USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 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 94 GLN : amide:sc= -0.543 X(o=-2.6,f=-2.4) USER MOD Set 1.2: A 95 ASN : amide:sc= -2.1 K(o=-2.6,f=-8.2!) USER MOD Set 2.1: A 43 ASN : amide:sc= -4.53 K(o=-5.6,f=-7.3!) USER MOD Set 2.2: A 59 SER OG : rot 77:sc= 1.17 USER MOD Set 2.3: A 73 CYS SG : rot 113:sc= -2.19! USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= 0.00469 F(o=-1.5!,f=0.01) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.0055 K(o=0.01,f=-0.65) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.07 K(o=3.1,f=0.66) USER MOD Set 4.2: A 18 THR OG1 : rot -110:sc= 2.02 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.163 (180deg=-1.19) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0143 (180deg=-0.214) USER MOD Single : A 2 SER OG : rot 170:sc= -1.48! USER MOD Single : A 3 TYR OH : rot 40:sc= 0.937 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -61:sc= -2.51! USER MOD Single : A 9 ASN : amide:sc= -0.0787 K(o=-0.079,f=-0.6) USER MOD Single : A 13 THR OG1 : rot 177:sc= -0.204 USER MOD Single : A 23 CYS SG : rot -60:sc= -2.6! USER MOD Single : A 25 ASN : amide:sc= -1.39! C(o=-1.4!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.493 K(o=0.49,f=-7.4!) USER MOD Single : A 32 THR OG1 : rot -52:sc= 1.28 USER MOD Single : A 33 SER OG : rot 154:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot -95:sc= 1.27 USER MOD Single : A 40 CYS SG : rot -178:sc= -0.791 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 56 SER OG : rot 140:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 1.74 (180deg=0.694) USER MOD Single : A 72 THR OG1 : rot 33:sc= 1 USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= 1.18 (180deg=0.586) USER MOD Single : A 77 THR OG1 : rot -131:sc= 1.02 USER MOD Single : A 86 GLN :FLIP amide:sc= -3.26! C(o=-8!,f=-3.3!) USER MOD Single : A 91 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc=-0.00973 F(o=-1.1,f=-0.0097) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0833 F(o=-1,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.265 15.464 -0.367 1.00 0.00 N ATOM 2 CA MET A 1 1.542 14.844 -0.782 1.00 0.00 C ATOM 3 C MET A 1 1.744 13.516 -0.069 1.00 0.00 C ATOM 4 O MET A 1 1.376 13.363 1.093 1.00 0.00 O ATOM 5 CB MET A 1 2.708 15.783 -0.470 1.00 0.00 C ATOM 6 CG MET A 1 2.718 17.045 -1.314 1.00 0.00 C ATOM 7 SD MET A 1 3.965 18.233 -0.779 1.00 0.00 S ATOM 8 CE MET A 1 5.462 17.256 -0.912 1.00 0.00 C ATOM 0 H1 MET A 1 -0.347 15.589 -1.199 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.211 14.849 0.324 1.00 0.00 H new ATOM 0 H3 MET A 1 0.454 16.390 0.066 1.00 0.00 H new ATOM 0 HA MET A 1 1.506 14.664 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.667 16.061 0.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.645 15.247 -0.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.899 16.779 -2.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.735 17.513 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.270 17.879 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.736 16.874 0.071 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.292 16.421 -1.592 1.00 0.00 H new ATOM 16 N SER A 2 2.288 12.545 -0.783 1.00 0.00 N ATOM 17 CA SER A 2 2.549 11.236 -0.209 1.00 0.00 C ATOM 18 C SER A 2 4.042 10.930 -0.237 1.00 0.00 C ATOM 19 O SER A 2 4.832 11.736 -0.731 1.00 0.00 O ATOM 20 CB SER A 2 1.771 10.163 -0.968 1.00 0.00 C ATOM 21 OG SER A 2 0.411 10.531 -1.100 1.00 0.00 O ATOM 0 H SER A 2 2.558 12.639 -1.762 1.00 0.00 H new ATOM 0 HA SER A 2 2.218 11.239 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.211 10.017 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.846 9.211 -0.442 1.00 0.00 H new ATOM 0 HG SER A 2 -0.035 9.918 -1.722 1.00 0.00 H new ATOM 26 N TYR A 3 4.427 9.778 0.286 1.00 0.00 N ATOM 27 CA TYR A 3 5.829 9.381 0.316 1.00 0.00 C ATOM 28 C TYR A 3 6.427 9.345 -1.093 1.00 0.00 C ATOM 29 O TYR A 3 7.565 9.760 -1.302 1.00 0.00 O ATOM 30 CB TYR A 3 5.975 8.008 0.976 1.00 0.00 C ATOM 31 CG TYR A 3 5.386 6.866 0.171 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.013 6.653 0.127 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.204 6.004 -0.552 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.475 5.621 -0.614 1.00 0.00 C ATOM 35 CE2 TYR A 3 5.672 4.970 -1.296 1.00 0.00 C ATOM 36 CZ TYR A 3 4.309 4.783 -1.322 1.00 0.00 C ATOM 37 OH TYR A 3 3.773 3.755 -2.060 1.00 0.00 O ATOM 0 H TYR A 3 3.788 9.098 0.697 1.00 0.00 H new ATOM 0 HA TYR A 3 6.374 10.123 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.033 7.810 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.494 8.034 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.356 7.306 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.274 6.146 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.406 5.471 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.322 4.312 -1.854 1.00 0.00 H new ATOM 0 HH TYR A 3 2.956 4.063 -2.505 1.00 0.00 H new ATOM 46 N ALA A 4 5.631 8.882 -2.057 1.00 0.00 N ATOM 47 CA ALA A 4 6.070 8.747 -3.448 1.00 0.00 C ATOM 48 C ALA A 4 6.525 10.070 -4.059 1.00 0.00 C ATOM 49 O ALA A 4 7.262 10.077 -5.043 1.00 0.00 O ATOM 50 CB ALA A 4 4.955 8.142 -4.286 1.00 0.00 C ATOM 0 H ALA A 4 4.667 8.591 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 4 6.937 8.086 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.288 8.044 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.698 7.158 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.079 8.789 -4.247 1.00 0.00 H new ATOM 56 N ASP A 5 6.110 11.183 -3.467 1.00 0.00 N ATOM 57 CA ASP A 5 6.482 12.498 -3.982 1.00 0.00 C ATOM 58 C ASP A 5 7.954 12.784 -3.694 1.00 0.00 C ATOM 59 O ASP A 5 8.566 13.659 -4.304 1.00 0.00 O ATOM 60 CB ASP A 5 5.599 13.583 -3.362 1.00 0.00 C ATOM 61 CG ASP A 5 5.657 14.886 -4.134 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.926 15.008 -5.140 1.00 0.00 O ATOM 63 OD2 ASP A 5 6.419 15.791 -3.737 1.00 0.00 O ATOM 0 H ASP A 5 5.520 11.204 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 5 6.331 12.503 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.568 13.231 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.913 13.759 -2.333 1.00 0.00 H new ATOM 67 N SER A 6 8.519 12.030 -2.758 1.00 0.00 N ATOM 68 CA SER A 6 9.911 12.183 -2.391 1.00 0.00 C ATOM 69 C SER A 6 10.573 10.815 -2.238 1.00 0.00 C ATOM 70 O SER A 6 11.412 10.609 -1.358 1.00 0.00 O ATOM 71 CB SER A 6 10.036 12.986 -1.095 1.00 0.00 C ATOM 72 OG SER A 6 9.435 14.267 -1.221 1.00 0.00 O ATOM 0 H SER A 6 8.026 11.303 -2.240 1.00 0.00 H new ATOM 0 HA SER A 6 10.422 12.728 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.564 12.439 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.088 13.100 -0.835 1.00 0.00 H new ATOM 0 HG SER A 6 9.529 14.757 -0.377 1.00 0.00 H new ATOM 77 N SER A 7 10.178 9.874 -3.086 1.00 0.00 N ATOM 78 CA SER A 7 10.743 8.536 -3.050 1.00 0.00 C ATOM 79 C SER A 7 10.741 7.920 -4.440 1.00 0.00 C ATOM 80 O SER A 7 10.170 8.478 -5.379 1.00 0.00 O ATOM 81 CB SER A 7 9.971 7.647 -2.072 1.00 0.00 C ATOM 82 OG SER A 7 8.603 7.585 -2.414 1.00 0.00 O ATOM 0 H SER A 7 9.469 10.015 -3.806 1.00 0.00 H new ATOM 0 HA SER A 7 11.774 8.611 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.396 6.643 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.079 8.036 -1.059 1.00 0.00 H new ATOM 0 HG SER A 7 8.215 8.484 -2.376 1.00 0.00 H new ATOM 87 N ARG A 8 11.390 6.777 -4.562 1.00 0.00 N ATOM 88 CA ARG A 8 11.491 6.064 -5.827 1.00 0.00 C ATOM 89 C ARG A 8 11.594 4.570 -5.573 1.00 0.00 C ATOM 90 O ARG A 8 11.841 4.151 -4.439 1.00 0.00 O ATOM 91 CB ARG A 8 12.725 6.523 -6.603 1.00 0.00 C ATOM 92 CG ARG A 8 13.994 6.481 -5.771 1.00 0.00 C ATOM 93 CD ARG A 8 15.243 6.370 -6.622 1.00 0.00 C ATOM 94 NE ARG A 8 15.287 7.352 -7.696 1.00 0.00 N ATOM 95 CZ ARG A 8 16.394 7.668 -8.361 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.554 7.099 -8.041 1.00 0.00 N ATOM 97 NH2 ARG A 8 16.341 8.547 -9.350 1.00 0.00 N ATOM 0 H ARG A 8 11.864 6.314 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 8 10.597 6.278 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.851 5.891 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.565 7.540 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.054 7.381 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.948 5.634 -5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.121 6.494 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.297 5.369 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 8 14.420 7.824 -7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.596 6.418 -7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.401 7.344 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.452 8.980 -9.600 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.189 8.791 -9.862 1.00 0.00 H new ATOM 108 N ASN A 9 11.425 3.783 -6.635 1.00 0.00 N ATOM 109 CA ASN A 9 11.517 2.327 -6.556 1.00 0.00 C ATOM 110 C ASN A 9 10.591 1.771 -5.482 1.00 0.00 C ATOM 111 O ASN A 9 11.031 1.072 -4.567 1.00 0.00 O ATOM 112 CB ASN A 9 12.966 1.901 -6.290 1.00 0.00 C ATOM 113 CG ASN A 9 13.889 2.253 -7.442 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.500 2.189 -8.607 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.112 2.650 -7.127 1.00 0.00 N ATOM 0 H ASN A 9 11.221 4.136 -7.570 1.00 0.00 H new ATOM 0 HA ASN A 9 11.199 1.916 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.323 2.383 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.000 0.826 -6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.767 2.916 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.399 2.690 -6.149 1.00 0.00 H new ATOM 121 N ALA A 10 9.311 2.096 -5.598 1.00 0.00 N ATOM 122 CA ALA A 10 8.318 1.629 -4.647 1.00 0.00 C ATOM 123 C ALA A 10 7.769 0.280 -5.082 1.00 0.00 C ATOM 124 O ALA A 10 7.165 0.155 -6.149 1.00 0.00 O ATOM 125 CB ALA A 10 7.190 2.642 -4.512 1.00 0.00 C ATOM 0 H ALA A 10 8.937 2.683 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 10 8.796 1.515 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.455 2.275 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.594 3.592 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.712 2.785 -5.481 1.00 0.00 H new ATOM 131 N VAL A 11 7.991 -0.729 -4.260 1.00 0.00 N ATOM 132 CA VAL A 11 7.525 -2.076 -4.554 1.00 0.00 C ATOM 133 C VAL A 11 6.657 -2.601 -3.421 1.00 0.00 C ATOM 134 O VAL A 11 6.582 -1.998 -2.347 1.00 0.00 O ATOM 135 CB VAL A 11 8.703 -3.052 -4.787 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.527 -2.630 -5.994 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.579 -3.148 -3.546 1.00 0.00 C ATOM 0 H VAL A 11 8.494 -0.642 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 11 6.937 -2.018 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 11 8.287 -4.039 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.349 -3.332 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.895 -2.625 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.928 -1.630 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.400 -3.840 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.981 -2.163 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.984 -3.510 -2.708 1.00 0.00 H new ATOM 147 N LEU A 12 6.013 -3.733 -3.663 1.00 0.00 N ATOM 148 CA LEU A 12 5.149 -4.343 -2.670 1.00 0.00 C ATOM 149 C LEU A 12 5.842 -5.546 -2.053 1.00 0.00 C ATOM 150 O LEU A 12 6.093 -6.541 -2.734 1.00 0.00 O ATOM 151 CB LEU A 12 3.820 -4.795 -3.297 1.00 0.00 C ATOM 152 CG LEU A 12 2.846 -3.683 -3.703 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.653 -2.698 -2.563 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.320 -2.976 -4.963 1.00 0.00 C ATOM 0 H LEU A 12 6.074 -4.247 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 12 4.939 -3.598 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.045 -5.392 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.314 -5.451 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 12 1.881 -4.140 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.958 -1.917 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.250 -3.220 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.612 -2.249 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.611 -2.192 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.300 -2.534 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.389 -3.695 -5.779 1.00 0.00 H new ATOM 165 N THR A 13 6.152 -5.458 -0.770 1.00 0.00 N ATOM 166 CA THR A 13 6.817 -6.544 -0.074 1.00 0.00 C ATOM 167 C THR A 13 5.867 -7.229 0.901 1.00 0.00 C ATOM 168 O THR A 13 4.778 -6.713 1.185 1.00 0.00 O ATOM 169 CB THR A 13 8.072 -6.049 0.675 1.00 0.00 C ATOM 170 OG1 THR A 13 7.768 -4.870 1.431 1.00 0.00 O ATOM 171 CG2 THR A 13 9.194 -5.754 -0.306 1.00 0.00 C ATOM 0 H THR A 13 5.953 -4.643 -0.189 1.00 0.00 H new ATOM 0 HA THR A 13 7.130 -7.267 -0.827 1.00 0.00 H new ATOM 0 HB THR A 13 8.396 -6.835 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.560 -4.593 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.072 -5.406 0.239 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.444 -6.661 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.872 -4.983 -1.006 1.00 0.00 H new ATOM 179 N ASN A 14 6.277 -8.402 1.388 1.00 0.00 N ATOM 180 CA ASN A 14 5.480 -9.178 2.334 1.00 0.00 C ATOM 181 C ASN A 14 4.125 -9.534 1.739 1.00 0.00 C ATOM 182 O ASN A 14 3.086 -9.332 2.366 1.00 0.00 O ATOM 183 CB ASN A 14 5.295 -8.410 3.646 1.00 0.00 C ATOM 184 CG ASN A 14 6.571 -8.320 4.457 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.408 -9.222 4.424 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.730 -7.230 5.185 1.00 0.00 N ATOM 0 H ASN A 14 7.165 -8.837 1.138 1.00 0.00 H new ATOM 0 HA ASN A 14 6.018 -10.102 2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.938 -7.404 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.524 -8.898 4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.572 -7.112 5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.011 -6.506 5.184 1.00 0.00 H new ATOM 192 N GLY A 15 4.140 -10.047 0.515 1.00 0.00 N ATOM 193 CA GLY A 15 2.907 -10.423 -0.152 1.00 0.00 C ATOM 194 C GLY A 15 2.276 -9.262 -0.894 1.00 0.00 C ATOM 195 O GLY A 15 1.760 -9.422 -2.001 1.00 0.00 O ATOM 0 H GLY A 15 4.987 -10.210 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.108 -11.233 -0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.201 -10.807 0.584 1.00 0.00 H new ATOM 199 N GLY A 16 2.334 -8.091 -0.284 1.00 0.00 N ATOM 200 CA GLY A 16 1.764 -6.905 -0.882 1.00 0.00 C ATOM 201 C GLY A 16 1.072 -6.047 0.152 1.00 0.00 C ATOM 202 O GLY A 16 0.021 -5.467 -0.105 1.00 0.00 O ATOM 0 H GLY A 16 2.771 -7.940 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.549 -6.328 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.052 -7.192 -1.656 1.00 0.00 H new ATOM 206 N ARG A 17 1.668 -5.973 1.328 1.00 0.00 N ATOM 207 CA ARG A 17 1.105 -5.195 2.419 1.00 0.00 C ATOM 208 C ARG A 17 2.092 -4.138 2.894 1.00 0.00 C ATOM 209 O ARG A 17 1.706 -3.123 3.478 1.00 0.00 O ATOM 210 CB ARG A 17 0.735 -6.122 3.576 1.00 0.00 C ATOM 211 CG ARG A 17 1.922 -6.885 4.142 1.00 0.00 C ATOM 212 CD ARG A 17 1.518 -7.787 5.290 1.00 0.00 C ATOM 213 NE ARG A 17 2.682 -8.311 6.000 1.00 0.00 N ATOM 214 CZ ARG A 17 3.138 -7.802 7.146 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.531 -6.763 7.708 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.207 -8.330 7.729 1.00 0.00 N ATOM 0 H ARG A 17 2.545 -6.443 1.554 1.00 0.00 H new ATOM 0 HA ARG A 17 0.209 -4.690 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.278 -5.533 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.016 -6.834 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.378 -7.483 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.678 -6.178 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.887 -7.232 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.921 -8.615 4.909 1.00 0.00 H new ATOM 0 HE ARG A 17 3.173 -9.110 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.711 -6.350 7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.884 -6.379 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.681 -9.126 7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.555 -7.940 8.605 1.00 0.00 H new ATOM 227 N THR A 18 3.365 -4.381 2.638 1.00 0.00 N ATOM 228 CA THR A 18 4.408 -3.470 3.049 1.00 0.00 C ATOM 229 C THR A 18 4.956 -2.695 1.855 1.00 0.00 C ATOM 230 O THR A 18 5.204 -3.265 0.789 1.00 0.00 O ATOM 231 CB THR A 18 5.546 -4.246 3.728 1.00 0.00 C ATOM 232 OG1 THR A 18 4.993 -5.247 4.593 1.00 0.00 O ATOM 233 CG2 THR A 18 6.439 -3.316 4.531 1.00 0.00 C ATOM 0 H THR A 18 3.699 -5.209 2.144 1.00 0.00 H new ATOM 0 HA THR A 18 3.980 -2.760 3.756 1.00 0.00 H new ATOM 0 HB THR A 18 6.151 -4.717 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.152 -4.996 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.236 -3.893 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.874 -2.568 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.848 -2.819 5.301 1.00 0.00 H new ATOM 241 N LEU A 19 5.118 -1.395 2.036 1.00 0.00 N ATOM 242 CA LEU A 19 5.647 -0.531 0.992 1.00 0.00 C ATOM 243 C LEU A 19 7.145 -0.376 1.144 1.00 0.00 C ATOM 244 O LEU A 19 7.610 0.242 2.098 1.00 0.00 O ATOM 245 CB LEU A 19 5.006 0.854 1.053 1.00 0.00 C ATOM 246 CG LEU A 19 3.533 0.920 0.671 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.019 2.340 0.831 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.335 0.440 -0.757 1.00 0.00 C ATOM 0 H LEU A 19 4.889 -0.911 2.904 1.00 0.00 H new ATOM 0 HA LEU A 19 5.416 -0.995 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.117 1.241 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.563 1.521 0.395 1.00 0.00 H new ATOM 0 HG LEU A 19 2.967 0.266 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.965 2.379 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.135 2.654 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.588 3.008 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.277 0.493 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.907 1.073 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.679 -0.591 -0.845 1.00 0.00 H new ATOM 259 N ARG A 20 7.896 -0.940 0.219 1.00 0.00 N ATOM 260 CA ARG A 20 9.341 -0.825 0.260 1.00 0.00 C ATOM 261 C ARG A 20 9.792 0.110 -0.851 1.00 0.00 C ATOM 262 O ARG A 20 9.555 -0.158 -2.028 1.00 0.00 O ATOM 263 CB ARG A 20 9.983 -2.204 0.109 1.00 0.00 C ATOM 264 CG ARG A 20 11.498 -2.194 0.175 1.00 0.00 C ATOM 265 CD ARG A 20 12.044 -3.609 0.219 1.00 0.00 C ATOM 266 NE ARG A 20 13.501 -3.647 0.254 1.00 0.00 N ATOM 267 CZ ARG A 20 14.206 -4.305 1.173 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.580 -4.968 2.144 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.534 -4.301 1.116 1.00 0.00 N ATOM 0 H ARG A 20 7.533 -1.480 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 20 9.654 -0.415 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.601 -2.858 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.675 -2.634 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.901 -1.671 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.825 -1.646 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.650 -4.119 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.691 -4.158 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 20 14.011 -3.139 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.561 -4.972 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.120 -5.472 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.011 -3.795 0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.076 -4.804 1.818 1.00 0.00 H new ATOM 280 N ALA A 21 10.438 1.204 -0.475 1.00 0.00 N ATOM 281 CA ALA A 21 10.898 2.185 -1.447 1.00 0.00 C ATOM 282 C ALA A 21 12.100 2.960 -0.930 1.00 0.00 C ATOM 283 O ALA A 21 12.420 2.916 0.262 1.00 0.00 O ATOM 284 CB ALA A 21 9.767 3.149 -1.779 1.00 0.00 C ATOM 0 H ALA A 21 10.655 1.435 0.495 1.00 0.00 H new ATOM 0 HA ALA A 21 11.204 1.651 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.115 3.882 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.927 2.594 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.448 3.662 -0.872 1.00 0.00 H new ATOM 290 N GLU A 22 12.750 3.679 -1.834 1.00 0.00 N ATOM 291 CA GLU A 22 13.894 4.499 -1.482 1.00 0.00 C ATOM 292 C GLU A 22 13.365 5.871 -1.125 1.00 0.00 C ATOM 293 O GLU A 22 12.961 6.630 -2.005 1.00 0.00 O ATOM 294 CB GLU A 22 14.864 4.608 -2.664 1.00 0.00 C ATOM 295 CG GLU A 22 15.233 3.262 -3.262 1.00 0.00 C ATOM 296 CD GLU A 22 16.180 2.461 -2.395 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.406 2.644 -2.528 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.706 1.627 -1.597 1.00 0.00 O ATOM 0 H GLU A 22 12.500 3.709 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 22 14.437 4.056 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.415 5.231 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.772 5.113 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.324 2.683 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.691 3.419 -4.239 1.00 0.00 H new ATOM 303 N CYS A 23 13.341 6.176 0.156 1.00 0.00 N ATOM 304 CA CYS A 23 12.819 7.446 0.607 1.00 0.00 C ATOM 305 C CYS A 23 13.930 8.469 0.716 1.00 0.00 C ATOM 306 O CYS A 23 14.945 8.228 1.364 1.00 0.00 O ATOM 307 CB CYS A 23 12.124 7.275 1.955 1.00 0.00 C ATOM 308 SG CYS A 23 10.833 6.010 1.953 1.00 0.00 S ATOM 0 H CYS A 23 13.676 5.563 0.900 1.00 0.00 H new ATOM 0 HA CYS A 23 12.093 7.804 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.869 7.019 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.686 8.228 2.251 1.00 0.00 H new ATOM 0 HG CYS A 23 9.917 6.326 1.086 1.00 0.00 H new ATOM 313 N ARG A 24 13.750 9.592 0.049 1.00 0.00 N ATOM 314 CA ARG A 24 14.721 10.650 0.087 1.00 0.00 C ATOM 315 C ARG A 24 14.666 11.343 1.437 1.00 0.00 C ATOM 316 O ARG A 24 13.633 11.897 1.815 1.00 0.00 O ATOM 317 CB ARG A 24 14.423 11.633 -1.029 1.00 0.00 C ATOM 318 CG ARG A 24 15.629 12.406 -1.497 1.00 0.00 C ATOM 319 CD ARG A 24 15.283 13.203 -2.733 1.00 0.00 C ATOM 320 NE ARG A 24 14.435 14.350 -2.411 1.00 0.00 N ATOM 321 CZ ARG A 24 13.880 15.153 -3.316 1.00 0.00 C ATOM 322 NH1 ARG A 24 14.128 14.986 -4.611 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.078 16.135 -2.920 1.00 0.00 N ATOM 0 H ARG A 24 12.932 9.789 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 24 15.723 10.244 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.000 11.091 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.663 12.336 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.972 13.074 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.449 11.721 -1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.199 13.549 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.771 12.561 -3.450 1.00 0.00 H new ATOM 0 HE ARG A 24 14.257 14.548 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.748 14.237 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.698 15.607 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.890 16.271 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.650 16.753 -3.609 1.00 0.00 H new ATOM 334 N ASN A 25 15.760 11.285 2.172 1.00 0.00 N ATOM 335 CA ASN A 25 15.812 11.918 3.478 1.00 0.00 C ATOM 336 C ASN A 25 16.117 13.400 3.318 1.00 0.00 C ATOM 337 O ASN A 25 16.530 13.834 2.234 1.00 0.00 O ATOM 338 CB ASN A 25 16.823 11.230 4.417 1.00 0.00 C ATOM 339 CG ASN A 25 18.265 11.288 3.938 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.678 12.225 3.266 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.047 10.281 4.292 1.00 0.00 N ATOM 0 H ASN A 25 16.618 10.811 1.891 1.00 0.00 H new ATOM 0 HA ASN A 25 14.835 11.809 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.761 11.695 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.535 10.186 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.026 10.270 4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.671 9.516 4.852 1.00 0.00 H new ATOM 347 N ALA A 26 15.946 14.159 4.398 1.00 0.00 N ATOM 348 CA ALA A 26 16.164 15.604 4.385 1.00 0.00 C ATOM 349 C ALA A 26 17.591 15.977 3.996 1.00 0.00 C ATOM 350 O ALA A 26 17.837 17.081 3.511 1.00 0.00 O ATOM 351 CB ALA A 26 15.820 16.195 5.741 1.00 0.00 C ATOM 0 H ALA A 26 15.654 13.792 5.304 1.00 0.00 H new ATOM 0 HA ALA A 26 15.505 16.022 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.986 17.272 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.774 15.993 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.453 15.745 6.505 1.00 0.00 H new ATOM 357 N ASP A 27 18.529 15.062 4.207 1.00 0.00 N ATOM 358 CA ASP A 27 19.923 15.319 3.861 1.00 0.00 C ATOM 359 C ASP A 27 20.103 15.229 2.351 1.00 0.00 C ATOM 360 O ASP A 27 21.086 15.719 1.793 1.00 0.00 O ATOM 361 CB ASP A 27 20.849 14.320 4.562 1.00 0.00 C ATOM 362 CG ASP A 27 22.318 14.621 4.338 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.871 15.471 5.071 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.930 14.006 3.438 1.00 0.00 O ATOM 0 H ASP A 27 18.353 14.143 4.612 1.00 0.00 H new ATOM 0 HA ASP A 27 20.186 16.322 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.641 14.328 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.630 13.315 4.202 1.00 0.00 H new ATOM 368 N GLY A 28 19.116 14.630 1.700 1.00 0.00 N ATOM 369 CA GLY A 28 19.154 14.459 0.264 1.00 0.00 C ATOM 370 C GLY A 28 19.738 13.120 -0.125 1.00 0.00 C ATOM 371 O GLY A 28 20.446 13.013 -1.125 1.00 0.00 O ATOM 0 H GLY A 28 18.280 14.256 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.145 14.547 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.747 15.258 -0.182 1.00 0.00 H new ATOM 375 N ASN A 29 19.443 12.094 0.666 1.00 0.00 N ATOM 376 CA ASN A 29 19.967 10.751 0.401 1.00 0.00 C ATOM 377 C ASN A 29 18.823 9.749 0.272 1.00 0.00 C ATOM 378 O ASN A 29 17.698 10.027 0.683 1.00 0.00 O ATOM 379 CB ASN A 29 20.914 10.317 1.530 1.00 0.00 C ATOM 380 CG ASN A 29 21.989 9.345 1.061 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.781 8.560 0.134 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.149 9.390 1.698 1.00 0.00 N ATOM 0 H ASN A 29 18.848 12.161 1.492 1.00 0.00 H new ATOM 0 HA ASN A 29 20.521 10.777 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.390 11.199 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.333 9.852 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.905 8.762 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.286 10.053 2.461 1.00 0.00 H new ATOM 388 N TRP A 30 19.121 8.583 -0.286 1.00 0.00 N ATOM 389 CA TRP A 30 18.120 7.541 -0.477 1.00 0.00 C ATOM 390 C TRP A 30 18.233 6.462 0.588 1.00 0.00 C ATOM 391 O TRP A 30 19.262 5.793 0.700 1.00 0.00 O ATOM 392 CB TRP A 30 18.272 6.882 -1.845 1.00 0.00 C ATOM 393 CG TRP A 30 18.012 7.797 -2.997 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.920 8.235 -3.913 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.758 8.381 -3.359 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.305 9.050 -4.826 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.979 9.158 -4.506 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.469 8.320 -2.826 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.961 9.867 -5.130 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.459 9.027 -3.448 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.710 9.790 -4.590 1.00 0.00 C ATOM 0 H TRP A 30 20.053 8.334 -0.616 1.00 0.00 H new ATOM 0 HA TRP A 30 17.146 8.024 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.282 6.483 -1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.588 6.035 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.969 7.978 -3.919 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.762 9.503 -5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.266 7.731 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.153 10.459 -6.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.458 8.989 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.898 10.330 -5.055 1.00 0.00 H new ATOM 411 N VAL A 31 17.180 6.299 1.366 1.00 0.00 N ATOM 412 CA VAL A 31 17.148 5.279 2.398 1.00 0.00 C ATOM 413 C VAL A 31 15.973 4.336 2.177 1.00 0.00 C ATOM 414 O VAL A 31 14.846 4.773 1.955 1.00 0.00 O ATOM 415 CB VAL A 31 17.085 5.878 3.817 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.455 6.388 4.236 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.060 7.000 3.904 1.00 0.00 C ATOM 0 H VAL A 31 16.332 6.862 1.303 1.00 0.00 H new ATOM 0 HA VAL A 31 18.082 4.721 2.322 1.00 0.00 H new ATOM 0 HB VAL A 31 16.774 5.086 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.395 6.808 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.168 5.563 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.785 7.158 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.042 7.399 4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.329 7.793 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.074 6.612 3.650 1.00 0.00 H new ATOM 427 N THR A 32 16.251 3.043 2.216 1.00 0.00 N ATOM 428 CA THR A 32 15.226 2.034 2.011 1.00 0.00 C ATOM 429 C THR A 32 14.355 1.896 3.252 1.00 0.00 C ATOM 430 O THR A 32 14.812 1.414 4.291 1.00 0.00 O ATOM 431 CB THR A 32 15.855 0.670 1.675 1.00 0.00 C ATOM 432 OG1 THR A 32 16.842 0.837 0.649 1.00 0.00 O ATOM 433 CG2 THR A 32 14.799 -0.322 1.208 1.00 0.00 C ATOM 0 H THR A 32 17.183 2.667 2.389 1.00 0.00 H new ATOM 0 HA THR A 32 14.609 2.355 1.172 1.00 0.00 H new ATOM 0 HB THR A 32 16.320 0.276 2.579 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.449 1.321 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.273 -1.276 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.060 -0.465 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.307 0.064 0.315 1.00 0.00 H new ATOM 441 N SER A 33 13.110 2.319 3.137 1.00 0.00 N ATOM 442 CA SER A 33 12.181 2.247 4.250 1.00 0.00 C ATOM 443 C SER A 33 10.941 1.450 3.867 1.00 0.00 C ATOM 444 O SER A 33 10.593 1.354 2.687 1.00 0.00 O ATOM 445 CB SER A 33 11.797 3.654 4.712 1.00 0.00 C ATOM 446 OG SER A 33 12.931 4.356 5.201 1.00 0.00 O ATOM 0 H SER A 33 12.718 2.717 2.283 1.00 0.00 H new ATOM 0 HA SER A 33 12.672 1.733 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.354 4.205 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.040 3.590 5.493 1.00 0.00 H new ATOM 0 HG SER A 33 12.785 5.320 5.105 1.00 0.00 H new ATOM 451 N GLU A 34 10.288 0.873 4.869 1.00 0.00 N ATOM 452 CA GLU A 34 9.093 0.073 4.652 1.00 0.00 C ATOM 453 C GLU A 34 8.007 0.425 5.663 1.00 0.00 C ATOM 454 O GLU A 34 8.294 0.707 6.824 1.00 0.00 O ATOM 455 CB GLU A 34 9.409 -1.421 4.767 1.00 0.00 C ATOM 456 CG GLU A 34 10.392 -1.942 3.733 1.00 0.00 C ATOM 457 CD GLU A 34 10.581 -3.442 3.826 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.180 -3.907 4.821 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.130 -4.166 2.910 1.00 0.00 O ATOM 0 H GLU A 34 10.571 0.947 5.846 1.00 0.00 H new ATOM 0 HA GLU A 34 8.735 0.294 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.809 -1.619 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.479 -1.983 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.038 -1.684 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.354 -1.448 3.868 1.00 0.00 H new ATOM 464 N LEU A 35 6.765 0.412 5.207 1.00 0.00 N ATOM 465 CA LEU A 35 5.621 0.695 6.065 1.00 0.00 C ATOM 466 C LEU A 35 4.527 -0.317 5.763 1.00 0.00 C ATOM 467 O LEU A 35 4.183 -0.535 4.601 1.00 0.00 O ATOM 468 CB LEU A 35 5.108 2.128 5.836 1.00 0.00 C ATOM 469 CG LEU A 35 4.234 2.737 6.953 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.851 2.104 6.989 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.918 2.594 8.304 1.00 0.00 C ATOM 0 H LEU A 35 6.520 0.207 4.238 1.00 0.00 H new ATOM 0 HA LEU A 35 5.920 0.615 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.970 2.778 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.534 2.140 4.910 1.00 0.00 H new ATOM 0 HG LEU A 35 4.109 3.797 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.264 2.558 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.351 2.267 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.945 1.034 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.287 3.029 9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.081 1.538 8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.877 3.112 8.283 1.00 0.00 H new ATOM 482 N ASP A 36 3.998 -0.944 6.800 1.00 0.00 N ATOM 483 CA ASP A 36 2.950 -1.940 6.629 1.00 0.00 C ATOM 484 C ASP A 36 1.589 -1.269 6.642 1.00 0.00 C ATOM 485 O ASP A 36 1.124 -0.805 7.684 1.00 0.00 O ATOM 486 CB ASP A 36 3.019 -2.989 7.742 1.00 0.00 C ATOM 487 CG ASP A 36 4.375 -3.658 7.830 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.630 -4.601 7.060 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.194 -3.243 8.680 1.00 0.00 O ATOM 0 H ASP A 36 4.275 -0.783 7.768 1.00 0.00 H new ATOM 0 HA ASP A 36 3.098 -2.436 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.789 -2.516 8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.255 -3.747 7.570 1.00 0.00 H new ATOM 493 N LEU A 37 0.948 -1.224 5.485 1.00 0.00 N ATOM 494 CA LEU A 37 -0.360 -0.595 5.359 1.00 0.00 C ATOM 495 C LEU A 37 -1.480 -1.524 5.813 1.00 0.00 C ATOM 496 O LEU A 37 -2.570 -1.065 6.148 1.00 0.00 O ATOM 497 CB LEU A 37 -0.619 -0.188 3.913 1.00 0.00 C ATOM 498 CG LEU A 37 0.605 0.252 3.120 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.201 0.604 1.704 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.281 1.431 3.791 1.00 0.00 C ATOM 0 H LEU A 37 1.312 -1.616 4.617 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.352 0.286 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.081 -1.029 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.344 0.626 3.909 1.00 0.00 H new ATOM 0 HG LEU A 37 1.318 -0.572 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.081 0.918 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.243 -0.268 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.526 1.416 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.153 1.730 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.582 2.265 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.595 1.147 4.795 1.00 0.00 H new ATOM 511 N ASP A 38 -1.208 -2.826 5.852 1.00 0.00 N ATOM 512 CA ASP A 38 -2.224 -3.807 6.249 1.00 0.00 C ATOM 513 C ASP A 38 -2.613 -3.641 7.713 1.00 0.00 C ATOM 514 O ASP A 38 -3.532 -4.297 8.200 1.00 0.00 O ATOM 515 CB ASP A 38 -1.752 -5.239 5.984 1.00 0.00 C ATOM 516 CG ASP A 38 -0.688 -5.707 6.956 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.447 -5.195 6.893 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.983 -6.606 7.769 1.00 0.00 O ATOM 0 H ASP A 38 -0.301 -3.228 5.616 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.106 -3.620 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.607 -5.913 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.361 -5.304 4.969 1.00 0.00 H new ATOM 522 N THR A 39 -1.919 -2.749 8.397 1.00 0.00 N ATOM 523 CA THR A 39 -2.185 -2.472 9.792 1.00 0.00 C ATOM 524 C THR A 39 -3.339 -1.480 9.935 1.00 0.00 C ATOM 525 O THR A 39 -3.856 -1.269 11.032 1.00 0.00 O ATOM 526 CB THR A 39 -0.927 -1.910 10.478 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.499 -0.712 9.815 1.00 0.00 O ATOM 528 CG2 THR A 39 0.194 -2.931 10.444 1.00 0.00 C ATOM 0 H THR A 39 -1.157 -2.199 8.000 1.00 0.00 H new ATOM 0 HA THR A 39 -2.465 -3.408 10.275 1.00 0.00 H new ATOM 0 HB THR A 39 -1.173 -1.683 11.516 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.195 -0.931 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.077 -2.519 10.933 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.121 -3.835 10.966 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.433 -3.174 9.409 1.00 0.00 H new ATOM 536 N CYS A 40 -3.736 -0.865 8.821 1.00 0.00 N ATOM 537 CA CYS A 40 -4.832 0.099 8.839 1.00 0.00 C ATOM 538 C CYS A 40 -5.726 -0.017 7.595 1.00 0.00 C ATOM 539 O CYS A 40 -6.738 0.681 7.488 1.00 0.00 O ATOM 540 CB CYS A 40 -4.277 1.521 8.968 1.00 0.00 C ATOM 541 SG CYS A 40 -5.534 2.783 9.289 1.00 0.00 S ATOM 0 H CYS A 40 -3.318 -1.016 7.903 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.455 -0.127 9.704 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.544 1.541 9.775 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.748 1.777 8.050 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.972 3.954 9.332 1.00 0.00 H new ATOM 546 N ILE A 41 -5.359 -0.888 6.657 1.00 0.00 N ATOM 547 CA ILE A 41 -6.159 -1.090 5.451 1.00 0.00 C ATOM 548 C ILE A 41 -6.825 -2.457 5.497 1.00 0.00 C ATOM 549 O ILE A 41 -6.183 -3.456 5.837 1.00 0.00 O ATOM 550 CB ILE A 41 -5.320 -0.996 4.155 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.620 0.357 4.050 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.202 -1.224 2.933 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.792 0.513 2.790 1.00 0.00 C ATOM 0 H ILE A 41 -4.518 -1.462 6.708 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.902 -0.293 5.431 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.557 -1.774 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.369 1.148 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.975 0.492 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.597 -1.155 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.655 -2.214 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.986 -0.467 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.324 1.497 2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.020 -0.256 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.436 0.410 1.916 1.00 0.00 H new ATOM 564 N GLY A 42 -8.103 -2.499 5.153 1.00 0.00 N ATOM 565 CA GLY A 42 -8.834 -3.748 5.158 1.00 0.00 C ATOM 566 C GLY A 42 -9.865 -3.790 4.058 1.00 0.00 C ATOM 567 O GLY A 42 -10.314 -2.742 3.585 1.00 0.00 O ATOM 0 H GLY A 42 -8.649 -1.686 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.138 -4.578 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.324 -3.880 6.123 1.00 0.00 H new ATOM 571 N ASN A 43 -10.231 -4.996 3.641 1.00 0.00 N ATOM 572 CA ASN A 43 -11.215 -5.169 2.580 1.00 0.00 C ATOM 573 C ASN A 43 -11.866 -6.562 2.572 1.00 0.00 C ATOM 574 O ASN A 43 -12.039 -7.148 1.504 1.00 0.00 O ATOM 575 CB ASN A 43 -10.558 -4.906 1.220 1.00 0.00 C ATOM 576 CG ASN A 43 -9.280 -5.707 1.007 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.112 -6.804 1.535 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.362 -5.153 0.234 1.00 0.00 N ATOM 0 H ASN A 43 -9.862 -5.868 4.021 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.011 -4.449 2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.267 -5.148 0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.332 -3.843 1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.482 -5.638 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.534 -4.241 -0.189 1.00 0.00 H new ATOM 584 N PRO A 44 -12.290 -7.107 3.738 1.00 0.00 N ATOM 585 CA PRO A 44 -12.920 -8.438 3.789 1.00 0.00 C ATOM 586 C PRO A 44 -14.273 -8.449 3.082 1.00 0.00 C ATOM 587 O PRO A 44 -14.752 -9.492 2.637 1.00 0.00 O ATOM 588 CB PRO A 44 -13.101 -8.693 5.288 1.00 0.00 C ATOM 589 CG PRO A 44 -13.135 -7.340 5.907 1.00 0.00 C ATOM 590 CD PRO A 44 -12.222 -6.485 5.076 1.00 0.00 C ATOM 0 HA PRO A 44 -12.320 -9.197 3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.022 -9.241 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.282 -9.290 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.148 -6.938 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.800 -7.376 6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.554 -5.447 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.205 -6.486 5.468 1.00 0.00 H new ATOM 595 N ASN A 45 -14.876 -7.269 2.980 1.00 0.00 N ATOM 596 CA ASN A 45 -16.173 -7.116 2.331 1.00 0.00 C ATOM 597 C ASN A 45 -16.003 -6.984 0.824 1.00 0.00 C ATOM 598 O ASN A 45 -16.955 -7.141 0.065 1.00 0.00 O ATOM 599 CB ASN A 45 -16.904 -5.878 2.868 1.00 0.00 C ATOM 600 CG ASN A 45 -17.137 -5.924 4.366 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.253 -6.995 4.962 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.215 -4.756 4.984 1.00 0.00 N ATOM 0 H ASN A 45 -14.484 -6.399 3.341 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.764 -8.005 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.324 -4.988 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.864 -5.782 2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.377 -4.721 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.113 -3.891 4.454 1.00 0.00 H new ATOM 608 N GLY A 46 -14.782 -6.711 0.393 1.00 0.00 N ATOM 609 CA GLY A 46 -14.522 -6.548 -1.020 1.00 0.00 C ATOM 610 C GLY A 46 -14.308 -5.099 -1.396 1.00 0.00 C ATOM 611 O GLY A 46 -14.204 -4.765 -2.575 1.00 0.00 O ATOM 0 H GLY A 46 -13.967 -6.600 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.641 -7.127 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.359 -6.950 -1.591 1.00 0.00 H new ATOM 615 N PHE A 47 -14.250 -4.232 -0.396 1.00 0.00 N ATOM 616 CA PHE A 47 -14.046 -2.812 -0.631 1.00 0.00 C ATOM 617 C PHE A 47 -12.843 -2.318 0.156 1.00 0.00 C ATOM 618 O PHE A 47 -12.700 -2.613 1.340 1.00 0.00 O ATOM 619 CB PHE A 47 -15.303 -2.020 -0.275 1.00 0.00 C ATOM 620 CG PHE A 47 -16.495 -2.414 -1.104 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.479 -2.250 -2.484 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.626 -2.957 -0.510 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.570 -2.619 -3.252 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.717 -3.326 -1.275 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.689 -3.155 -2.646 1.00 0.00 C ATOM 0 H PHE A 47 -14.342 -4.488 0.587 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.846 -2.657 -1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.534 -2.169 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.107 -0.956 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.606 -1.830 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.654 -3.093 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.546 -2.488 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.591 -3.748 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.542 -3.441 -3.243 1.00 0.00 H new ATOM 634 N LEU A 48 -11.983 -1.573 -0.520 1.00 0.00 N ATOM 635 CA LEU A 48 -10.760 -1.057 0.085 1.00 0.00 C ATOM 636 C LEU A 48 -10.978 0.271 0.782 1.00 0.00 C ATOM 637 O LEU A 48 -11.664 1.156 0.267 1.00 0.00 O ATOM 638 CB LEU A 48 -9.678 -0.875 -0.978 1.00 0.00 C ATOM 639 CG LEU A 48 -8.845 -2.116 -1.299 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.707 -3.197 -1.913 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.700 -1.759 -2.231 1.00 0.00 C ATOM 0 H LEU A 48 -12.109 -1.309 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.447 -1.790 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.152 -0.531 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.004 -0.083 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.429 -2.499 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.093 -4.070 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.496 -3.475 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.154 -2.826 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.117 -2.653 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.100 -1.351 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.060 -1.016 -1.754 1.00 0.00 H new ATOM 652 N GLY A 49 -10.371 0.408 1.945 1.00 0.00 N ATOM 653 CA GLY A 49 -10.477 1.632 2.694 1.00 0.00 C ATOM 654 C GLY A 49 -9.653 1.584 3.956 1.00 0.00 C ATOM 655 O GLY A 49 -9.124 0.527 4.316 1.00 0.00 O ATOM 0 H GLY A 49 -9.802 -0.315 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.148 2.467 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.521 1.815 2.947 1.00 0.00 H new ATOM 659 N TRP A 50 -9.536 2.717 4.622 1.00 0.00 N ATOM 660 CA TRP A 50 -8.772 2.800 5.852 1.00 0.00 C ATOM 661 C TRP A 50 -9.702 2.631 7.045 1.00 0.00 C ATOM 662 O TRP A 50 -10.701 3.342 7.175 1.00 0.00 O ATOM 663 CB TRP A 50 -8.029 4.139 5.938 1.00 0.00 C ATOM 664 CG TRP A 50 -6.982 4.318 4.876 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.154 4.862 3.633 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.597 3.953 4.965 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.959 4.860 2.948 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.993 4.303 3.742 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.811 3.363 5.958 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.642 4.083 3.489 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.469 3.144 5.704 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.898 3.503 4.479 1.00 0.00 C ATOM 0 H TRP A 50 -9.962 3.596 4.330 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.031 2.001 5.861 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.752 4.951 5.863 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.558 4.221 6.918 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.089 5.238 3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.817 5.216 2.003 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.244 3.083 6.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.197 4.360 2.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.852 2.688 6.464 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.847 3.318 4.311 1.00 0.00 H new ATOM 682 N GLY A 51 -9.376 1.679 7.899 1.00 0.00 N ATOM 683 CA GLY A 51 -10.189 1.411 9.066 1.00 0.00 C ATOM 684 C GLY A 51 -9.996 -0.003 9.552 1.00 0.00 C ATOM 685 O GLY A 51 -9.590 -0.230 10.692 1.00 0.00 O ATOM 0 H GLY A 51 -8.555 1.081 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.930 2.110 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.239 1.576 8.826 1.00 0.00 H new ATOM 689 N MET A 52 -10.282 -0.955 8.678 1.00 0.00 N ATOM 690 CA MET A 52 -10.125 -2.365 8.995 1.00 0.00 C ATOM 691 C MET A 52 -8.670 -2.752 8.731 1.00 0.00 C ATOM 692 O MET A 52 -7.888 -1.910 8.305 1.00 0.00 O ATOM 693 CB MET A 52 -11.091 -3.194 8.140 1.00 0.00 C ATOM 694 CG MET A 52 -11.456 -4.544 8.737 1.00 0.00 C ATOM 695 SD MET A 52 -12.195 -4.393 10.377 1.00 0.00 S ATOM 696 CE MET A 52 -12.522 -6.112 10.761 1.00 0.00 C ATOM 0 H MET A 52 -10.627 -0.774 7.735 1.00 0.00 H new ATOM 0 HA MET A 52 -10.361 -2.559 10.041 1.00 0.00 H new ATOM 0 HB2 MET A 52 -12.004 -2.620 7.985 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.644 -3.353 7.159 1.00 0.00 H new ATOM 0 HG2 MET A 52 -12.153 -5.056 8.073 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.562 -5.164 8.800 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.981 -6.184 11.747 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.198 -6.529 10.015 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.586 -6.671 10.755 1.00 0.00 H new ATOM 704 N GLN A 53 -8.289 -3.995 8.983 1.00 0.00 N ATOM 705 CA GLN A 53 -6.906 -4.402 8.757 1.00 0.00 C ATOM 706 C GLN A 53 -6.822 -5.774 8.089 1.00 0.00 C ATOM 707 O GLN A 53 -7.847 -6.414 7.837 1.00 0.00 O ATOM 708 CB GLN A 53 -6.132 -4.404 10.080 1.00 0.00 C ATOM 709 CG GLN A 53 -6.739 -5.304 11.141 1.00 0.00 C ATOM 710 CD GLN A 53 -5.915 -5.348 12.414 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.693 -5.189 12.390 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.579 -5.580 13.532 1.00 0.00 N ATOM 0 H GLN A 53 -8.903 -4.729 9.337 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.453 -3.678 8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.107 -4.721 9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.084 -3.385 10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.744 -4.955 11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.838 -6.314 10.742 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.591 -5.706 13.507 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.080 -5.633 14.420 1.00 0.00 H new ATOM 719 N ASN A 54 -5.588 -6.198 7.804 1.00 0.00 N ATOM 720 CA ASN A 54 -5.308 -7.490 7.171 1.00 0.00 C ATOM 721 C ASN A 54 -5.911 -7.586 5.769 1.00 0.00 C ATOM 722 O ASN A 54 -6.402 -8.644 5.370 1.00 0.00 O ATOM 723 CB ASN A 54 -5.810 -8.655 8.040 1.00 0.00 C ATOM 724 CG ASN A 54 -4.897 -8.955 9.216 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.228 -8.424 10.379 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.917 -9.690 9.085 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.751 -5.652 8.007 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.225 -7.563 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.807 -8.420 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.903 -9.548 7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.692 -10.082 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.330 -9.906 9.891 1.00 0.00 H new ATOM 732 N PHE A 55 -5.844 -6.493 5.007 1.00 0.00 N ATOM 733 CA PHE A 55 -6.398 -6.470 3.650 1.00 0.00 C ATOM 734 C PHE A 55 -5.629 -7.407 2.721 1.00 0.00 C ATOM 735 O PHE A 55 -6.208 -7.999 1.816 1.00 0.00 O ATOM 736 CB PHE A 55 -6.392 -5.044 3.071 1.00 0.00 C ATOM 737 CG PHE A 55 -5.071 -4.596 2.502 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.030 -4.221 3.332 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.877 -4.550 1.129 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.819 -3.810 2.807 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.669 -4.139 0.598 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.639 -3.769 1.439 1.00 0.00 C ATOM 0 H PHE A 55 -5.415 -5.616 5.303 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.429 -6.816 3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.148 -4.982 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.688 -4.348 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.165 -4.250 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.680 -4.839 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.014 -3.521 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.531 -4.107 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.694 -3.448 1.027 1.00 0.00 H new ATOM 751 N SER A 56 -4.330 -7.558 2.966 1.00 0.00 N ATOM 752 CA SER A 56 -3.486 -8.408 2.137 1.00 0.00 C ATOM 753 C SER A 56 -3.952 -9.859 2.185 1.00 0.00 C ATOM 754 O SER A 56 -3.840 -10.593 1.207 1.00 0.00 O ATOM 755 CB SER A 56 -2.030 -8.301 2.593 1.00 0.00 C ATOM 756 OG SER A 56 -1.912 -8.574 3.979 1.00 0.00 O ATOM 0 H SER A 56 -3.840 -7.101 3.735 1.00 0.00 H new ATOM 0 HA SER A 56 -3.563 -8.066 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.415 -9.001 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.651 -7.301 2.382 1.00 0.00 H new ATOM 0 HG SER A 56 -1.107 -9.109 4.140 1.00 0.00 H new ATOM 761 N HIS A 57 -4.501 -10.257 3.325 1.00 0.00 N ATOM 762 CA HIS A 57 -4.989 -11.618 3.501 1.00 0.00 C ATOM 763 C HIS A 57 -6.348 -11.805 2.831 1.00 0.00 C ATOM 764 O HIS A 57 -6.819 -12.927 2.663 1.00 0.00 O ATOM 765 CB HIS A 57 -5.073 -11.971 4.988 1.00 0.00 C ATOM 766 CG HIS A 57 -3.753 -12.360 5.586 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.910 -11.473 6.230 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.132 -13.561 5.634 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.831 -12.116 6.639 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.941 -13.383 6.292 1.00 0.00 N ATOM 0 H HIS A 57 -4.619 -9.657 4.141 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.280 -12.294 3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.473 -11.117 5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.778 -12.792 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.505 -14.490 5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.998 -11.677 7.169 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.253 -14.112 6.482 1.00 0.00 H new ATOM 778 N SER A 58 -6.966 -10.702 2.435 1.00 0.00 N ATOM 779 CA SER A 58 -8.262 -10.751 1.777 1.00 0.00 C ATOM 780 C SER A 58 -8.180 -10.146 0.377 1.00 0.00 C ATOM 781 O SER A 58 -9.180 -9.698 -0.177 1.00 0.00 O ATOM 782 CB SER A 58 -9.311 -10.016 2.615 1.00 0.00 C ATOM 783 OG SER A 58 -9.396 -10.572 3.918 1.00 0.00 O ATOM 0 H SER A 58 -6.590 -9.762 2.558 1.00 0.00 H new ATOM 0 HA SER A 58 -8.560 -11.795 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.054 -8.959 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.283 -10.077 2.125 1.00 0.00 H new ATOM 0 HG SER A 58 -10.071 -10.087 4.437 1.00 0.00 H new ATOM 788 N SER A 59 -6.980 -10.138 -0.195 1.00 0.00 N ATOM 789 CA SER A 59 -6.778 -9.592 -1.530 1.00 0.00 C ATOM 790 C SER A 59 -5.841 -10.471 -2.345 1.00 0.00 C ATOM 791 O SER A 59 -4.985 -11.168 -1.797 1.00 0.00 O ATOM 792 CB SER A 59 -6.204 -8.175 -1.457 1.00 0.00 C ATOM 793 OG SER A 59 -7.088 -7.298 -0.791 1.00 0.00 O ATOM 0 H SER A 59 -6.135 -10.503 0.245 1.00 0.00 H new ATOM 0 HA SER A 59 -7.751 -9.561 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.246 -8.194 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.012 -7.806 -2.464 1.00 0.00 H new ATOM 0 HG SER A 59 -7.037 -7.453 0.175 1.00 0.00 H new ATOM 798 N GLU A 60 -6.021 -10.430 -3.655 1.00 0.00 N ATOM 799 CA GLU A 60 -5.206 -11.200 -4.579 1.00 0.00 C ATOM 800 C GLU A 60 -4.697 -10.279 -5.683 1.00 0.00 C ATOM 801 O GLU A 60 -5.454 -9.447 -6.194 1.00 0.00 O ATOM 802 CB GLU A 60 -6.030 -12.354 -5.155 1.00 0.00 C ATOM 803 CG GLU A 60 -6.511 -13.331 -4.089 1.00 0.00 C ATOM 804 CD GLU A 60 -7.569 -14.295 -4.588 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.768 -14.390 -5.815 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.212 -14.960 -3.747 1.00 0.00 O ATOM 0 H GLU A 60 -6.737 -9.861 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.348 -11.626 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.892 -11.949 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.429 -12.892 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.659 -13.900 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.912 -12.769 -3.246 1.00 0.00 H new ATOM 811 N ASP A 61 -3.415 -10.420 -6.027 1.00 0.00 N ATOM 812 CA ASP A 61 -2.771 -9.595 -7.055 1.00 0.00 C ATOM 813 C ASP A 61 -2.708 -8.137 -6.601 1.00 0.00 C ATOM 814 O ASP A 61 -3.565 -7.322 -6.944 1.00 0.00 O ATOM 815 CB ASP A 61 -3.499 -9.713 -8.401 1.00 0.00 C ATOM 816 CG ASP A 61 -2.757 -9.016 -9.528 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.708 -9.540 -9.959 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.224 -7.954 -9.994 1.00 0.00 O ATOM 0 H ASP A 61 -2.793 -11.108 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.754 -9.962 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.625 -10.766 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.497 -9.285 -8.309 1.00 0.00 H new ATOM 822 N ILE A 62 -1.698 -7.825 -5.798 1.00 0.00 N ATOM 823 CA ILE A 62 -1.520 -6.477 -5.273 1.00 0.00 C ATOM 824 C ILE A 62 -0.386 -5.749 -5.993 1.00 0.00 C ATOM 825 O ILE A 62 0.753 -6.217 -6.002 1.00 0.00 O ATOM 826 CB ILE A 62 -1.230 -6.518 -3.756 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.346 -7.276 -3.031 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.092 -5.108 -3.202 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.101 -7.470 -1.549 1.00 0.00 C ATOM 0 H ILE A 62 -0.987 -8.491 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.448 -5.932 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.288 -7.041 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.284 -6.737 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.470 -8.253 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.888 -5.156 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.271 -4.598 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.018 -4.559 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.937 -8.015 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.182 -8.037 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.008 -6.498 -1.065 1.00 0.00 H new ATOM 840 N LYS A 63 -0.702 -4.606 -6.594 1.00 0.00 N ATOM 841 CA LYS A 63 0.290 -3.818 -7.312 1.00 0.00 C ATOM 842 C LYS A 63 -0.037 -2.331 -7.193 1.00 0.00 C ATOM 843 O LYS A 63 -1.189 -1.957 -7.005 1.00 0.00 O ATOM 844 CB LYS A 63 0.318 -4.226 -8.786 1.00 0.00 C ATOM 845 CG LYS A 63 1.693 -4.120 -9.421 1.00 0.00 C ATOM 846 CD LYS A 63 2.651 -5.133 -8.813 1.00 0.00 C ATOM 847 CE LYS A 63 3.995 -5.133 -9.519 1.00 0.00 C ATOM 848 NZ LYS A 63 4.881 -6.217 -9.017 1.00 0.00 N ATOM 0 H LYS A 63 -1.640 -4.205 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 63 1.270 -4.003 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.037 -5.253 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.379 -3.598 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.616 -4.286 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.086 -3.113 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.796 -4.908 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.211 -6.129 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.843 -5.255 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.482 -4.169 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.789 -6.185 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.047 -6.086 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.427 -7.139 -9.178 1.00 0.00 H new ATOM 858 N LEU A 64 0.975 -1.487 -7.298 1.00 0.00 N ATOM 859 CA LEU A 64 0.781 -0.044 -7.204 1.00 0.00 C ATOM 860 C LEU A 64 0.409 0.541 -8.562 1.00 0.00 C ATOM 861 O LEU A 64 1.117 0.349 -9.549 1.00 0.00 O ATOM 862 CB LEU A 64 2.049 0.614 -6.662 1.00 0.00 C ATOM 863 CG LEU A 64 2.352 0.302 -5.196 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.773 0.706 -4.842 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.358 1.003 -4.286 1.00 0.00 C ATOM 0 H LEU A 64 1.942 -1.773 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.041 0.156 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.896 0.296 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.960 1.694 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 64 2.256 -0.774 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.967 0.475 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.475 0.157 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.899 1.776 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.589 0.770 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.422 2.080 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.349 0.663 -4.519 1.00 0.00 H new ATOM 876 N GLU A 65 -0.708 1.266 -8.592 1.00 0.00 N ATOM 877 CA GLU A 65 -1.214 1.869 -9.819 1.00 0.00 C ATOM 878 C GLU A 65 -0.453 3.142 -10.174 1.00 0.00 C ATOM 879 O GLU A 65 0.136 3.244 -11.248 1.00 0.00 O ATOM 880 CB GLU A 65 -2.706 2.178 -9.670 1.00 0.00 C ATOM 881 CG GLU A 65 -3.300 2.903 -10.867 1.00 0.00 C ATOM 882 CD GLU A 65 -4.788 3.146 -10.734 1.00 0.00 C ATOM 883 OE1 GLU A 65 -5.572 2.199 -10.951 1.00 0.00 O ATOM 884 OE2 GLU A 65 -5.183 4.288 -10.423 1.00 0.00 O ATOM 0 H GLU A 65 -1.283 1.450 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.067 1.155 -10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.248 1.245 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.855 2.785 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.792 3.859 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.112 2.319 -11.768 1.00 0.00 H new ATOM 889 N GLU A 66 -0.459 4.110 -9.268 1.00 0.00 N ATOM 890 CA GLU A 66 0.217 5.378 -9.503 1.00 0.00 C ATOM 891 C GLU A 66 1.662 5.322 -9.044 1.00 0.00 C ATOM 892 O GLU A 66 2.177 6.274 -8.455 1.00 0.00 O ATOM 893 CB GLU A 66 -0.517 6.499 -8.782 1.00 0.00 C ATOM 894 CG GLU A 66 -1.985 6.535 -9.122 1.00 0.00 C ATOM 895 CD GLU A 66 -2.724 7.691 -8.484 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.267 8.844 -8.620 1.00 0.00 O ATOM 897 OE2 GLU A 66 -3.788 7.452 -7.878 1.00 0.00 O ATOM 0 H GLU A 66 -0.925 4.041 -8.363 1.00 0.00 H new ATOM 0 HA GLU A 66 0.210 5.574 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.399 6.374 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.063 7.455 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.098 6.595 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.446 5.600 -8.805 1.00 0.00 H new ATOM 902 N GLY A 67 2.294 4.184 -9.287 1.00 0.00 N ATOM 903 CA GLY A 67 3.685 3.994 -8.914 1.00 0.00 C ATOM 904 C GLY A 67 3.924 4.094 -7.419 1.00 0.00 C ATOM 905 O GLY A 67 5.069 4.159 -6.977 1.00 0.00 O ATOM 0 H GLY A 67 1.864 3.378 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.018 3.017 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.296 4.739 -9.423 1.00 0.00 H new ATOM 909 N GLY A 68 2.849 4.112 -6.639 1.00 0.00 N ATOM 910 CA GLY A 68 2.988 4.207 -5.204 1.00 0.00 C ATOM 911 C GLY A 68 2.006 5.178 -4.585 1.00 0.00 C ATOM 912 O GLY A 68 1.801 5.165 -3.375 1.00 0.00 O ATOM 0 H GLY A 68 1.888 4.063 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.844 3.221 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.004 4.520 -4.961 1.00 0.00 H new ATOM 916 N ARG A 69 1.380 6.014 -5.410 1.00 0.00 N ATOM 917 CA ARG A 69 0.422 6.989 -4.901 1.00 0.00 C ATOM 918 C ARG A 69 -0.912 6.295 -4.632 1.00 0.00 C ATOM 919 O ARG A 69 -1.725 6.756 -3.831 1.00 0.00 O ATOM 920 CB ARG A 69 0.232 8.124 -5.912 1.00 0.00 C ATOM 921 CG ARG A 69 -0.242 9.433 -5.302 1.00 0.00 C ATOM 922 CD ARG A 69 0.894 10.184 -4.620 1.00 0.00 C ATOM 923 NE ARG A 69 1.954 10.568 -5.559 1.00 0.00 N ATOM 924 CZ ARG A 69 2.529 11.776 -5.589 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.135 12.728 -4.749 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.486 12.038 -6.474 1.00 0.00 N ATOM 0 H ARG A 69 1.517 6.036 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 69 0.802 7.415 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.177 8.298 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.488 7.806 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.677 10.060 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.031 9.232 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.497 11.078 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.318 9.560 -3.833 1.00 0.00 H new ATOM 0 HE ARG A 69 2.273 9.870 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.391 12.539 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.577 13.647 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.783 11.318 -7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.923 12.959 -6.495 1.00 0.00 H new ATOM 937 N LYS A 70 -1.107 5.164 -5.297 1.00 0.00 N ATOM 938 CA LYS A 70 -2.326 4.390 -5.163 1.00 0.00 C ATOM 939 C LYS A 70 -2.012 2.903 -5.256 1.00 0.00 C ATOM 940 O LYS A 70 -1.218 2.485 -6.101 1.00 0.00 O ATOM 941 CB LYS A 70 -3.303 4.775 -6.270 1.00 0.00 C ATOM 942 CG LYS A 70 -4.728 4.296 -6.030 1.00 0.00 C ATOM 943 CD LYS A 70 -5.591 4.461 -7.270 1.00 0.00 C ATOM 944 CE LYS A 70 -6.692 5.498 -7.082 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.167 6.877 -6.883 1.00 0.00 N ATOM 0 H LYS A 70 -0.426 4.762 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.775 4.600 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.308 5.860 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.946 4.364 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.715 3.247 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.166 4.856 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.961 4.753 -8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.040 3.501 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.346 5.487 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.302 5.220 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.940 7.563 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.768 6.962 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.425 7.071 -7.586 1.00 0.00 H new ATOM 955 N LEU A 71 -2.633 2.118 -4.392 1.00 0.00 N ATOM 956 CA LEU A 71 -2.434 0.676 -4.374 1.00 0.00 C ATOM 957 C LEU A 71 -3.651 -0.005 -4.987 1.00 0.00 C ATOM 958 O LEU A 71 -4.782 0.260 -4.586 1.00 0.00 O ATOM 959 CB LEU A 71 -2.207 0.198 -2.932 1.00 0.00 C ATOM 960 CG LEU A 71 -1.890 -1.293 -2.749 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.059 -1.500 -1.491 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.171 -2.114 -2.660 1.00 0.00 C ATOM 0 H LEU A 71 -3.286 2.458 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.553 0.416 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.387 0.776 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.099 0.432 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.322 -1.629 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.840 -2.561 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.125 -0.944 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.616 -1.144 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.920 -3.167 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.762 -1.775 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.748 -1.988 -3.576 1.00 0.00 H new ATOM 973 N THR A 72 -3.423 -0.867 -5.958 1.00 0.00 N ATOM 974 CA THR A 72 -4.507 -1.573 -6.619 1.00 0.00 C ATOM 975 C THR A 72 -4.396 -3.078 -6.415 1.00 0.00 C ATOM 976 O THR A 72 -3.330 -3.666 -6.595 1.00 0.00 O ATOM 977 CB THR A 72 -4.541 -1.256 -8.124 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.203 -1.122 -8.629 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.324 0.016 -8.390 1.00 0.00 C ATOM 0 H THR A 72 -2.493 -1.097 -6.309 1.00 0.00 H new ATOM 0 HA THR A 72 -5.436 -1.228 -6.165 1.00 0.00 H new ATOM 0 HB THR A 72 -5.038 -2.080 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.607 -1.728 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.334 0.220 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.347 -0.105 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.854 0.849 -7.867 1.00 0.00 H new ATOM 987 N CYS A 73 -5.500 -3.692 -6.034 1.00 0.00 N ATOM 988 CA CYS A 73 -5.541 -5.122 -5.804 1.00 0.00 C ATOM 989 C CYS A 73 -6.972 -5.608 -5.912 1.00 0.00 C ATOM 990 O CYS A 73 -7.906 -4.807 -5.916 1.00 0.00 O ATOM 991 CB CYS A 73 -4.977 -5.461 -4.421 1.00 0.00 C ATOM 992 SG CYS A 73 -5.887 -4.727 -3.039 1.00 0.00 S ATOM 0 H CYS A 73 -6.388 -3.216 -5.876 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.929 -5.619 -6.556 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.970 -6.544 -4.301 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.940 -5.129 -4.374 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.469 -5.667 -2.355 1.00 0.00 H new ATOM 997 N ARG A 74 -7.157 -6.906 -6.021 1.00 0.00 N ATOM 998 CA ARG A 74 -8.495 -7.444 -6.108 1.00 0.00 C ATOM 999 C ARG A 74 -8.869 -8.116 -4.799 1.00 0.00 C ATOM 1000 O ARG A 74 -8.415 -9.224 -4.506 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.629 -8.428 -7.265 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.005 -9.068 -7.341 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.045 -10.193 -8.355 1.00 0.00 C ATOM 1004 NE ARG A 74 -10.889 -11.291 -7.898 1.00 0.00 N ATOM 1005 CZ ARG A 74 -10.409 -12.381 -7.297 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -9.096 -12.527 -7.143 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -11.238 -13.327 -6.869 1.00 0.00 N ATOM 0 H ARG A 74 -6.409 -7.599 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.179 -6.617 -6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.423 -7.910 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.876 -9.209 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.282 -9.453 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.744 -8.312 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.421 -9.815 -9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.034 -10.559 -8.534 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.896 -11.222 -8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.459 -11.807 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.726 -13.359 -6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.244 -13.221 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.868 -14.159 -6.410 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.665 -7.428 -3.976 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.126 -7.963 -2.702 1.00 0.00 C ATOM 1020 C PRO A 75 -11.128 -9.077 -2.928 1.00 0.00 C ATOM 1021 O PRO A 75 -11.926 -9.015 -3.863 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.798 -6.770 -2.027 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.223 -5.899 -3.153 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.182 -6.071 -4.221 1.00 0.00 C ATOM 0 HA PRO A 75 -9.319 -8.388 -2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.650 -7.083 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.109 -6.250 -1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.209 -6.186 -3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.291 -4.858 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.611 -5.978 -5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.396 -5.320 -4.141 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.045 -10.105 -2.108 1.00 0.00 N ATOM 1030 CA LYS A 76 -11.937 -11.241 -2.203 1.00 0.00 C ATOM 1031 C LYS A 76 -12.700 -11.448 -0.904 1.00 0.00 C ATOM 1032 O LYS A 76 -12.164 -11.231 0.182 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.138 -12.489 -2.573 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.844 -12.666 -1.777 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.049 -13.442 -0.484 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.082 -14.941 -0.735 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.773 -15.450 -1.224 1.00 0.00 N ATOM 0 H LYS A 76 -10.358 -10.176 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.672 -11.047 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.767 -13.367 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.895 -12.449 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.111 -13.185 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.428 -11.685 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.246 -13.206 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.982 -13.130 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.351 -15.458 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.857 -15.170 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.661 -16.445 -0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.737 -15.376 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.004 -14.885 -0.810 1.00 0.00 H new ATOM 1047 N THR A 77 -13.956 -11.860 -1.010 1.00 0.00 N ATOM 1048 CA THR A 77 -14.756 -12.109 0.172 1.00 0.00 C ATOM 1049 C THR A 77 -14.395 -13.467 0.735 1.00 0.00 C ATOM 1050 O THR A 77 -14.139 -14.414 -0.021 1.00 0.00 O ATOM 1051 CB THR A 77 -16.272 -12.069 -0.111 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.988 -12.044 1.128 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.708 -13.278 -0.927 1.00 0.00 C ATOM 0 H THR A 77 -14.435 -12.026 -1.895 1.00 0.00 H new ATOM 0 HA THR A 77 -14.538 -11.314 0.885 1.00 0.00 H new ATOM 0 HB THR A 77 -16.492 -11.169 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.698 -12.719 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.781 -13.224 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.176 -13.286 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.480 -14.190 -0.376 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.391 -13.548 2.056 1.00 0.00 N ATOM 1062 CA VAL A 78 -14.048 -14.769 2.770 1.00 0.00 C ATOM 1063 C VAL A 78 -15.134 -15.839 2.611 1.00 0.00 C ATOM 1064 O VAL A 78 -14.921 -17.008 2.932 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.813 -14.475 4.268 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -15.113 -14.081 4.964 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.150 -15.656 4.967 1.00 0.00 C ATOM 0 H VAL A 78 -14.627 -12.766 2.666 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.127 -15.154 2.333 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.131 -13.627 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.916 -13.880 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.520 -13.186 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.833 -14.895 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.998 -15.417 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.790 -16.535 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.187 -15.862 4.499 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.292 -15.435 2.096 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.408 -16.359 1.893 1.00 0.00 C ATOM 1079 C ASP A 79 -17.051 -17.445 0.883 1.00 0.00 C ATOM 1080 O ASP A 79 -17.647 -18.523 0.880 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.656 -15.619 1.409 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.172 -14.613 2.415 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.712 -15.028 3.461 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.051 -13.400 2.157 1.00 0.00 O ATOM 0 H ASP A 79 -16.484 -14.475 1.811 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.616 -16.822 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.429 -15.106 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.441 -16.344 1.192 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.081 -17.160 0.028 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.678 -18.132 -0.975 1.00 0.00 C ATOM 1090 C GLY A 80 -14.449 -17.708 -1.757 1.00 0.00 C ATOM 1091 O GLY A 80 -13.839 -18.521 -2.446 1.00 0.00 O ATOM 0 H GLY A 80 -15.566 -16.280 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.479 -19.087 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.504 -18.294 -1.668 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.087 -16.436 -1.660 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.925 -15.944 -2.374 1.00 0.00 C ATOM 1097 C GLY A 81 -13.307 -15.249 -3.656 1.00 0.00 C ATOM 1098 O GLY A 81 -12.491 -15.101 -4.564 1.00 0.00 O ATOM 0 H GLY A 81 -14.576 -15.737 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.373 -15.253 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.257 -16.776 -2.597 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.554 -14.816 -3.722 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.070 -14.141 -4.910 1.00 0.00 C ATOM 1104 C PHE A 82 -15.316 -12.687 -4.581 1.00 0.00 C ATOM 1105 O PHE A 82 -15.609 -12.378 -3.433 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.357 -14.816 -5.411 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.379 -15.057 -4.334 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.369 -16.239 -3.613 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.339 -14.103 -4.039 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.294 -16.464 -2.615 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.270 -14.324 -3.044 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.245 -15.507 -2.329 1.00 0.00 C ATOM 0 H PHE A 82 -15.233 -14.918 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.335 -14.210 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.802 -14.195 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.099 -15.769 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.629 -16.993 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.359 -13.176 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.274 -17.389 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.016 -13.575 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.969 -15.682 -1.547 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.182 -11.797 -5.558 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.400 -10.375 -5.308 1.00 0.00 C ATOM 1123 C ARG A 83 -15.130 -9.531 -6.550 1.00 0.00 C ATOM 1124 O ARG A 83 -15.426 -9.944 -7.670 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.501 -9.921 -4.170 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.154 -8.968 -3.188 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.125 -9.705 -2.287 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.433 -9.893 -2.912 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.595 -9.599 -2.328 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.619 -9.016 -1.136 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.732 -9.865 -2.957 1.00 0.00 N ATOM 0 H ARG A 83 -14.927 -12.029 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.447 -10.236 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.154 -10.800 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.619 -9.439 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.389 -8.481 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.680 -8.183 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.707 -10.677 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.246 -9.150 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.458 -10.274 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.745 -8.790 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.511 -8.794 -0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.715 -10.292 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.624 -9.642 -2.515 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.563 -8.347 -6.336 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.280 -7.413 -7.416 1.00 0.00 C ATOM 1144 C GLU A 84 -12.972 -6.674 -7.140 1.00 0.00 C ATOM 1145 O GLU A 84 -12.591 -6.498 -5.987 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.441 -6.419 -7.524 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.300 -5.413 -8.649 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.108 -6.078 -9.996 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.104 -6.526 -10.590 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -13.950 -6.163 -10.463 1.00 0.00 O ATOM 0 H GLU A 84 -14.289 -8.011 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.174 -7.955 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.368 -6.975 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.532 -5.881 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.188 -4.781 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.452 -4.760 -8.445 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.295 -6.244 -8.203 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.025 -5.529 -8.074 1.00 0.00 C ATOM 1157 C ARG A 85 -11.275 -4.080 -7.668 1.00 0.00 C ATOM 1158 O ARG A 85 -12.335 -3.523 -7.964 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.243 -5.567 -9.392 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.789 -5.136 -9.255 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.113 -4.991 -10.610 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.670 -4.789 -10.477 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.015 -3.707 -10.897 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.673 -2.683 -11.431 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.694 -3.646 -10.767 1.00 0.00 N ATOM 0 H ARG A 85 -12.605 -6.378 -9.165 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.434 -6.023 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.276 -6.579 -9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.738 -4.920 -10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.740 -4.187 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.248 -5.868 -8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.302 -5.883 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.550 -4.149 -11.146 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.127 -5.529 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.688 -2.721 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.163 -1.859 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.186 -4.425 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.188 -2.820 -11.087 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.296 -3.463 -7.013 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.437 -2.086 -6.560 1.00 0.00 C ATOM 1178 C GLN A 86 -9.063 -1.475 -6.255 1.00 0.00 C ATOM 1179 O GLN A 86 -8.036 -2.136 -6.407 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.332 -2.065 -5.317 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.868 -0.691 -4.945 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.797 -0.735 -3.749 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.505 -1.838 -3.585 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.879 0.216 -2.976 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.400 -3.894 -6.785 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.896 -1.486 -7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.175 -2.737 -5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.768 -2.461 -4.473 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.033 -0.025 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.399 -0.268 -5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.316 1.052 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.510 0.170 -2.176 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.051 -0.217 -5.838 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.811 0.457 -5.515 1.00 0.00 C ATOM 1193 C GLY A 87 -7.985 1.429 -4.365 1.00 0.00 C ATOM 1194 O GLY A 87 -9.063 1.998 -4.189 1.00 0.00 O ATOM 0 H GLY A 87 -9.888 0.354 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.052 -0.281 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.448 0.992 -6.392 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.937 1.609 -3.577 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.973 2.515 -2.441 1.00 0.00 C ATOM 1200 C ILE A 88 -5.824 3.518 -2.519 1.00 0.00 C ATOM 1201 O ILE A 88 -4.696 3.171 -2.879 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.914 1.748 -1.097 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.012 2.716 0.084 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.642 0.913 -1.001 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.064 2.025 1.428 1.00 0.00 C ATOM 0 H ILE A 88 -6.043 1.135 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.921 3.052 -2.482 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.768 1.071 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.155 3.389 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.904 3.331 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.625 0.384 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.618 0.191 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.772 1.566 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.133 2.772 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.936 1.373 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.160 1.432 1.567 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.129 4.766 -2.209 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.137 5.831 -2.241 1.00 0.00 C ATOM 1218 C ASP A 89 -4.238 5.771 -1.016 1.00 0.00 C ATOM 1219 O ASP A 89 -4.717 5.742 0.120 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.825 7.192 -2.326 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.488 7.419 -3.666 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.599 6.896 -3.884 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.896 8.117 -4.514 1.00 0.00 O ATOM 0 H ASP A 89 -7.062 5.070 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.517 5.693 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.572 7.268 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.092 7.979 -2.148 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.933 5.775 -1.251 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.956 5.703 -0.170 1.00 0.00 C ATOM 1229 C LEU A 90 -1.463 7.087 0.201 1.00 0.00 C ATOM 1230 O LEU A 90 -0.278 7.304 0.451 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.776 4.842 -0.581 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.137 3.467 -1.121 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.132 2.703 -1.412 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.017 2.711 -0.137 1.00 0.00 C ATOM 0 H LEU A 90 -2.524 5.828 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.445 5.257 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.205 5.375 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.121 4.716 0.281 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.707 3.580 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.119 1.716 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.721 3.245 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.711 2.596 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.261 1.731 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.485 2.588 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.936 3.272 0.035 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.391 8.011 0.254 1.00 0.00 N ATOM 1246 CA ASN A 91 -2.084 9.393 0.589 1.00 0.00 C ATOM 1247 C ASN A 91 -1.907 9.565 2.092 1.00 0.00 C ATOM 1248 O ASN A 91 -1.704 10.673 2.582 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.171 10.326 0.054 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.892 10.775 -1.371 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.316 9.984 -2.350 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.284 11.821 -1.588 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.378 7.834 0.068 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.140 9.659 0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.134 9.817 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.247 11.200 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.974 12.402 -0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.089 12.108 -2.547 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.991 8.455 2.816 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.821 8.462 4.262 1.00 0.00 C ATOM 1260 C ARG A 92 -0.417 8.006 4.641 1.00 0.00 C ATOM 1261 O ARG A 92 -0.054 7.990 5.812 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.832 7.540 4.938 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.253 8.067 4.951 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.086 7.330 5.985 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.713 7.696 7.351 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.522 7.587 8.402 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.767 7.151 8.247 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.083 7.921 9.609 1.00 0.00 N ATOM 0 H ARG A 92 -2.177 7.533 2.421 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.981 9.485 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.820 6.575 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.514 7.364 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.249 9.134 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.700 7.948 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.141 7.552 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.962 6.255 5.851 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.772 8.058 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.107 6.898 7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.383 7.069 9.056 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.128 8.260 9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.700 7.839 10.417 1.00 0.00 H new ATOM 1279 N ILE A 93 0.365 7.612 3.650 1.00 0.00 N ATOM 1280 CA ILE A 93 1.719 7.145 3.906 1.00 0.00 C ATOM 1281 C ILE A 93 2.716 8.230 3.509 1.00 0.00 C ATOM 1282 O ILE A 93 2.899 8.522 2.326 1.00 0.00 O ATOM 1283 CB ILE A 93 2.008 5.821 3.151 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.849 4.840 3.348 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.306 5.181 3.638 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.532 4.561 4.805 1.00 0.00 C ATOM 0 H ILE A 93 0.090 7.605 2.668 1.00 0.00 H new ATOM 0 HA ILE A 93 1.824 6.939 4.971 1.00 0.00 H new ATOM 0 HB ILE A 93 2.114 6.055 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.041 5.239 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.090 3.901 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.483 4.255 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.136 5.867 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.227 4.964 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.299 3.858 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.408 4.132 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.259 5.492 5.303 1.00 0.00 H new ATOM 1297 N GLN A 94 3.337 8.838 4.509 1.00 0.00 N ATOM 1298 CA GLN A 94 4.285 9.917 4.281 1.00 0.00 C ATOM 1299 C GLN A 94 5.649 9.580 4.874 1.00 0.00 C ATOM 1300 O GLN A 94 5.748 8.975 5.940 1.00 0.00 O ATOM 1301 CB GLN A 94 3.750 11.208 4.914 1.00 0.00 C ATOM 1302 CG GLN A 94 4.588 12.452 4.641 1.00 0.00 C ATOM 1303 CD GLN A 94 4.469 12.950 3.211 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.577 13.732 2.891 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.385 12.533 2.349 1.00 0.00 N ATOM 0 H GLN A 94 3.200 8.600 5.491 1.00 0.00 H new ATOM 0 HA GLN A 94 4.404 10.053 3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.738 11.382 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.679 11.065 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.281 13.246 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.634 12.233 4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.111 11.883 2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.364 12.862 1.384 1.00 0.00 H new ATOM 1312 N ASN A 95 6.694 9.968 4.166 1.00 0.00 N ATOM 1313 CA ASN A 95 8.056 9.745 4.616 1.00 0.00 C ATOM 1314 C ASN A 95 8.574 10.980 5.351 1.00 0.00 C ATOM 1315 O ASN A 95 8.627 12.082 4.800 1.00 0.00 O ATOM 1316 CB ASN A 95 8.980 9.396 3.436 1.00 0.00 C ATOM 1317 CG ASN A 95 8.973 10.438 2.327 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.950 11.070 2.048 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.116 10.621 1.685 1.00 0.00 N ATOM 0 H ASN A 95 6.623 10.444 3.267 1.00 0.00 H new ATOM 0 HA ASN A 95 8.055 8.898 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.999 9.278 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.678 8.434 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.173 11.304 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.940 10.079 1.945 1.00 0.00 H new ATOM 1325 N VAL A 96 8.927 10.789 6.610 1.00 0.00 N ATOM 1326 CA VAL A 96 9.444 11.862 7.441 1.00 0.00 C ATOM 1327 C VAL A 96 10.950 11.701 7.607 1.00 0.00 C ATOM 1328 O VAL A 96 11.408 10.812 8.326 1.00 0.00 O ATOM 1329 CB VAL A 96 8.779 11.871 8.835 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.263 13.058 9.654 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.260 11.883 8.710 1.00 0.00 C ATOM 0 H VAL A 96 8.864 9.888 7.084 1.00 0.00 H new ATOM 0 HA VAL A 96 9.217 12.806 6.946 1.00 0.00 H new ATOM 0 HB VAL A 96 9.068 10.958 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.782 13.045 10.632 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.344 12.997 9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.010 13.984 9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.813 11.889 9.704 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.947 12.774 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.932 10.994 8.170 1.00 0.00 H new ATOM 1341 N ASN A 97 11.711 12.536 6.903 1.00 0.00 N ATOM 1342 CA ASN A 97 13.173 12.500 6.958 1.00 0.00 C ATOM 1343 C ASN A 97 13.695 11.152 6.482 1.00 0.00 C ATOM 1344 O ASN A 97 14.660 10.616 7.020 1.00 0.00 O ATOM 1345 CB ASN A 97 13.689 12.801 8.373 1.00 0.00 C ATOM 1346 CG ASN A 97 13.628 14.276 8.722 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.513 14.707 9.289 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.580 15.022 8.489 1.00 0.00 N flip ATOM 0 H ASN A 97 11.336 13.253 6.282 1.00 0.00 H new ATOM 0 HA ASN A 97 13.547 13.277 6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.100 12.237 9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.719 12.454 8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.423 14.651 8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.525 16.010 8.735 1.00 0.00 H new ATOM 1354 N GLY A 98 13.037 10.594 5.476 1.00 0.00 N ATOM 1355 CA GLY A 98 13.452 9.312 4.942 1.00 0.00 C ATOM 1356 C GLY A 98 12.763 8.139 5.617 1.00 0.00 C ATOM 1357 O GLY A 98 12.772 7.027 5.096 1.00 0.00 O ATOM 0 H GLY A 98 12.223 11.006 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.241 9.284 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.531 9.208 5.057 1.00 0.00 H new ATOM 1361 N ARG A 99 12.170 8.380 6.780 1.00 0.00 N ATOM 1362 CA ARG A 99 11.478 7.328 7.515 1.00 0.00 C ATOM 1363 C ARG A 99 10.037 7.224 7.042 1.00 0.00 C ATOM 1364 O ARG A 99 9.293 8.199 7.090 1.00 0.00 O ATOM 1365 CB ARG A 99 11.493 7.599 9.028 1.00 0.00 C ATOM 1366 CG ARG A 99 12.844 7.411 9.706 1.00 0.00 C ATOM 1367 CD ARG A 99 13.830 8.520 9.370 1.00 0.00 C ATOM 1368 NE ARG A 99 15.079 8.367 10.119 1.00 0.00 N ATOM 1369 CZ ARG A 99 16.292 8.598 9.619 1.00 0.00 C ATOM 1370 NH1 ARG A 99 16.431 9.074 8.390 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.365 8.377 10.363 1.00 0.00 N ATOM 0 H ARG A 99 12.154 9.293 7.234 1.00 0.00 H new ATOM 0 HA ARG A 99 12.002 6.391 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.156 8.621 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.769 6.939 9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.701 7.372 10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.266 6.452 9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.041 8.510 8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.383 9.488 9.598 1.00 0.00 H new ATOM 0 HE ARG A 99 15.016 8.063 11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.606 9.266 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.363 9.249 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.262 8.031 11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.295 8.553 9.982 1.00 0.00 H new ATOM 1382 N LEU A 100 9.640 6.049 6.590 1.00 0.00 N ATOM 1383 CA LEU A 100 8.280 5.851 6.118 1.00 0.00 C ATOM 1384 C LEU A 100 7.355 5.613 7.304 1.00 0.00 C ATOM 1385 O LEU A 100 7.491 4.615 8.014 1.00 0.00 O ATOM 1386 CB LEU A 100 8.215 4.673 5.148 1.00 0.00 C ATOM 1387 CG LEU A 100 7.147 4.800 4.061 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.451 5.987 3.169 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.065 3.526 3.237 1.00 0.00 C ATOM 0 H LEU A 100 10.234 5.222 6.539 1.00 0.00 H new ATOM 0 HA LEU A 100 7.956 6.747 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.188 4.559 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.029 3.762 5.716 1.00 0.00 H new ATOM 0 HG LEU A 100 6.181 4.958 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.685 6.069 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.463 6.898 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.425 5.849 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.299 3.638 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.028 3.336 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.809 2.689 3.886 1.00 0.00 H new ATOM 1400 N VAL A 101 6.428 6.535 7.526 1.00 0.00 N ATOM 1401 CA VAL A 101 5.503 6.430 8.646 1.00 0.00 C ATOM 1402 C VAL A 101 4.059 6.594 8.180 1.00 0.00 C ATOM 1403 O VAL A 101 3.772 7.372 7.268 1.00 0.00 O ATOM 1404 CB VAL A 101 5.807 7.506 9.720 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.927 7.323 10.945 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.275 7.482 10.116 1.00 0.00 C ATOM 0 H VAL A 101 6.297 7.364 6.946 1.00 0.00 H new ATOM 0 HA VAL A 101 5.633 5.438 9.079 1.00 0.00 H new ATOM 0 HB VAL A 101 5.584 8.479 9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.163 8.092 11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.879 7.407 10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.107 6.339 11.378 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.461 8.246 10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.526 6.502 10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.892 7.680 9.239 1.00 0.00 H new ATOM 1416 N PHE A 102 3.159 5.838 8.794 1.00 0.00 N ATOM 1417 CA PHE A 102 1.743 5.923 8.469 1.00 0.00 C ATOM 1418 C PHE A 102 1.121 7.107 9.201 1.00 0.00 C ATOM 1419 O PHE A 102 1.394 7.328 10.382 1.00 0.00 O ATOM 1420 CB PHE A 102 1.019 4.620 8.843 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.448 4.807 9.126 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.358 5.022 8.098 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -0.912 4.798 10.432 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.693 5.218 8.372 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.248 5.001 10.709 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.139 5.210 9.679 1.00 0.00 C ATOM 0 H PHE A 102 3.385 5.159 9.520 1.00 0.00 H new ATOM 0 HA PHE A 102 1.636 6.070 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.135 3.903 8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.498 4.187 9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.015 5.035 7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.219 4.630 11.243 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.392 5.378 7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.595 4.996 11.732 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.186 5.367 9.894 1.00 0.00 H new ATOM 1435 N GLN A 103 0.301 7.867 8.498 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.354 9.025 9.082 1.00 0.00 C ATOM 1437 C GLN A 103 -1.868 8.843 9.085 1.00 0.00 C ATOM 1438 O GLN A 103 -2.496 9.023 8.025 1.00 0.00 O ATOM 1439 CB GLN A 103 0.037 10.288 8.306 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.394 11.591 8.969 1.00 0.00 C ATOM 1441 CD GLN A 103 0.283 11.833 10.307 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.502 11.336 10.466 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 -0.288 12.465 11.197 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.430 8.529 10.158 1.00 0.00 O ATOM 0 H GLN A 103 0.072 7.703 7.518 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.026 9.131 10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.119 10.300 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.402 10.238 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.171 12.423 8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.474 11.578 9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.226 12.833 11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.177 12.620 12.091 1.00 0.00 H new TER 1451 GLN A 103