00 0.00 O ATOM 1433 CB VAL A 99 3.163 0.596 -3.147 1.00 0.00 C ATOM 1434 CG1 VAL A 99 3.848 -0.729 -3.320 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.113 0.857 -1.654 1.00 0.00 C ATOM 0 H VAL A 99 5.168 0.244 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 99 3.198 2.453 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 99 2.157 0.585 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.295 -1.498 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.884 -0.984 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.863 -0.668 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.570 0.050 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.128 0.905 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.606 1.803 -1.467 1.00 0.00 H new ATOM 1445 N ASP A 100 4.411 3.207 -2.108 1.00 0.00 N ATOM 1446 CA ASP A 100 5.301 4.042 -1.250 1.00 0.00 C ATOM 1447 C ASP A 100 4.779 4.134 0.172 1.00 0.00 C ATOM 1448 O ASP A 100 3.682 3.718 0.487 1.00 0.00 O ATOM 1449 CB ASP A 100 5.294 5.454 -1.874 1.00 0.00 C ATOM 1450 CG ASP A 100 4.729 5.436 -3.301 1.00 0.00 C ATOM 1451 OD1 ASP A 100 5.290 4.745 -4.134 1.00 0.00 O ATOM 1452 OD2 ASP A 100 3.743 6.116 -3.533 1.00 0.00 O ATOM 0 H ASP A 100 3.415 3.286 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 100 6.298 3.604 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.698 6.124 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.309 5.852 -1.888 1.00 0.00 H new ATOM 1457 N VAL A 101 5.570 4.708 1.024 1.00 0.00 N ATOM 1458 CA VAL A 101 5.148 4.878 2.443 1.00 0.00 C ATOM 1459 C VAL A 101 4.820 6.354 2.700 1.00 0.00 C ATOM 1460 O VAL A 101 5.698 7.193 2.714 1.00 0.00 O ATOM 1461 CB VAL A 101 6.346 4.431 3.278 1.00 0.00 C ATOM 1462 CG1 VAL A 101 6.046 4.652 4.762 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.614 2.945 3.030 1.00 0.00 C ATOM 0 H VAL A 101 6.497 5.071 0.802 1.00 0.00 H new ATOM 0 HA VAL A 101 4.258 4.299 2.691 1.00 0.00 H new ATOM 0 HB VAL A 101 7.223 5.012 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.901 4.333 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.854 5.710 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.169 4.071 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.469 2.625 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.736 2.365 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.828 2.785 1.973 1.00 0.00 H new ATOM 1473 N PRO A 102 3.554 6.620 2.873 1.00 0.00 N ATOM 1474 CA PRO A 102 3.081 8.011 3.109 1.00 0.00 C ATOM 1475 C PRO A 102 3.482 8.515 4.502 1.00 0.00 C ATOM 1476 O PRO A 102 2.785 8.288 5.472 1.00 0.00 O ATOM 1477 CB PRO A 102 1.562 7.884 3.019 1.00 0.00 C ATOM 1478 CG PRO A 102 1.274 6.458 3.358 1.00 0.00 C ATOM 1479 CD PRO A 102 2.449 5.656 2.872 1.00 0.00 C ATOM 0 HA PRO A 102 3.508 8.720 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.067 8.563 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.203 8.133 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.138 6.335 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.353 6.124 2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.655 4.810 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.272 5.251 1.876 1.00 0.00 H new