USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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: T 69 SER OG : rot 100:sc= 1.22 USER MOD Set 1.2: T 71 THR OG1 : rot 180:sc= 0.998 USER MOD Single : T 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 1 MET N :NH3+ -164:sc= -0.0122 (180deg=-0.407) USER MOD Single : T 5 TYR OH : rot 180:sc= 0 USER MOD Single : T 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 11 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : T 13 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : T 16 GLN : amide:sc= -7.85! C(o=-7.8!,f=-17!) USER MOD Single : T 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 18 ASN :FLIP amide:sc= -0.148 F(o=-4.5!,f=-0.15) USER MOD Single : T 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 SER OG : rot 180:sc= 0 USER MOD Single : T 37 SER OG : rot 180:sc= -0.0518 USER MOD Single : T 38 THR OG1 : rot 180:sc= 0 USER MOD Single : T 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 MET CE :methyl 157:sc= -0.262 (180deg=-1.24) USER MOD Single : T 47 MET CE :methyl -160:sc= -0.197 (180deg=-1.32) USER MOD Single : T 50 GLN :FLIP amide:sc= 0.0918 F(o=-2!,f=0.092) USER MOD Single : T 51 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.9!) USER MOD Single : T 53 THR OG1 : rot 180:sc= 0.17 USER MOD Single : T 58 GLN : amide:sc= -2.62! C(o=-2.6!,f=-9.1!) USER MOD Single : T 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 80 MET CE :methyl -158:sc= -0.105 (180deg=-1.21) USER MOD Single : T 81 MET CE :methyl 178:sc= -2.62 (180deg=-2.8) USER MOD Single : T 84 SER OG : rot 96:sc= 1.15 USER MOD Single : T 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET T 1 77.302 -18.745 7.831 1.00 0.00 N ATOM 2 CA MET T 1 76.019 -18.861 7.083 1.00 0.00 C ATOM 3 C MET T 1 75.869 -17.668 6.145 1.00 0.00 C ATOM 4 O MET T 1 76.059 -17.790 4.935 1.00 0.00 O ATOM 5 CB MET T 1 74.854 -18.895 8.075 1.00 0.00 C ATOM 6 CG MET T 1 75.042 -20.062 9.046 1.00 0.00 C ATOM 7 SD MET T 1 73.538 -20.281 10.028 1.00 0.00 S ATOM 8 CE MET T 1 72.696 -21.419 8.901 1.00 0.00 C ATOM 0 H1 MET T 1 77.539 -19.663 8.258 1.00 0.00 H new ATOM 0 H2 MET T 1 78.060 -18.460 7.178 1.00 0.00 H new ATOM 0 H3 MET T 1 77.204 -18.030 8.580 1.00 0.00 H new ATOM 0 HA MET T 1 76.017 -19.780 6.496 1.00 0.00 H new ATOM 0 HB2 MET T 1 74.804 -17.955 8.625 1.00 0.00 H new ATOM 0 HB3 MET T 1 73.910 -19.002 7.540 1.00 0.00 H new ATOM 0 HG2 MET T 1 75.265 -20.975 8.494 1.00 0.00 H new ATOM 0 HG3 MET T 1 75.892 -19.870 9.701 1.00 0.00 H new ATOM 0 HE1 MET T 1 71.726 -21.692 9.317 1.00 0.00 H new ATOM 0 HE2 MET T 1 72.553 -20.935 7.935 1.00 0.00 H new ATOM 0 HE3 MET T 1 73.301 -22.317 8.771 1.00 0.00 H new ATOM 20 N ASP T 2 75.527 -16.516 6.712 1.00 0.00 N ATOM 21 CA ASP T 2 75.355 -15.306 5.917 1.00 0.00 C ATOM 22 C ASP T 2 74.467 -15.581 4.707 1.00 0.00 C ATOM 23 O ASP T 2 74.694 -15.042 3.623 1.00 0.00 O ATOM 24 CB ASP T 2 76.717 -14.792 5.446 1.00 0.00 C ATOM 25 CG ASP T 2 77.529 -14.298 6.638 1.00 0.00 C ATOM 26 OD1 ASP T 2 77.099 -14.525 7.757 1.00 0.00 O ATOM 27 OD2 ASP T 2 78.569 -13.702 6.416 1.00 0.00 O ATOM 0 H ASP T 2 75.364 -16.395 7.712 1.00 0.00 H new ATOM 0 HA ASP T 2 74.877 -14.550 6.540 1.00 0.00 H new ATOM 0 HB2 ASP T 2 77.257 -15.587 4.932 1.00 0.00 H new ATOM 0 HB3 ASP T 2 76.581 -13.983 4.728 1.00 0.00 H new ATOM 32 N ASP T 3 73.458 -16.424 4.900 1.00 0.00 N ATOM 33 CA ASP T 3 72.542 -16.765 3.817 1.00 0.00 C ATOM 34 C ASP T 3 71.517 -15.655 3.609 1.00 0.00 C ATOM 35 O ASP T 3 71.270 -15.229 2.481 1.00 0.00 O ATOM 36 CB ASP T 3 71.820 -18.075 4.137 1.00 0.00 C ATOM 37 CG ASP T 3 72.835 -19.165 4.460 1.00 0.00 C ATOM 38 OD1 ASP T 3 74.020 -18.882 4.395 1.00 0.00 O ATOM 39 OD2 ASP T 3 72.413 -20.268 4.768 1.00 0.00 O ATOM 0 H ASP T 3 73.254 -16.881 5.789 1.00 0.00 H new ATOM 0 HA ASP T 3 73.122 -16.883 2.902 1.00 0.00 H new ATOM 0 HB2 ASP T 3 71.147 -17.932 4.982 1.00 0.00 H new ATOM 0 HB3 ASP T 3 71.206 -18.378 3.289 1.00 0.00 H new ATOM 44 N ILE T 4 70.921 -15.194 4.704 1.00 0.00 N ATOM 45 CA ILE T 4 69.918 -14.136 4.630 1.00 0.00 C ATOM 46 C ILE T 4 70.363 -13.019 3.687 1.00 0.00 C ATOM 47 O ILE T 4 69.552 -12.191 3.270 1.00 0.00 O ATOM 48 CB ILE T 4 69.638 -13.564 6.028 1.00 0.00 C ATOM 49 CG1 ILE T 4 70.839 -12.745 6.538 1.00 0.00 C ATOM 50 CG2 ILE T 4 69.350 -14.709 7.001 1.00 0.00 C ATOM 51 CD1 ILE T 4 72.127 -13.581 6.504 1.00 0.00 C ATOM 0 H ILE T 4 71.113 -15.533 5.647 1.00 0.00 H new ATOM 0 HA ILE T 4 69.001 -14.572 4.234 1.00 0.00 H new ATOM 0 HB ILE T 4 68.772 -12.905 5.964 1.00 0.00 H new ATOM 0 HG12 ILE T 4 70.963 -11.853 5.924 1.00 0.00 H new ATOM 0 HG13 ILE T 4 70.647 -12.406 7.556 1.00 0.00 H new ATOM 0 HG21 ILE T 4 69.151 -14.303 7.993 1.00 0.00 H new ATOM 0 HG22 ILE T 4 68.480 -15.268 6.657 1.00 0.00 H new ATOM 0 HG23 ILE T 4 70.213 -15.373 7.047 1.00 0.00 H new ATOM 0 HD11 ILE T 4 72.960 -12.980 6.869 1.00 0.00 H new ATOM 0 HD12 ILE T 4 72.008 -14.459 7.138 1.00 0.00 H new ATOM 0 HD13 ILE T 4 72.328 -13.897 5.481 1.00 0.00 H new ATOM 63 N TYR T 5 71.650 -13.000 3.352 1.00 0.00 N ATOM 64 CA TYR T 5 72.186 -11.978 2.455 1.00 0.00 C ATOM 65 C TYR T 5 72.034 -12.411 1.000 1.00 0.00 C ATOM 66 O TYR T 5 71.545 -11.653 0.164 1.00 0.00 O ATOM 67 CB TYR T 5 73.666 -11.738 2.763 1.00 0.00 C ATOM 68 CG TYR T 5 73.797 -11.003 4.077 1.00 0.00 C ATOM 69 CD1 TYR T 5 73.386 -9.668 4.174 1.00 0.00 C ATOM 70 CD2 TYR T 5 74.329 -11.653 5.198 1.00 0.00 C ATOM 71 CE1 TYR T 5 73.506 -8.984 5.390 1.00 0.00 C ATOM 72 CE2 TYR T 5 74.448 -10.970 6.414 1.00 0.00 C ATOM 73 CZ TYR T 5 74.038 -9.635 6.509 1.00 0.00 C ATOM 74 OH TYR T 5 74.155 -8.962 7.708 1.00 0.00 O ATOM 0 H TYR T 5 72.338 -13.675 3.685 1.00 0.00 H new ATOM 0 HA TYR T 5 71.627 -11.055 2.610 1.00 0.00 H new ATOM 0 HB2 TYR T 5 74.197 -12.689 2.812 1.00 0.00 H new ATOM 0 HB3 TYR T 5 74.125 -11.158 1.963 1.00 0.00 H new ATOM 0 HD1 TYR T 5 72.976 -9.165 3.310 1.00 0.00 H new ATOM 0 HD2 TYR T 5 74.648 -12.682 5.124 1.00 0.00 H new ATOM 0 HE1 TYR T 5 73.188 -7.955 5.464 1.00 0.00 H new ATOM 0 HE2 TYR T 5 74.856 -11.473 7.278 1.00 0.00 H new ATOM 0 HH TYR T 5 74.542 -9.559 8.382 1.00 0.00 H new ATOM 84 N LYS T 6 72.456 -13.638 0.707 1.00 0.00 N ATOM 85 CA LYS T 6 72.362 -14.163 -0.650 1.00 0.00 C ATOM 86 C LYS T 6 70.936 -14.037 -1.176 1.00 0.00 C ATOM 87 O LYS T 6 70.721 -13.668 -2.331 1.00 0.00 O ATOM 88 CB LYS T 6 72.789 -15.636 -0.671 1.00 0.00 C ATOM 89 CG LYS T 6 74.309 -15.755 -0.431 1.00 0.00 C ATOM 90 CD LYS T 6 75.076 -15.628 -1.764 1.00 0.00 C ATOM 91 CE LYS T 6 75.150 -16.991 -2.467 1.00 0.00 C ATOM 92 NZ LYS T 6 75.397 -16.785 -3.922 1.00 0.00 N ATOM 0 H LYS T 6 72.863 -14.282 1.385 1.00 0.00 H new ATOM 0 HA LYS T 6 73.026 -13.583 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS T 6 72.248 -16.190 0.096 1.00 0.00 H new ATOM 0 HB3 LYS T 6 72.529 -16.084 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS T 6 74.636 -14.978 0.260 1.00 0.00 H new ATOM 0 HG3 LYS T 6 74.536 -16.713 0.036 1.00 0.00 H new ATOM 0 HD2 LYS T 6 74.579 -14.904 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS T 6 76.082 -15.252 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS T 6 75.948 -17.593 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS T 6 74.220 -17.540 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS T 6 75.447 -17.707 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS T 6 74.621 -16.226 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS T 6 76.295 -16.278 -4.053 1.00 0.00 H new ATOM 106 N ALA T 7 69.966 -14.346 -0.323 1.00 0.00 N ATOM 107 CA ALA T 7 68.563 -14.265 -0.713 1.00 0.00 C ATOM 108 C ALA T 7 68.284 -12.951 -1.436 1.00 0.00 C ATOM 109 O ALA T 7 67.502 -12.906 -2.385 1.00 0.00 O ATOM 110 CB ALA T 7 67.669 -14.369 0.524 1.00 0.00 C ATOM 0 H ALA T 7 70.123 -14.653 0.637 1.00 0.00 H new ATOM 0 HA ALA T 7 68.345 -15.092 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA T 7 66.623 -14.308 0.223 1.00 0.00 H new ATOM 0 HB2 ALA T 7 67.848 -15.321 1.023 1.00 0.00 H new ATOM 0 HB3 ALA T 7 67.898 -13.552 1.208 1.00 0.00 H new ATOM 116 N ALA T 8 68.928 -11.881 -0.978 1.00 0.00 N ATOM 117 CA ALA T 8 68.742 -10.570 -1.589 1.00 0.00 C ATOM 118 C ALA T 8 69.491 -10.485 -2.915 1.00 0.00 C ATOM 119 O ALA T 8 69.075 -9.772 -3.829 1.00 0.00 O ATOM 120 CB ALA T 8 69.244 -9.477 -0.644 1.00 0.00 C ATOM 0 H ALA T 8 69.578 -11.896 -0.192 1.00 0.00 H new ATOM 0 HA ALA T 8 67.678 -10.425 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA T 8 69.101 -8.501 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA T 8 68.685 -9.519 0.291 1.00 0.00 H new ATOM 0 HB3 ALA T 8 70.304 -9.631 -0.440 1.00 0.00 H new ATOM 126 N VAL T 9 70.597 -11.215 -3.011 1.00 0.00 N ATOM 127 CA VAL T 9 71.397 -11.214 -4.231 1.00 0.00 C ATOM 128 C VAL T 9 70.614 -11.830 -5.386 1.00 0.00 C ATOM 129 O VAL T 9 70.998 -11.702 -6.547 1.00 0.00 O ATOM 130 CB VAL T 9 72.688 -12.003 -4.008 1.00 0.00 C ATOM 131 CG1 VAL T 9 73.568 -11.904 -5.256 1.00 0.00 C ATOM 132 CG2 VAL T 9 73.439 -11.422 -2.808 1.00 0.00 C ATOM 0 H VAL T 9 70.958 -11.810 -2.266 1.00 0.00 H new ATOM 0 HA VAL T 9 71.641 -10.182 -4.483 1.00 0.00 H new ATOM 0 HB VAL T 9 72.447 -13.048 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL T 9 74.488 -12.466 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL T 9 73.033 -12.316 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL T 9 73.810 -10.859 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL T 9 74.359 -11.984 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL T 9 73.681 -10.377 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL T 9 72.813 -11.491 -1.919 1.00 0.00 H new ATOM 142 N GLU T 10 69.512 -12.498 -5.056 1.00 0.00 N ATOM 143 CA GLU T 10 68.681 -13.131 -6.074 1.00 0.00 C ATOM 144 C GLU T 10 67.791 -12.097 -6.756 1.00 0.00 C ATOM 145 O GLU T 10 67.413 -12.258 -7.917 1.00 0.00 O ATOM 146 CB GLU T 10 67.809 -14.215 -5.437 1.00 0.00 C ATOM 147 CG GLU T 10 68.700 -15.341 -4.906 1.00 0.00 C ATOM 148 CD GLU T 10 69.237 -16.170 -6.068 1.00 0.00 C ATOM 149 OE1 GLU T 10 68.468 -16.462 -6.968 1.00 0.00 O ATOM 150 OE2 GLU T 10 70.412 -16.500 -6.039 1.00 0.00 O ATOM 0 H GLU T 10 69.176 -12.614 -4.100 1.00 0.00 H new ATOM 0 HA GLU T 10 69.334 -13.583 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU T 10 67.218 -13.791 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU T 10 67.106 -14.609 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU T 10 69.528 -14.922 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU T 10 68.132 -15.976 -4.227 1.00 0.00 H new ATOM 157 N GLN T 11 67.460 -11.035 -6.028 1.00 0.00 N ATOM 158 CA GLN T 11 66.615 -9.980 -6.574 1.00 0.00 C ATOM 159 C GLN T 11 67.416 -9.084 -7.512 1.00 0.00 C ATOM 160 O GLN T 11 66.856 -8.431 -8.392 1.00 0.00 O ATOM 161 CB GLN T 11 66.028 -9.140 -5.438 1.00 0.00 C ATOM 162 CG GLN T 11 65.332 -10.058 -4.431 1.00 0.00 C ATOM 163 CD GLN T 11 64.505 -9.228 -3.455 1.00 0.00 C ATOM 164 OE1 GLN T 11 63.563 -8.546 -3.861 1.00 0.00 O ATOM 165 NE2 GLN T 11 64.803 -9.244 -2.185 1.00 0.00 N ATOM 0 H GLN T 11 67.762 -10.883 -5.066 1.00 0.00 H new ATOM 0 HA GLN T 11 65.805 -10.444 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN T 11 66.818 -8.574 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN T 11 65.318 -8.415 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN T 11 64.689 -10.766 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN T 11 66.073 -10.643 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN T 11 65.584 -9.810 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN T 11 64.255 -8.691 -1.526 1.00 0.00 H new ATOM 174 N LEU T 12 68.731 -9.057 -7.317 1.00 0.00 N ATOM 175 CA LEU T 12 69.601 -8.237 -8.151 1.00 0.00 C ATOM 176 C LEU T 12 69.830 -8.905 -9.504 1.00 0.00 C ATOM 177 O LEU T 12 70.453 -9.963 -9.588 1.00 0.00 O ATOM 178 CB LEU T 12 70.943 -8.018 -7.450 1.00 0.00 C ATOM 179 CG LEU T 12 70.708 -7.736 -5.964 1.00 0.00 C ATOM 180 CD1 LEU T 12 72.046 -7.438 -5.283 1.00 0.00 C ATOM 181 CD2 LEU T 12 69.777 -6.528 -5.813 1.00 0.00 C ATOM 0 H LEU T 12 69.214 -9.590 -6.594 1.00 0.00 H new ATOM 0 HA LEU T 12 69.117 -7.274 -8.313 1.00 0.00 H new ATOM 0 HB2 LEU T 12 71.574 -8.899 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU T 12 71.472 -7.183 -7.909 1.00 0.00 H new ATOM 0 HG LEU T 12 70.249 -8.608 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU T 12 71.879 -7.237 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU T 12 72.708 -8.298 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU T 12 72.506 -6.567 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU T 12 69.610 -6.327 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU T 12 70.234 -5.656 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU T 12 68.824 -6.741 -6.297 1.00 0.00 H new ATOM 193 N THR T 13 69.321 -8.279 -10.561 1.00 0.00 N ATOM 194 CA THR T 13 69.475 -8.821 -11.905 1.00 0.00 C ATOM 195 C THR T 13 70.956 -8.928 -12.270 1.00 0.00 C ATOM 196 O THR T 13 71.749 -9.493 -11.516 1.00 0.00 O ATOM 197 CB THR T 13 68.746 -7.923 -12.913 1.00 0.00 C ATOM 198 OG1 THR T 13 67.504 -7.511 -12.358 1.00 0.00 O ATOM 199 CG2 THR T 13 68.491 -8.690 -14.215 1.00 0.00 C ATOM 0 H THR T 13 68.802 -7.402 -10.513 1.00 0.00 H new ATOM 0 HA THR T 13 69.039 -9.819 -11.935 1.00 0.00 H new ATOM 0 HB THR T 13 69.364 -7.052 -13.130 1.00 0.00 H new ATOM 0 HG1 THR T 13 67.035 -6.935 -12.997 1.00 0.00 H new ATOM 0 HG21 THR T 13 67.973 -8.043 -14.923 1.00 0.00 H new ATOM 0 HG22 THR T 13 69.442 -9.008 -14.642 1.00 0.00 H new ATOM 0 HG23 THR T 13 67.876 -9.566 -14.007 1.00 0.00 H new ATOM 207 N GLU T 14 71.326 -8.382 -13.429 1.00 0.00 N ATOM 208 CA GLU T 14 72.715 -8.419 -13.889 1.00 0.00 C ATOM 209 C GLU T 14 73.114 -7.068 -14.474 1.00 0.00 C ATOM 210 O GLU T 14 74.297 -6.790 -14.671 1.00 0.00 O ATOM 211 CB GLU T 14 72.885 -9.507 -14.951 1.00 0.00 C ATOM 212 CG GLU T 14 72.840 -10.883 -14.285 1.00 0.00 C ATOM 213 CD GLU T 14 73.064 -11.974 -15.327 1.00 0.00 C ATOM 214 OE1 GLU T 14 72.096 -12.377 -15.952 1.00 0.00 O ATOM 215 OE2 GLU T 14 74.200 -12.390 -15.485 1.00 0.00 O ATOM 0 H GLU T 14 70.684 -7.909 -14.066 1.00 0.00 H new ATOM 0 HA GLU T 14 73.358 -8.642 -13.037 1.00 0.00 H new ATOM 0 HB2 GLU T 14 72.095 -9.427 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU T 14 73.833 -9.375 -15.473 1.00 0.00 H new ATOM 0 HG2 GLU T 14 73.604 -10.946 -13.510 1.00 0.00 H new ATOM 0 HG3 GLU T 14 71.877 -11.028 -13.796 1.00 0.00 H new ATOM 222 N GLU T 15 72.117 -6.232 -14.747 1.00 0.00 N ATOM 223 CA GLU T 15 72.373 -4.911 -15.308 1.00 0.00 C ATOM 224 C GLU T 15 72.806 -3.942 -14.211 1.00 0.00 C ATOM 225 O GLU T 15 73.547 -2.993 -14.465 1.00 0.00 O ATOM 226 CB GLU T 15 71.110 -4.380 -15.990 1.00 0.00 C ATOM 227 CG GLU T 15 70.611 -5.408 -17.008 1.00 0.00 C ATOM 228 CD GLU T 15 69.365 -4.881 -17.711 1.00 0.00 C ATOM 229 OE1 GLU T 15 68.343 -4.763 -17.055 1.00 0.00 O ATOM 230 OE2 GLU T 15 69.450 -4.602 -18.896 1.00 0.00 O ATOM 0 H GLU T 15 71.132 -6.444 -14.590 1.00 0.00 H new ATOM 0 HA GLU T 15 73.174 -4.995 -16.043 1.00 0.00 H new ATOM 0 HB2 GLU T 15 70.337 -4.183 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU T 15 71.322 -3.433 -16.487 1.00 0.00 H new ATOM 0 HG2 GLU T 15 71.391 -5.616 -17.740 1.00 0.00 H new ATOM 0 HG3 GLU T 15 70.385 -6.349 -16.507 1.00 0.00 H new ATOM 237 N GLN T 16 72.339 -4.191 -12.991 1.00 0.00 N ATOM 238 CA GLN T 16 72.683 -3.336 -11.860 1.00 0.00 C ATOM 239 C GLN T 16 74.053 -3.712 -11.303 1.00 0.00 C ATOM 240 O GLN T 16 74.615 -2.995 -10.474 1.00 0.00 O ATOM 241 CB GLN T 16 71.621 -3.469 -10.762 1.00 0.00 C ATOM 242 CG GLN T 16 71.607 -4.903 -10.212 1.00 0.00 C ATOM 243 CD GLN T 16 72.706 -5.083 -9.168 1.00 0.00 C ATOM 244 OE1 GLN T 16 73.781 -5.595 -9.480 1.00 0.00 O ATOM 245 NE2 GLN T 16 72.498 -4.692 -7.941 1.00 0.00 N ATOM 0 H GLN T 16 71.725 -4.973 -12.761 1.00 0.00 H new ATOM 0 HA GLN T 16 72.717 -2.302 -12.204 1.00 0.00 H new ATOM 0 HB2 GLN T 16 71.829 -2.764 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN T 16 70.639 -3.215 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN T 16 70.635 -5.119 -9.768 1.00 0.00 H new ATOM 0 HG3 GLN T 16 71.750 -5.613 -11.026 1.00 0.00 H new ATOM 0 HE21 GLN T 16 71.606 -4.268 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN T 16 73.227 -4.810 -7.238 1.00 0.00 H new ATOM 254 N LYS T 17 74.587 -4.837 -11.767 1.00 0.00 N ATOM 255 CA LYS T 17 75.894 -5.296 -11.310 1.00 0.00 C ATOM 256 C LYS T 17 77.004 -4.504 -11.994 1.00 0.00 C ATOM 257 O LYS T 17 77.941 -4.040 -11.344 1.00 0.00 O ATOM 258 CB LYS T 17 76.065 -6.786 -11.619 1.00 0.00 C ATOM 259 CG LYS T 17 75.170 -7.611 -10.691 1.00 0.00 C ATOM 260 CD LYS T 17 75.470 -9.098 -10.882 1.00 0.00 C ATOM 261 CE LYS T 17 74.574 -9.925 -9.957 1.00 0.00 C ATOM 262 NZ LYS T 17 74.599 -11.352 -10.386 1.00 0.00 N ATOM 0 H LYS T 17 74.139 -5.444 -12.454 1.00 0.00 H new ATOM 0 HA LYS T 17 75.957 -5.140 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS T 17 75.807 -6.984 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS T 17 77.107 -7.077 -11.488 1.00 0.00 H new ATOM 0 HG2 LYS T 17 75.342 -7.325 -9.653 1.00 0.00 H new ATOM 0 HG3 LYS T 17 74.121 -7.410 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS T 17 75.300 -9.383 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS T 17 76.519 -9.299 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS T 17 74.918 -9.838 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS T 17 73.553 -9.544 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS T 17 73.990 -11.914 -9.758 1.00 0.00 H new ATOM 0 HZ2 LYS T 17 74.251 -11.427 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS T 17 75.573 -11.712 -10.337 1.00 0.00 H new ATOM 276 N ASN T 18 76.892 -4.353 -13.310 1.00 0.00 N ATOM 277 CA ASN T 18 77.890 -3.613 -14.072 1.00 0.00 C ATOM 278 C ASN T 18 78.082 -2.217 -13.490 1.00 0.00 C ATOM 279 O ASN T 18 79.174 -1.653 -13.551 1.00 0.00 O ATOM 280 CB ASN T 18 77.456 -3.504 -15.534 1.00 0.00 C ATOM 281 CG ASN T 18 77.387 -4.892 -16.165 1.00 0.00 C ATOM 282 OD1 ASN T 18 76.702 -5.832 -15.576 1.00 0.00 O flip ATOM 283 ND2 ASN T 18 77.974 -5.123 -17.221 1.00 0.00 N flip ATOM 0 H ASN T 18 76.126 -4.731 -13.867 1.00 0.00 H new ATOM 0 HA ASN T 18 78.836 -4.151 -14.014 1.00 0.00 H new ATOM 0 HB2 ASN T 18 76.482 -3.018 -15.597 1.00 0.00 H new ATOM 0 HB3 ASN T 18 78.160 -2.880 -16.085 1.00 0.00 H new ATOM 0 HD21 ASN T 18 78.509 -4.385 -17.679 1.00 0.00 H new ATOM 0 HD22 ASN T 18 77.926 -6.052 -17.639 1.00 0.00 H new ATOM 290 N GLU T 19 77.012 -1.665 -12.927 1.00 0.00 N ATOM 291 CA GLU T 19 77.073 -0.334 -12.336 1.00 0.00 C ATOM 292 C GLU T 19 78.108 -0.292 -11.215 1.00 0.00 C ATOM 293 O GLU T 19 78.911 0.636 -11.134 1.00 0.00 O ATOM 294 CB GLU T 19 75.701 0.055 -11.782 1.00 0.00 C ATOM 295 CG GLU T 19 74.741 0.328 -12.941 1.00 0.00 C ATOM 296 CD GLU T 19 75.076 1.666 -13.591 1.00 0.00 C ATOM 297 OE1 GLU T 19 74.609 2.678 -13.094 1.00 0.00 O ATOM 298 OE2 GLU T 19 75.794 1.660 -14.578 1.00 0.00 O ATOM 0 H GLU T 19 76.099 -2.115 -12.868 1.00 0.00 H new ATOM 0 HA GLU T 19 77.365 0.374 -13.111 1.00 0.00 H new ATOM 0 HB2 GLU T 19 75.311 -0.745 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU T 19 75.789 0.940 -11.153 1.00 0.00 H new ATOM 0 HG2 GLU T 19 74.811 -0.472 -13.678 1.00 0.00 H new ATOM 0 HG3 GLU T 19 73.713 0.338 -12.578 1.00 0.00 H new ATOM 305 N PHE T 20 78.080 -1.303 -10.354 1.00 0.00 N ATOM 306 CA PHE T 20 79.021 -1.371 -9.241 1.00 0.00 C ATOM 307 C PHE T 20 80.414 -1.742 -9.739 1.00 0.00 C ATOM 308 O PHE T 20 81.379 -1.012 -9.512 1.00 0.00 O ATOM 309 CB PHE T 20 78.550 -2.407 -8.220 1.00 0.00 C ATOM 310 CG PHE T 20 77.267 -1.932 -7.574 1.00 0.00 C ATOM 311 CD1 PHE T 20 77.299 -0.881 -6.649 1.00 0.00 C ATOM 312 CD2 PHE T 20 76.048 -2.539 -7.902 1.00 0.00 C ATOM 313 CE1 PHE T 20 76.113 -0.439 -6.051 1.00 0.00 C ATOM 314 CE2 PHE T 20 74.862 -2.097 -7.303 1.00 0.00 C ATOM 315 CZ PHE T 20 74.895 -1.047 -6.378 1.00 0.00 C ATOM 0 H PHE T 20 77.422 -2.081 -10.404 1.00 0.00 H new ATOM 0 HA PHE T 20 79.065 -0.390 -8.768 1.00 0.00 H new ATOM 0 HB2 PHE T 20 78.389 -3.368 -8.709 1.00 0.00 H new ATOM 0 HB3 PHE T 20 79.317 -2.560 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE T 20 78.238 -0.412 -6.397 1.00 0.00 H new ATOM 0 HD2 PHE T 20 76.023 -3.348 -8.617 1.00 0.00 H new ATOM 0 HE1 PHE T 20 76.138 0.371 -5.337 1.00 0.00 H new ATOM 0 HE2 PHE T 20 73.922 -2.566 -7.555 1.00 0.00 H new ATOM 0 HZ PHE T 20 73.980 -0.706 -5.916 1.00 0.00 H new ATOM 325 N LYS T 21 80.512 -2.882 -10.416 1.00 0.00 N ATOM 326 CA LYS T 21 81.794 -3.341 -10.941 1.00 0.00 C ATOM 327 C LYS T 21 82.542 -2.196 -11.617 1.00 0.00 C ATOM 328 O LYS T 21 83.773 -2.167 -11.627 1.00 0.00 O ATOM 329 CB LYS T 21 81.570 -4.471 -11.948 1.00 0.00 C ATOM 330 CG LYS T 21 80.939 -5.673 -11.239 1.00 0.00 C ATOM 331 CD LYS T 21 81.044 -6.911 -12.133 1.00 0.00 C ATOM 332 CE LYS T 21 80.209 -6.706 -13.400 1.00 0.00 C ATOM 333 NZ LYS T 21 79.994 -8.020 -14.070 1.00 0.00 N ATOM 0 H LYS T 21 79.726 -3.501 -10.613 1.00 0.00 H new ATOM 0 HA LYS T 21 82.394 -3.708 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS T 21 80.921 -4.130 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS T 21 82.518 -4.760 -12.402 1.00 0.00 H new ATOM 0 HG2 LYS T 21 81.443 -5.854 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS T 21 79.894 -5.465 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS T 21 82.086 -7.093 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS T 21 80.694 -7.791 -11.594 1.00 0.00 H new ATOM 0 HE2 LYS T 21 79.250 -6.253 -13.147 1.00 0.00 H new ATOM 0 HE3 LYS T 21 80.718 -6.019 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS T 21 79.427 -7.882 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS T 21 80.913 -8.435 -14.324 1.00 0.00 H new ATOM 0 HZ3 LYS T 21 79.492 -8.661 -13.424 1.00 0.00 H new ATOM 347 N ALA T 22 81.792 -1.254 -12.180 1.00 0.00 N ATOM 348 CA ALA T 22 82.398 -0.112 -12.855 1.00 0.00 C ATOM 349 C ALA T 22 83.124 0.778 -11.851 1.00 0.00 C ATOM 350 O ALA T 22 84.143 1.389 -12.173 1.00 0.00 O ATOM 351 CB ALA T 22 81.320 0.701 -13.575 1.00 0.00 C ATOM 0 H ALA T 22 80.772 -1.258 -12.183 1.00 0.00 H new ATOM 0 HA ALA T 22 83.119 -0.483 -13.583 1.00 0.00 H new ATOM 0 HB1 ALA T 22 81.780 1.552 -14.077 1.00 0.00 H new ATOM 0 HB2 ALA T 22 80.821 0.072 -14.312 1.00 0.00 H new ATOM 0 HB3 ALA T 22 80.589 1.059 -12.850 1.00 0.00 H new ATOM 357 N ALA T 23 82.594 0.844 -10.634 1.00 0.00 N ATOM 358 CA ALA T 23 83.203 1.663 -9.592 1.00 0.00 C ATOM 359 C ALA T 23 84.560 1.096 -9.188 1.00 0.00 C ATOM 360 O ALA T 23 85.550 1.823 -9.115 1.00 0.00 O ATOM 361 CB ALA T 23 82.285 1.719 -8.370 1.00 0.00 C ATOM 0 H ALA T 23 81.752 0.345 -10.347 1.00 0.00 H new ATOM 0 HA ALA T 23 83.347 2.670 -9.984 1.00 0.00 H new ATOM 0 HB1 ALA T 23 82.746 2.332 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA T 23 81.327 2.154 -8.654 1.00 0.00 H new ATOM 0 HB3 ALA T 23 82.127 0.711 -7.987 1.00 0.00 H new ATOM 367 N PHE T 24 84.599 -0.208 -8.927 1.00 0.00 N ATOM 368 CA PHE T 24 85.844 -0.861 -8.532 1.00 0.00 C ATOM 369 C PHE T 24 86.992 -0.408 -9.430 1.00 0.00 C ATOM 370 O PHE T 24 88.042 0.013 -8.946 1.00 0.00 O ATOM 371 CB PHE T 24 85.691 -2.383 -8.622 1.00 0.00 C ATOM 372 CG PHE T 24 84.852 -2.882 -7.467 1.00 0.00 C ATOM 373 CD1 PHE T 24 83.460 -2.749 -7.504 1.00 0.00 C ATOM 374 CD2 PHE T 24 85.468 -3.478 -6.359 1.00 0.00 C ATOM 375 CE1 PHE T 24 82.682 -3.209 -6.436 1.00 0.00 C ATOM 376 CE2 PHE T 24 84.691 -3.938 -5.290 1.00 0.00 C ATOM 377 CZ PHE T 24 83.298 -3.805 -5.328 1.00 0.00 C ATOM 0 H PHE T 24 83.791 -0.828 -8.981 1.00 0.00 H new ATOM 0 HA PHE T 24 86.069 -0.581 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE T 24 85.223 -2.655 -9.568 1.00 0.00 H new ATOM 0 HB3 PHE T 24 86.672 -2.858 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE T 24 82.985 -2.290 -8.359 1.00 0.00 H new ATOM 0 HD2 PHE T 24 86.543 -3.582 -6.330 1.00 0.00 H new ATOM 0 HE1 PHE T 24 81.607 -3.105 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE T 24 85.166 -4.396 -4.435 1.00 0.00 H new ATOM 0 HZ PHE T 24 82.699 -4.162 -4.504 1.00 0.00 H new ATOM 387 N ASP T 25 86.783 -0.496 -10.739 1.00 0.00 N ATOM 388 CA ASP T 25 87.807 -0.090 -11.694 1.00 0.00 C ATOM 389 C ASP T 25 88.384 1.268 -11.311 1.00 0.00 C ATOM 390 O ASP T 25 89.567 1.535 -11.524 1.00 0.00 O ATOM 391 CB ASP T 25 87.211 -0.016 -13.102 1.00 0.00 C ATOM 392 CG ASP T 25 86.574 -1.352 -13.468 1.00 0.00 C ATOM 393 OD1 ASP T 25 86.914 -2.341 -12.840 1.00 0.00 O ATOM 394 OD2 ASP T 25 85.755 -1.367 -14.372 1.00 0.00 O ATOM 0 H ASP T 25 85.921 -0.842 -11.160 1.00 0.00 H new ATOM 0 HA ASP T 25 88.607 -0.831 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP T 25 86.465 0.777 -13.149 1.00 0.00 H new ATOM 0 HB3 ASP T 25 87.989 0.235 -13.823 1.00 0.00 H new ATOM 399 N ILE T 26 87.540 2.124 -10.743 1.00 0.00 N ATOM 400 CA ILE T 26 87.977 3.454 -10.331 1.00 0.00 C ATOM 401 C ILE T 26 88.827 3.371 -9.067 1.00 0.00 C ATOM 402 O ILE T 26 89.828 4.074 -8.934 1.00 0.00 O ATOM 403 CB ILE T 26 86.761 4.347 -10.074 1.00 0.00 C ATOM 404 CG1 ILE T 26 85.739 4.168 -11.204 1.00 0.00 C ATOM 405 CG2 ILE T 26 87.203 5.811 -10.010 1.00 0.00 C ATOM 406 CD1 ILE T 26 86.423 4.338 -12.564 1.00 0.00 C ATOM 0 H ILE T 26 86.557 1.923 -10.558 1.00 0.00 H new ATOM 0 HA ILE T 26 88.579 3.883 -11.132 1.00 0.00 H new ATOM 0 HB ILE T 26 86.303 4.065 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE T 26 85.282 3.180 -11.139 1.00 0.00 H new ATOM 0 HG13 ILE T 26 84.936 4.898 -11.098 1.00 0.00 H new ATOM 0 HG21 ILE T 26 86.336 6.445 -9.827 1.00 0.00 H new ATOM 0 HG22 ILE T 26 87.923 5.939 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE T 26 87.666 6.093 -10.956 1.00 0.00 H new ATOM 0 HD11 ILE T 26 85.689 4.209 -13.359 1.00 0.00 H new ATOM 0 HD12 ILE T 26 86.858 5.335 -12.630 1.00 0.00 H new ATOM 0 HD13 ILE T 26 87.209 3.591 -12.672 1.00 0.00 H new ATOM 418 N PHE T 27 88.424 2.505 -8.143 1.00 0.00 N ATOM 419 CA PHE T 27 89.161 2.337 -6.895 1.00 0.00 C ATOM 420 C PHE T 27 90.496 1.644 -7.158 1.00 0.00 C ATOM 421 O PHE T 27 91.560 2.219 -6.932 1.00 0.00 O ATOM 422 CB PHE T 27 88.337 1.504 -5.907 1.00 0.00 C ATOM 423 CG PHE T 27 87.209 2.341 -5.351 1.00 0.00 C ATOM 424 CD1 PHE T 27 87.440 3.192 -4.264 1.00 0.00 C ATOM 425 CD2 PHE T 27 85.932 2.265 -5.920 1.00 0.00 C ATOM 426 CE1 PHE T 27 86.395 3.967 -3.746 1.00 0.00 C ATOM 427 CE2 PHE T 27 84.887 3.040 -5.403 1.00 0.00 C ATOM 428 CZ PHE T 27 85.119 3.890 -4.316 1.00 0.00 C ATOM 0 H PHE T 27 87.598 1.913 -8.233 1.00 0.00 H new ATOM 0 HA PHE T 27 89.349 3.322 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE T 27 87.936 0.622 -6.406 1.00 0.00 H new ATOM 0 HB3 PHE T 27 88.973 1.150 -5.096 1.00 0.00 H new ATOM 0 HD1 PHE T 27 88.425 3.251 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE T 27 85.753 1.608 -6.758 1.00 0.00 H new ATOM 0 HE1 PHE T 27 86.574 4.624 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE T 27 83.902 2.982 -5.843 1.00 0.00 H new ATOM 0 HZ PHE T 27 84.313 4.487 -3.916 1.00 0.00 H new ATOM 438 N VAL T 28 90.426 0.405 -7.636 1.00 0.00 N ATOM 439 CA VAL T 28 91.631 -0.369 -7.931 1.00 0.00 C ATOM 440 C VAL T 28 92.121 -0.082 -9.347 1.00 0.00 C ATOM 441 O VAL T 28 92.250 -0.992 -10.166 1.00 0.00 O ATOM 442 CB VAL T 28 91.332 -1.862 -7.785 1.00 0.00 C ATOM 443 CG1 VAL T 28 91.120 -2.199 -6.308 1.00 0.00 C ATOM 444 CG2 VAL T 28 90.064 -2.206 -8.572 1.00 0.00 C ATOM 0 H VAL T 28 89.552 -0.084 -7.827 1.00 0.00 H new ATOM 0 HA VAL T 28 92.411 -0.080 -7.226 1.00 0.00 H new ATOM 0 HB VAL T 28 92.171 -2.440 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL T 28 90.907 -3.263 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL T 28 92.021 -1.953 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL T 28 90.281 -1.622 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL T 28 89.849 -3.270 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL T 28 89.226 -1.627 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL T 28 90.213 -1.966 -9.625 1.00 0.00 H new ATOM 454 N LEU T 29 92.390 1.188 -9.631 1.00 0.00 N ATOM 455 CA LEU T 29 92.863 1.582 -10.956 1.00 0.00 C ATOM 456 C LEU T 29 94.343 1.240 -11.125 1.00 0.00 C ATOM 457 O LEU T 29 94.982 1.670 -12.086 1.00 0.00 O ATOM 458 CB LEU T 29 92.638 3.089 -11.180 1.00 0.00 C ATOM 459 CG LEU T 29 92.885 3.866 -9.880 1.00 0.00 C ATOM 460 CD1 LEU T 29 94.265 3.519 -9.314 1.00 0.00 C ATOM 461 CD2 LEU T 29 92.821 5.367 -10.172 1.00 0.00 C ATOM 0 H LEU T 29 92.290 1.957 -8.969 1.00 0.00 H new ATOM 0 HA LEU T 29 92.293 1.027 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU T 29 93.307 3.451 -11.960 1.00 0.00 H new ATOM 0 HB3 LEU T 29 91.620 3.263 -11.527 1.00 0.00 H new ATOM 0 HG LEU T 29 92.122 3.595 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU T 29 94.430 4.076 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU T 29 94.315 2.450 -9.107 1.00 0.00 H new ATOM 0 HD13 LEU T 29 95.033 3.784 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU T 29 92.996 5.924 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU T 29 93.584 5.628 -10.905 1.00 0.00 H new ATOM 0 HD23 LEU T 29 91.837 5.619 -10.568 1.00 0.00 H new ATOM 473 N GLY T 30 94.882 0.467 -10.186 1.00 0.00 N ATOM 474 CA GLY T 30 96.286 0.080 -10.250 1.00 0.00 C ATOM 475 C GLY T 30 96.687 -0.732 -9.022 1.00 0.00 C ATOM 476 O GLY T 30 97.866 -0.807 -8.675 1.00 0.00 O ATOM 0 H GLY T 30 94.374 0.100 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY T 30 96.464 -0.506 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY T 30 96.910 0.971 -10.320 1.00 0.00 H new ATOM 480 N ALA T 31 95.701 -1.338 -8.370 1.00 0.00 N ATOM 481 CA ALA T 31 95.965 -2.143 -7.183 1.00 0.00 C ATOM 482 C ALA T 31 96.485 -3.522 -7.575 1.00 0.00 C ATOM 483 O ALA T 31 96.155 -4.040 -8.642 1.00 0.00 O ATOM 484 CB ALA T 31 94.685 -2.293 -6.359 1.00 0.00 C ATOM 0 H ALA T 31 94.719 -1.288 -8.640 1.00 0.00 H new ATOM 0 HA ALA T 31 96.724 -1.638 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA T 31 94.890 -2.896 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA T 31 94.332 -1.308 -6.053 1.00 0.00 H new ATOM 0 HB3 ALA T 31 93.920 -2.782 -6.961 1.00 0.00 H new ATOM 490 N GLU T 32 97.300 -4.111 -6.707 1.00 0.00 N ATOM 491 CA GLU T 32 97.861 -5.431 -6.974 1.00 0.00 C ATOM 492 C GLU T 32 96.753 -6.426 -7.305 1.00 0.00 C ATOM 493 O GLU T 32 96.464 -6.681 -8.474 1.00 0.00 O ATOM 494 CB GLU T 32 98.644 -5.922 -5.754 1.00 0.00 C ATOM 495 CG GLU T 32 99.862 -5.022 -5.533 1.00 0.00 C ATOM 496 CD GLU T 32 100.561 -5.400 -4.233 1.00 0.00 C ATOM 497 OE1 GLU T 32 100.063 -5.026 -3.184 1.00 0.00 O ATOM 498 OE2 GLU T 32 101.584 -6.060 -4.304 1.00 0.00 O ATOM 0 H GLU T 32 97.586 -3.699 -5.819 1.00 0.00 H new ATOM 0 HA GLU T 32 98.533 -5.355 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU T 32 98.006 -5.911 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU T 32 98.963 -6.953 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU T 32 100.554 -5.121 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU T 32 99.551 -3.978 -5.498 1.00 0.00 H new ATOM 505 N ASP T 33 96.138 -6.987 -6.268 1.00 0.00 N ATOM 506 CA ASP T 33 95.064 -7.954 -6.461 1.00 0.00 C ATOM 507 C ASP T 33 93.768 -7.246 -6.841 1.00 0.00 C ATOM 508 O ASP T 33 93.281 -7.383 -7.964 1.00 0.00 O ATOM 509 CB ASP T 33 94.851 -8.761 -5.178 1.00 0.00 C ATOM 510 CG ASP T 33 94.772 -7.821 -3.979 1.00 0.00 C ATOM 511 OD1 ASP T 33 95.728 -7.098 -3.753 1.00 0.00 O ATOM 512 OD2 ASP T 33 93.756 -7.841 -3.303 1.00 0.00 O ATOM 0 H ASP T 33 96.363 -6.790 -5.293 1.00 0.00 H new ATOM 0 HA ASP T 33 95.347 -8.627 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP T 33 93.934 -9.345 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP T 33 95.669 -9.468 -5.043 1.00 0.00 H new ATOM 517 N GLY T 34 93.212 -6.491 -5.899 1.00 0.00 N ATOM 518 CA GLY T 34 91.972 -5.766 -6.148 1.00 0.00 C ATOM 519 C GLY T 34 91.355 -5.280 -4.841 1.00 0.00 C ATOM 520 O GLY T 34 90.138 -5.121 -4.740 1.00 0.00 O ATOM 0 H GLY T 34 93.597 -6.366 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY T 34 92.168 -4.915 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY T 34 91.266 -6.412 -6.670 1.00 0.00 H new ATOM 524 N SER T 35 92.203 -5.044 -3.844 1.00 0.00 N ATOM 525 CA SER T 35 91.735 -4.573 -2.542 1.00 0.00 C ATOM 526 C SER T 35 91.616 -3.053 -2.535 1.00 0.00 C ATOM 527 O SER T 35 92.085 -2.380 -3.453 1.00 0.00 O ATOM 528 CB SER T 35 92.709 -5.013 -1.450 1.00 0.00 C ATOM 529 OG SER T 35 94.009 -4.526 -1.755 1.00 0.00 O ATOM 0 H SER T 35 93.213 -5.170 -3.911 1.00 0.00 H new ATOM 0 HA SER T 35 90.753 -5.005 -2.350 1.00 0.00 H new ATOM 0 HB2 SER T 35 92.384 -4.632 -0.482 1.00 0.00 H new ATOM 0 HB3 SER T 35 92.724 -6.100 -1.377 1.00 0.00 H new ATOM 0 HG SER T 35 94.636 -4.805 -1.055 1.00 0.00 H new ATOM 535 N ILE T 36 90.985 -2.516 -1.491 1.00 0.00 N ATOM 536 CA ILE T 36 90.804 -1.067 -1.362 1.00 0.00 C ATOM 537 C ILE T 36 91.197 -0.607 0.037 1.00 0.00 C ATOM 538 O ILE T 36 91.152 -1.383 0.992 1.00 0.00 O ATOM 539 CB ILE T 36 89.342 -0.700 -1.627 1.00 0.00 C ATOM 540 CG1 ILE T 36 88.921 -1.244 -2.994 1.00 0.00 C ATOM 541 CG2 ILE T 36 89.188 0.821 -1.614 1.00 0.00 C ATOM 542 CD1 ILE T 36 87.411 -1.069 -3.173 1.00 0.00 C ATOM 0 H ILE T 36 90.591 -3.060 -0.723 1.00 0.00 H new ATOM 0 HA ILE T 36 91.442 -0.570 -2.092 1.00 0.00 H new ATOM 0 HB ILE T 36 88.711 -1.135 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE T 36 89.455 -0.718 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE T 36 89.187 -2.298 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE T 36 88.147 1.083 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE T 36 89.489 1.209 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE T 36 89.818 1.257 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE T 36 87.113 -1.457 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE T 36 86.886 -1.615 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE T 36 87.157 -0.011 -3.111 1.00 0.00 H new ATOM 554 N SER T 37 91.584 0.660 0.152 1.00 0.00 N ATOM 555 CA SER T 37 91.983 1.213 1.441 1.00 0.00 C ATOM 556 C SER T 37 91.900 2.735 1.419 1.00 0.00 C ATOM 557 O SER T 37 91.717 3.341 0.363 1.00 0.00 O ATOM 558 CB SER T 37 93.412 0.781 1.773 1.00 0.00 C ATOM 559 OG SER T 37 93.677 1.048 3.144 1.00 0.00 O ATOM 0 H SER T 37 91.630 1.318 -0.626 1.00 0.00 H new ATOM 0 HA SER T 37 91.303 0.835 2.205 1.00 0.00 H new ATOM 0 HB2 SER T 37 93.540 -0.281 1.566 1.00 0.00 H new ATOM 0 HB3 SER T 37 94.122 1.316 1.143 1.00 0.00 H new ATOM 0 HG SER T 37 94.592 0.771 3.360 1.00 0.00 H new ATOM 565 N THR T 38 92.037 3.346 2.591 1.00 0.00 N ATOM 566 CA THR T 38 91.975 4.801 2.700 1.00 0.00 C ATOM 567 C THR T 38 92.818 5.465 1.615 1.00 0.00 C ATOM 568 O THR T 38 92.699 6.665 1.371 1.00 0.00 O ATOM 569 CB THR T 38 92.474 5.242 4.078 1.00 0.00 C ATOM 570 OG1 THR T 38 93.894 5.262 4.080 1.00 0.00 O ATOM 571 CG2 THR T 38 91.974 4.264 5.142 1.00 0.00 C ATOM 0 H THR T 38 92.191 2.861 3.475 1.00 0.00 H new ATOM 0 HA THR T 38 90.937 5.109 2.571 1.00 0.00 H new ATOM 0 HB THR T 38 92.095 6.240 4.300 1.00 0.00 H new ATOM 0 HG1 THR T 38 94.216 5.546 4.961 1.00 0.00 H new ATOM 0 HG21 THR T 38 92.330 4.580 6.123 1.00 0.00 H new ATOM 0 HG22 THR T 38 90.884 4.249 5.139 1.00 0.00 H new ATOM 0 HG23 THR T 38 92.351 3.265 4.923 1.00 0.00 H new ATOM 579 N LYS T 39 93.673 4.679 0.967 1.00 0.00 N ATOM 580 CA LYS T 39 94.530 5.206 -0.087 1.00 0.00 C ATOM 581 C LYS T 39 93.728 5.462 -1.360 1.00 0.00 C ATOM 582 O LYS T 39 93.694 6.582 -1.869 1.00 0.00 O ATOM 583 CB LYS T 39 95.659 4.217 -0.387 1.00 0.00 C ATOM 584 CG LYS T 39 96.559 4.079 0.844 1.00 0.00 C ATOM 585 CD LYS T 39 97.840 3.336 0.459 1.00 0.00 C ATOM 586 CE LYS T 39 98.767 3.254 1.673 1.00 0.00 C ATOM 587 NZ LYS T 39 100.105 2.757 1.243 1.00 0.00 N ATOM 0 H LYS T 39 93.790 3.683 1.152 1.00 0.00 H new ATOM 0 HA LYS T 39 94.952 6.150 0.258 1.00 0.00 H new ATOM 0 HB2 LYS T 39 95.244 3.246 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS T 39 96.243 4.563 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS T 39 96.803 5.064 1.242 1.00 0.00 H new ATOM 0 HG3 LYS T 39 96.035 3.538 1.632 1.00 0.00 H new ATOM 0 HD2 LYS T 39 97.599 2.334 0.104 1.00 0.00 H new ATOM 0 HD3 LYS T 39 98.341 3.853 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS T 39 98.864 4.235 2.137 1.00 0.00 H new ATOM 0 HE3 LYS T 39 98.343 2.587 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS T 39 100.736 2.701 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS T 39 100.005 1.813 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS T 39 100.509 3.410 0.542 1.00 0.00 H new ATOM 601 N GLU T 40 93.086 4.414 -1.873 1.00 0.00 N ATOM 602 CA GLU T 40 92.288 4.531 -3.093 1.00 0.00 C ATOM 603 C GLU T 40 90.851 4.926 -2.767 1.00 0.00 C ATOM 604 O GLU T 40 90.001 4.994 -3.655 1.00 0.00 O ATOM 605 CB GLU T 40 92.289 3.199 -3.844 1.00 0.00 C ATOM 606 CG GLU T 40 93.728 2.705 -4.007 1.00 0.00 C ATOM 607 CD GLU T 40 94.551 3.738 -4.770 1.00 0.00 C ATOM 608 OE1 GLU T 40 94.073 4.212 -5.787 1.00 0.00 O ATOM 609 OE2 GLU T 40 95.647 4.038 -4.326 1.00 0.00 O ATOM 0 H GLU T 40 93.102 3.479 -1.466 1.00 0.00 H new ATOM 0 HA GLU T 40 92.732 5.307 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU T 40 91.700 2.462 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU T 40 91.822 3.320 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU T 40 94.172 2.525 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU T 40 93.737 1.755 -4.541 1.00 0.00 H new ATOM 616 N LEU T 41 90.582 5.183 -1.492 1.00 0.00 N ATOM 617 CA LEU T 41 89.239 5.565 -1.065 1.00 0.00 C ATOM 618 C LEU T 41 88.973 7.036 -1.391 1.00 0.00 C ATOM 619 O LEU T 41 88.165 7.352 -2.262 1.00 0.00 O ATOM 620 CB LEU T 41 89.090 5.321 0.449 1.00 0.00 C ATOM 621 CG LEU T 41 87.616 5.072 0.830 1.00 0.00 C ATOM 622 CD1 LEU T 41 86.735 6.195 0.271 1.00 0.00 C ATOM 623 CD2 LEU T 41 87.131 3.711 0.287 1.00 0.00 C ATOM 0 H LEU T 41 91.270 5.135 -0.740 1.00 0.00 H new ATOM 0 HA LEU T 41 88.510 4.957 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU T 41 89.695 4.463 0.743 1.00 0.00 H new ATOM 0 HB3 LEU T 41 89.470 6.182 0.998 1.00 0.00 H new ATOM 0 HG LEU T 41 87.541 5.058 1.917 1.00 0.00 H new ATOM 0 HD11 LEU T 41 85.696 6.012 0.544 1.00 0.00 H new ATOM 0 HD12 LEU T 41 87.057 7.150 0.686 1.00 0.00 H new ATOM 0 HD13 LEU T 41 86.825 6.222 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU T 41 86.089 3.557 0.568 1.00 0.00 H new ATOM 0 HD22 LEU T 41 87.219 3.700 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU T 41 87.742 2.913 0.708 1.00 0.00 H new ATOM 635 N GLY T 42 89.654 7.926 -0.677 1.00 0.00 N ATOM 636 CA GLY T 42 89.480 9.360 -0.888 1.00 0.00 C ATOM 637 C GLY T 42 89.660 9.735 -2.356 1.00 0.00 C ATOM 638 O GLY T 42 88.877 10.508 -2.907 1.00 0.00 O ATOM 0 H GLY T 42 90.328 7.683 0.049 1.00 0.00 H new ATOM 0 HA2 GLY T 42 88.487 9.660 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY T 42 90.200 9.908 -0.280 1.00 0.00 H new ATOM 642 N LYS T 43 90.698 9.189 -2.983 1.00 0.00 N ATOM 643 CA LYS T 43 90.973 9.484 -4.387 1.00 0.00 C ATOM 644 C LYS T 43 89.688 9.463 -5.213 1.00 0.00 C ATOM 645 O LYS T 43 89.518 10.267 -6.129 1.00 0.00 O ATOM 646 CB LYS T 43 91.962 8.461 -4.953 1.00 0.00 C ATOM 647 CG LYS T 43 93.346 8.689 -4.339 1.00 0.00 C ATOM 648 CD LYS T 43 94.373 7.805 -5.049 1.00 0.00 C ATOM 649 CE LYS T 43 95.784 8.214 -4.620 1.00 0.00 C ATOM 650 NZ LYS T 43 96.778 7.289 -5.232 1.00 0.00 N ATOM 0 H LYS T 43 91.358 8.545 -2.546 1.00 0.00 H new ATOM 0 HA LYS T 43 91.406 10.483 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS T 43 91.619 7.450 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS T 43 92.015 8.553 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS T 43 93.628 9.738 -4.431 1.00 0.00 H new ATOM 0 HG3 LYS T 43 93.326 8.457 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS T 43 94.197 6.757 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS T 43 94.267 7.903 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS T 43 95.987 9.239 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS T 43 95.867 8.187 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS T 43 97.737 7.567 -4.940 1.00 0.00 H new ATOM 0 HZ2 LYS T 43 96.588 6.317 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS T 43 96.704 7.336 -6.268 1.00 0.00 H new ATOM 664 N VAL T 44 88.789 8.542 -4.883 1.00 0.00 N ATOM 665 CA VAL T 44 87.524 8.431 -5.606 1.00 0.00 C ATOM 666 C VAL T 44 86.531 9.483 -5.118 1.00 0.00 C ATOM 667 O VAL T 44 85.703 9.971 -5.888 1.00 0.00 O ATOM 668 CB VAL T 44 86.931 7.034 -5.409 1.00 0.00 C ATOM 669 CG1 VAL T 44 85.555 6.960 -6.077 1.00 0.00 C ATOM 670 CG2 VAL T 44 87.858 5.994 -6.043 1.00 0.00 C ATOM 0 H VAL T 44 88.909 7.867 -4.128 1.00 0.00 H new ATOM 0 HA VAL T 44 87.717 8.597 -6.666 1.00 0.00 H new ATOM 0 HB VAL T 44 86.828 6.832 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL T 44 85.135 5.964 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL T 44 84.893 7.701 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL T 44 85.657 7.163 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL T 44 87.437 4.998 -5.904 1.00 0.00 H new ATOM 0 HG22 VAL T 44 87.960 6.199 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL T 44 88.838 6.043 -5.569 1.00 0.00 H new ATOM 680 N MET T 45 86.619 9.828 -3.838 1.00 0.00 N ATOM 681 CA MET T 45 85.720 10.824 -3.264 1.00 0.00 C ATOM 682 C MET T 45 86.108 12.226 -3.724 1.00 0.00 C ATOM 683 O MET T 45 85.443 13.206 -3.388 1.00 0.00 O ATOM 684 CB MET T 45 85.771 10.755 -1.730 1.00 0.00 C ATOM 685 CG MET T 45 85.470 9.317 -1.236 1.00 0.00 C ATOM 686 SD MET T 45 83.809 9.241 -0.506 1.00 0.00 S ATOM 687 CE MET T 45 82.854 9.405 -2.037 1.00 0.00 C ATOM 0 H MET T 45 87.297 9.437 -3.183 1.00 0.00 H new ATOM 0 HA MET T 45 84.707 10.609 -3.604 1.00 0.00 H new ATOM 0 HB2 MET T 45 86.755 11.067 -1.379 1.00 0.00 H new ATOM 0 HB3 MET T 45 85.046 11.450 -1.305 1.00 0.00 H new ATOM 0 HG2 MET T 45 85.542 8.616 -2.068 1.00 0.00 H new ATOM 0 HG3 MET T 45 86.214 9.015 -0.499 1.00 0.00 H new ATOM 0 HE1 MET T 45 81.858 8.987 -1.891 1.00 0.00 H new ATOM 0 HE2 MET T 45 82.770 10.459 -2.302 1.00 0.00 H new ATOM 0 HE3 MET T 45 83.359 8.868 -2.840 1.00 0.00 H new ATOM 697 N ARG T 46 87.187 12.313 -4.495 1.00 0.00 N ATOM 698 CA ARG T 46 87.654 13.602 -4.994 1.00 0.00 C ATOM 699 C ARG T 46 86.805 14.058 -6.176 1.00 0.00 C ATOM 700 O ARG T 46 86.365 15.207 -6.230 1.00 0.00 O ATOM 701 CB ARG T 46 89.118 13.495 -5.427 1.00 0.00 C ATOM 702 CG ARG T 46 89.641 14.881 -5.805 1.00 0.00 C ATOM 703 CD ARG T 46 91.128 14.790 -6.151 1.00 0.00 C ATOM 704 NE ARG T 46 91.673 16.120 -6.393 1.00 0.00 N ATOM 705 CZ ARG T 46 92.985 16.330 -6.424 1.00 0.00 C ATOM 706 NH1 ARG T 46 93.809 15.336 -6.233 1.00 0.00 N ATOM 707 NH2 ARG T 46 93.450 17.529 -6.642 1.00 0.00 N ATOM 0 H ARG T 46 87.750 11.514 -4.786 1.00 0.00 H new ATOM 0 HA ARG T 46 87.565 14.335 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG T 46 89.718 13.076 -4.619 1.00 0.00 H new ATOM 0 HB3 ARG T 46 89.209 12.817 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG T 46 89.082 15.272 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG T 46 89.491 15.575 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG T 46 91.669 14.310 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG T 46 91.265 14.167 -7.035 1.00 0.00 H new ATOM 0 HE ARG T 46 91.036 16.903 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG T 46 93.446 14.399 -6.060 1.00 0.00 H new ATOM 0 HH12 ARG T 46 94.816 15.497 -6.257 1.00 0.00 H new ATOM 0 HH21 ARG T 46 92.807 18.307 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG T 46 94.457 17.689 -6.666 1.00 0.00 H new ATOM 721 N MET T 47 86.577 13.151 -7.120 1.00 0.00 N ATOM 722 CA MET T 47 85.778 13.473 -8.297 1.00 0.00 C ATOM 723 C MET T 47 84.493 14.188 -7.894 1.00 0.00 C ATOM 724 O MET T 47 84.176 15.257 -8.415 1.00 0.00 O ATOM 725 CB MET T 47 85.434 12.192 -9.061 1.00 0.00 C ATOM 726 CG MET T 47 86.723 11.522 -9.543 1.00 0.00 C ATOM 727 SD MET T 47 86.323 10.272 -10.789 1.00 0.00 S ATOM 728 CE MET T 47 85.172 9.306 -9.782 1.00 0.00 C ATOM 0 H MET T 47 86.931 12.195 -7.094 1.00 0.00 H new ATOM 0 HA MET T 47 86.361 14.133 -8.939 1.00 0.00 H new ATOM 0 HB2 MET T 47 84.876 11.511 -8.418 1.00 0.00 H new ATOM 0 HB3 MET T 47 84.793 12.424 -9.911 1.00 0.00 H new ATOM 0 HG2 MET T 47 87.398 12.268 -9.964 1.00 0.00 H new ATOM 0 HG3 MET T 47 87.242 11.061 -8.703 1.00 0.00 H new ATOM 0 HE1 MET T 47 85.070 8.306 -10.204 1.00 0.00 H new ATOM 0 HE2 MET T 47 85.553 9.233 -8.763 1.00 0.00 H new ATOM 0 HE3 MET T 47 84.198 9.796 -9.771 1.00 0.00 H new ATOM 738 N LEU T 48 83.756 13.590 -6.964 1.00 0.00 N ATOM 739 CA LEU T 48 82.505 14.178 -6.498 1.00 0.00 C ATOM 740 C LEU T 48 82.740 15.606 -6.011 1.00 0.00 C ATOM 741 O LEU T 48 82.535 16.568 -6.751 1.00 0.00 O ATOM 742 CB LEU T 48 81.920 13.334 -5.358 1.00 0.00 C ATOM 743 CG LEU T 48 81.259 12.075 -5.929 1.00 0.00 C ATOM 744 CD1 LEU T 48 82.311 11.204 -6.626 1.00 0.00 C ATOM 745 CD2 LEU T 48 80.613 11.282 -4.788 1.00 0.00 C ATOM 0 H LEU T 48 84.001 12.705 -6.521 1.00 0.00 H new ATOM 0 HA LEU T 48 81.800 14.198 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU T 48 82.708 13.056 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU T 48 81.189 13.918 -4.799 1.00 0.00 H new ATOM 0 HG LEU T 48 80.498 12.364 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU T 48 81.834 10.311 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU T 48 82.771 11.768 -7.438 1.00 0.00 H new ATOM 0 HD13 LEU T 48 83.077 10.913 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU T 48 80.141 10.385 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU T 48 81.377 10.997 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU T 48 79.860 11.899 -4.297 1.00 0.00 H new ATOM 757 N GLY T 49 83.172 15.735 -4.760 1.00 0.00 N ATOM 758 CA GLY T 49 83.432 17.049 -4.183 1.00 0.00 C ATOM 759 C GLY T 49 83.688 16.943 -2.683 1.00 0.00 C ATOM 760 O GLY T 49 83.215 17.770 -1.904 1.00 0.00 O ATOM 0 H GLY T 49 83.348 14.952 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY T 49 84.295 17.501 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY T 49 82.581 17.706 -4.365 1.00 0.00 H new ATOM 764 N GLN T 50 84.440 15.917 -2.286 1.00 0.00 N ATOM 765 CA GLN T 50 84.762 15.700 -0.873 1.00 0.00 C ATOM 766 C GLN T 50 86.233 15.326 -0.717 1.00 0.00 C ATOM 767 O GLN T 50 86.878 14.891 -1.671 1.00 0.00 O ATOM 768 CB GLN T 50 83.888 14.576 -0.307 1.00 0.00 C ATOM 769 CG GLN T 50 82.416 14.991 -0.359 1.00 0.00 C ATOM 770 CD GLN T 50 82.166 16.156 0.592 1.00 0.00 C ATOM 771 OE1 GLN T 50 81.961 15.920 1.859 1.00 0.00 O flip ATOM 772 NE2 GLN T 50 82.160 17.312 0.169 1.00 0.00 N flip ATOM 0 H GLN T 50 84.838 15.224 -2.920 1.00 0.00 H new ATOM 0 HA GLN T 50 84.569 16.623 -0.326 1.00 0.00 H new ATOM 0 HB2 GLN T 50 84.038 13.661 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN T 50 84.179 14.359 0.721 1.00 0.00 H new ATOM 0 HG2 GLN T 50 82.147 15.277 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN T 50 81.782 14.147 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN T 50 82.321 17.493 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN T 50 81.995 18.089 0.809 1.00 0.00 H new ATOM 781 N ASN T 51 86.757 15.499 0.492 1.00 0.00 N ATOM 782 CA ASN T 51 88.154 15.178 0.761 1.00 0.00 C ATOM 783 C ASN T 51 88.450 15.275 2.256 1.00 0.00 C ATOM 784 O ASN T 51 89.267 16.088 2.685 1.00 0.00 O ATOM 785 CB ASN T 51 89.066 16.140 -0.003 1.00 0.00 C ATOM 786 CG ASN T 51 90.513 15.667 0.083 1.00 0.00 C ATOM 787 OD1 ASN T 51 90.798 14.650 0.715 1.00 0.00 O ATOM 788 ND2 ASN T 51 91.449 16.348 -0.519 1.00 0.00 N ATOM 0 H ASN T 51 86.240 15.857 1.295 1.00 0.00 H new ATOM 0 HA ASN T 51 88.342 14.156 0.431 1.00 0.00 H new ATOM 0 HB2 ASN T 51 88.755 16.198 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN T 51 88.978 17.144 0.412 1.00 0.00 H new ATOM 0 HD21 ASN T 51 92.419 16.038 -0.466 1.00 0.00 H new ATOM 0 HD22 ASN T 51 91.210 17.190 -1.042 1.00 0.00 H new ATOM 795 N PRO T 52 87.800 14.462 3.048 1.00 0.00 N ATOM 796 CA PRO T 52 87.993 14.453 4.528 1.00 0.00 C ATOM 797 C PRO T 52 89.284 13.741 4.934 1.00 0.00 C ATOM 798 O PRO T 52 90.006 13.213 4.088 1.00 0.00 O ATOM 799 CB PRO T 52 86.756 13.701 5.034 1.00 0.00 C ATOM 800 CG PRO T 52 86.409 12.757 3.926 1.00 0.00 C ATOM 801 CD PRO T 52 86.807 13.460 2.622 1.00 0.00 C ATOM 0 HA PRO T 52 88.090 15.455 4.946 1.00 0.00 H new ATOM 0 HB2 PRO T 52 86.969 13.165 5.959 1.00 0.00 H new ATOM 0 HB3 PRO T 52 85.934 14.386 5.244 1.00 0.00 H new ATOM 0 HG2 PRO T 52 86.943 11.813 4.038 1.00 0.00 H new ATOM 0 HG3 PRO T 52 85.344 12.524 3.933 1.00 0.00 H new ATOM 0 HD2 PRO T 52 87.230 12.759 1.903 1.00 0.00 H new ATOM 0 HD3 PRO T 52 85.948 13.928 2.142 1.00 0.00 H new ATOM 809 N THR T 53 89.564 13.732 6.233 1.00 0.00 N ATOM 810 CA THR T 53 90.768 13.083 6.742 1.00 0.00 C ATOM 811 C THR T 53 90.624 11.561 6.656 1.00 0.00 C ATOM 812 O THR T 53 89.510 11.039 6.697 1.00 0.00 O ATOM 813 CB THR T 53 91.011 13.499 8.204 1.00 0.00 C ATOM 814 OG1 THR T 53 91.638 12.432 8.905 1.00 0.00 O ATOM 815 CG2 THR T 53 89.677 13.829 8.879 1.00 0.00 C ATOM 0 H THR T 53 88.979 14.163 6.948 1.00 0.00 H new ATOM 0 HA THR T 53 91.617 13.394 6.134 1.00 0.00 H new ATOM 0 HB THR T 53 91.654 14.379 8.222 1.00 0.00 H new ATOM 0 HG1 THR T 53 91.794 12.698 9.835 1.00 0.00 H new ATOM 0 HG21 THR T 53 89.855 14.123 9.913 1.00 0.00 H new ATOM 0 HG22 THR T 53 89.193 14.648 8.347 1.00 0.00 H new ATOM 0 HG23 THR T 53 89.031 12.951 8.857 1.00 0.00 H new ATOM 823 N PRO T 54 91.716 10.840 6.544 1.00 0.00 N ATOM 824 CA PRO T 54 91.683 9.349 6.457 1.00 0.00 C ATOM 825 C PRO T 54 91.240 8.714 7.775 1.00 0.00 C ATOM 826 O PRO T 54 91.017 7.506 7.850 1.00 0.00 O ATOM 827 CB PRO T 54 93.132 8.972 6.107 1.00 0.00 C ATOM 828 CG PRO T 54 93.958 10.102 6.634 1.00 0.00 C ATOM 829 CD PRO T 54 93.097 11.357 6.485 1.00 0.00 C ATOM 0 HA PRO T 54 90.965 8.990 5.720 1.00 0.00 H new ATOM 0 HB2 PRO T 54 93.417 8.026 6.567 1.00 0.00 H new ATOM 0 HB3 PRO T 54 93.262 8.855 5.031 1.00 0.00 H new ATOM 0 HG2 PRO T 54 94.228 9.935 7.677 1.00 0.00 H new ATOM 0 HG3 PRO T 54 94.889 10.199 6.075 1.00 0.00 H new ATOM 0 HD2 PRO T 54 93.291 12.073 7.283 1.00 0.00 H new ATOM 0 HD3 PRO T 54 93.294 11.868 5.543 1.00 0.00 H new ATOM 837 N GLU T 55 91.114 9.540 8.810 1.00 0.00 N ATOM 838 CA GLU T 55 90.696 9.051 10.118 1.00 0.00 C ATOM 839 C GLU T 55 89.185 8.841 10.151 1.00 0.00 C ATOM 840 O GLU T 55 88.693 7.890 10.757 1.00 0.00 O ATOM 841 CB GLU T 55 91.097 10.052 11.203 1.00 0.00 C ATOM 842 CG GLU T 55 90.916 9.414 12.581 1.00 0.00 C ATOM 843 CD GLU T 55 91.104 10.463 13.671 1.00 0.00 C ATOM 844 OE1 GLU T 55 91.558 11.549 13.348 1.00 0.00 O ATOM 845 OE2 GLU T 55 90.791 10.167 14.812 1.00 0.00 O ATOM 0 H GLU T 55 91.294 10.543 8.768 1.00 0.00 H new ATOM 0 HA GLU T 55 91.190 8.097 10.304 1.00 0.00 H new ATOM 0 HB2 GLU T 55 92.134 10.357 11.065 1.00 0.00 H new ATOM 0 HB3 GLU T 55 90.487 10.952 11.125 1.00 0.00 H new ATOM 0 HG2 GLU T 55 89.923 8.972 12.658 1.00 0.00 H new ATOM 0 HG3 GLU T 55 91.636 8.606 12.714 1.00 0.00 H new ATOM 852 N GLU T 56 88.456 9.737 9.493 1.00 0.00 N ATOM 853 CA GLU T 56 87.000 9.642 9.449 1.00 0.00 C ATOM 854 C GLU T 56 86.561 8.612 8.413 1.00 0.00 C ATOM 855 O GLU T 56 85.498 8.005 8.540 1.00 0.00 O ATOM 856 CB GLU T 56 86.399 11.005 9.103 1.00 0.00 C ATOM 857 CG GLU T 56 86.587 11.961 10.282 1.00 0.00 C ATOM 858 CD GLU T 56 85.973 13.318 9.956 1.00 0.00 C ATOM 859 OE1 GLU T 56 85.314 13.418 8.934 1.00 0.00 O ATOM 860 OE2 GLU T 56 86.170 14.239 10.732 1.00 0.00 O ATOM 0 H GLU T 56 88.846 10.532 8.986 1.00 0.00 H new ATOM 0 HA GLU T 56 86.645 9.327 10.430 1.00 0.00 H new ATOM 0 HB2 GLU T 56 86.879 11.410 8.212 1.00 0.00 H new ATOM 0 HB3 GLU T 56 85.339 10.899 8.873 1.00 0.00 H new ATOM 0 HG2 GLU T 56 86.120 11.546 11.175 1.00 0.00 H new ATOM 0 HG3 GLU T 56 87.648 12.076 10.502 1.00 0.00 H new ATOM 867 N LEU T 57 87.385 8.423 7.389 1.00 0.00 N ATOM 868 CA LEU T 57 87.071 7.464 6.335 1.00 0.00 C ATOM 869 C LEU T 57 87.249 6.035 6.842 1.00 0.00 C ATOM 870 O LEU T 57 86.347 5.208 6.720 1.00 0.00 O ATOM 871 CB LEU T 57 87.982 7.701 5.123 1.00 0.00 C ATOM 872 CG LEU T 57 87.532 8.964 4.355 1.00 0.00 C ATOM 873 CD1 LEU T 57 88.717 9.548 3.578 1.00 0.00 C ATOM 874 CD2 LEU T 57 86.414 8.612 3.361 1.00 0.00 C ATOM 0 H LEU T 57 88.269 8.917 7.266 1.00 0.00 H new ATOM 0 HA LEU T 57 86.032 7.604 6.038 1.00 0.00 H new ATOM 0 HB2 LEU T 57 89.015 7.816 5.452 1.00 0.00 H new ATOM 0 HB3 LEU T 57 87.952 6.835 4.462 1.00 0.00 H new ATOM 0 HG LEU T 57 87.162 9.694 5.075 1.00 0.00 H new ATOM 0 HD11 LEU T 57 88.395 10.438 3.038 1.00 0.00 H new ATOM 0 HD12 LEU T 57 89.513 9.814 4.274 1.00 0.00 H new ATOM 0 HD13 LEU T 57 89.087 8.808 2.869 1.00 0.00 H new ATOM 0 HD21 LEU T 57 86.106 9.511 2.827 1.00 0.00 H new ATOM 0 HD22 LEU T 57 86.780 7.873 2.648 1.00 0.00 H new ATOM 0 HD23 LEU T 57 85.562 8.202 3.903 1.00 0.00 H new ATOM 886 N GLN T 58 88.418 5.753 7.412 1.00 0.00 N ATOM 887 CA GLN T 58 88.705 4.420 7.935 1.00 0.00 C ATOM 888 C GLN T 58 87.504 3.877 8.709 1.00 0.00 C ATOM 889 O GLN T 58 87.391 2.671 8.932 1.00 0.00 O ATOM 890 CB GLN T 58 89.937 4.477 8.849 1.00 0.00 C ATOM 891 CG GLN T 58 90.138 3.134 9.566 1.00 0.00 C ATOM 892 CD GLN T 58 90.108 1.984 8.565 1.00 0.00 C ATOM 893 OE1 GLN T 58 89.184 1.169 8.581 1.00 0.00 O ATOM 894 NE2 GLN T 58 91.070 1.864 7.692 1.00 0.00 N ATOM 0 H GLN T 58 89.177 6.425 7.523 1.00 0.00 H new ATOM 0 HA GLN T 58 88.907 3.751 7.098 1.00 0.00 H new ATOM 0 HB2 GLN T 58 90.823 4.718 8.261 1.00 0.00 H new ATOM 0 HB3 GLN T 58 89.816 5.273 9.583 1.00 0.00 H new ATOM 0 HG2 GLN T 58 91.090 3.137 10.097 1.00 0.00 H new ATOM 0 HG3 GLN T 58 89.357 2.994 10.313 1.00 0.00 H new ATOM 0 HE21 GLN T 58 91.834 2.539 7.679 1.00 0.00 H new ATOM 0 HE22 GLN T 58 91.058 1.095 7.022 1.00 0.00 H new ATOM 903 N GLU T 59 86.610 4.772 9.111 1.00 0.00 N ATOM 904 CA GLU T 59 85.423 4.369 9.856 1.00 0.00 C ATOM 905 C GLU T 59 84.570 3.415 9.025 1.00 0.00 C ATOM 906 O GLU T 59 84.407 2.247 9.375 1.00 0.00 O ATOM 907 CB GLU T 59 84.598 5.601 10.232 1.00 0.00 C ATOM 908 CG GLU T 59 85.442 6.536 11.100 1.00 0.00 C ATOM 909 CD GLU T 59 84.580 7.677 11.628 1.00 0.00 C ATOM 910 OE1 GLU T 59 83.368 7.568 11.538 1.00 0.00 O ATOM 911 OE2 GLU T 59 85.144 8.642 12.116 1.00 0.00 O ATOM 0 H GLU T 59 86.683 5.774 8.936 1.00 0.00 H new ATOM 0 HA GLU T 59 85.742 3.857 10.764 1.00 0.00 H new ATOM 0 HB2 GLU T 59 84.270 6.121 9.332 1.00 0.00 H new ATOM 0 HB3 GLU T 59 83.700 5.300 10.771 1.00 0.00 H new ATOM 0 HG2 GLU T 59 85.875 5.981 11.932 1.00 0.00 H new ATOM 0 HG3 GLU T 59 86.272 6.936 10.518 1.00 0.00 H new ATOM 918 N MET T 60 84.029 3.922 7.922 1.00 0.00 N ATOM 919 CA MET T 60 83.193 3.107 7.046 1.00 0.00 C ATOM 920 C MET T 60 83.842 1.749 6.795 1.00 0.00 C ATOM 921 O MET T 60 83.152 0.741 6.635 1.00 0.00 O ATOM 922 CB MET T 60 82.978 3.826 5.713 1.00 0.00 C ATOM 923 CG MET T 60 82.030 5.010 5.916 1.00 0.00 C ATOM 924 SD MET T 60 80.337 4.401 6.109 1.00 0.00 S ATOM 925 CE MET T 60 79.898 4.393 4.353 1.00 0.00 C ATOM 0 H MET T 60 84.153 4.887 7.614 1.00 0.00 H new ATOM 0 HA MET T 60 82.231 2.952 7.535 1.00 0.00 H new ATOM 0 HB2 MET T 60 83.932 4.175 5.318 1.00 0.00 H new ATOM 0 HB3 MET T 60 82.562 3.136 4.979 1.00 0.00 H new ATOM 0 HG2 MET T 60 82.326 5.579 6.797 1.00 0.00 H new ATOM 0 HG3 MET T 60 82.089 5.687 5.064 1.00 0.00 H new ATOM 0 HE1 MET T 60 78.872 4.043 4.236 1.00 0.00 H new ATOM 0 HE2 MET T 60 79.985 5.403 3.952 1.00 0.00 H new ATOM 0 HE3 MET T 60 80.572 3.728 3.813 1.00 0.00 H new ATOM 935 N ILE T 61 85.170 1.730 6.761 1.00 0.00 N ATOM 936 CA ILE T 61 85.901 0.489 6.528 1.00 0.00 C ATOM 937 C ILE T 61 85.917 -0.364 7.797 1.00 0.00 C ATOM 938 O ILE T 61 85.392 -1.476 7.815 1.00 0.00 O ATOM 939 CB ILE T 61 87.337 0.808 6.083 1.00 0.00 C ATOM 940 CG1 ILE T 61 87.320 1.347 4.645 1.00 0.00 C ATOM 941 CG2 ILE T 61 88.199 -0.459 6.130 1.00 0.00 C ATOM 942 CD1 ILE T 61 86.583 2.689 4.587 1.00 0.00 C ATOM 0 H ILE T 61 85.759 2.553 6.891 1.00 0.00 H new ATOM 0 HA ILE T 61 85.401 -0.074 5.740 1.00 0.00 H new ATOM 0 HB ILE T 61 87.756 1.555 6.757 1.00 0.00 H new ATOM 0 HG12 ILE T 61 88.341 1.470 4.284 1.00 0.00 H new ATOM 0 HG13 ILE T 61 86.833 0.628 3.986 1.00 0.00 H new ATOM 0 HG21 ILE T 61 89.214 -0.220 5.813 1.00 0.00 H new ATOM 0 HG22 ILE T 61 88.219 -0.848 7.148 1.00 0.00 H new ATOM 0 HG23 ILE T 61 87.777 -1.211 5.463 1.00 0.00 H new ATOM 0 HD11 ILE T 61 86.579 3.058 3.561 1.00 0.00 H new ATOM 0 HD12 ILE T 61 85.556 2.555 4.928 1.00 0.00 H new ATOM 0 HD13 ILE T 61 87.088 3.410 5.230 1.00 0.00 H new ATOM 954 N ASP T 62 86.526 0.167 8.852 1.00 0.00 N ATOM 955 CA ASP T 62 86.608 -0.555 10.118 1.00 0.00 C ATOM 956 C ASP T 62 85.255 -1.155 10.491 1.00 0.00 C ATOM 957 O ASP T 62 85.168 -2.016 11.366 1.00 0.00 O ATOM 958 CB ASP T 62 87.071 0.392 11.228 1.00 0.00 C ATOM 959 CG ASP T 62 87.358 -0.396 12.500 1.00 0.00 C ATOM 960 OD1 ASP T 62 88.382 -1.058 12.545 1.00 0.00 O ATOM 961 OD2 ASP T 62 86.550 -0.327 13.413 1.00 0.00 O ATOM 0 H ASP T 62 86.967 1.087 8.857 1.00 0.00 H new ATOM 0 HA ASP T 62 87.328 -1.365 10.003 1.00 0.00 H new ATOM 0 HB2 ASP T 62 87.967 0.926 10.911 1.00 0.00 H new ATOM 0 HB3 ASP T 62 86.304 1.142 11.421 1.00 0.00 H new ATOM 966 N GLU T 63 84.201 -0.692 9.823 1.00 0.00 N ATOM 967 CA GLU T 63 82.856 -1.191 10.095 1.00 0.00 C ATOM 968 C GLU T 63 82.609 -2.510 9.369 1.00 0.00 C ATOM 969 O GLU T 63 82.894 -3.584 9.897 1.00 0.00 O ATOM 970 CB GLU T 63 81.818 -0.157 9.648 1.00 0.00 C ATOM 971 CG GLU T 63 81.811 1.023 10.623 1.00 0.00 C ATOM 972 CD GLU T 63 81.082 2.209 10.003 1.00 0.00 C ATOM 973 OE1 GLU T 63 80.373 2.001 9.032 1.00 0.00 O ATOM 974 OE2 GLU T 63 81.243 3.308 10.507 1.00 0.00 O ATOM 0 H GLU T 63 84.251 0.022 9.096 1.00 0.00 H new ATOM 0 HA GLU T 63 82.764 -1.362 11.168 1.00 0.00 H new ATOM 0 HB2 GLU T 63 82.049 0.192 8.641 1.00 0.00 H new ATOM 0 HB3 GLU T 63 80.829 -0.614 9.608 1.00 0.00 H new ATOM 0 HG2 GLU T 63 81.324 0.733 11.554 1.00 0.00 H new ATOM 0 HG3 GLU T 63 82.834 1.305 10.873 1.00 0.00 H new ATOM 981 N VAL T 64 82.073 -2.419 8.155 1.00 0.00 N ATOM 982 CA VAL T 64 81.784 -3.610 7.363 1.00 0.00 C ATOM 983 C VAL T 64 82.940 -4.605 7.430 1.00 0.00 C ATOM 984 O VAL T 64 82.761 -5.793 7.164 1.00 0.00 O ATOM 985 CB VAL T 64 81.531 -3.219 5.906 1.00 0.00 C ATOM 986 CG1 VAL T 64 80.257 -2.377 5.815 1.00 0.00 C ATOM 987 CG2 VAL T 64 82.717 -2.406 5.383 1.00 0.00 C ATOM 0 H VAL T 64 81.831 -1.538 7.701 1.00 0.00 H new ATOM 0 HA VAL T 64 80.893 -4.084 7.776 1.00 0.00 H new ATOM 0 HB VAL T 64 81.413 -4.120 5.305 1.00 0.00 H new ATOM 0 HG11 VAL T 64 80.078 -2.099 4.776 1.00 0.00 H new ATOM 0 HG12 VAL T 64 79.411 -2.955 6.187 1.00 0.00 H new ATOM 0 HG13 VAL T 64 80.373 -1.476 6.417 1.00 0.00 H new ATOM 0 HG21 VAL T 64 82.537 -2.127 4.345 1.00 0.00 H new ATOM 0 HG22 VAL T 64 82.835 -1.505 5.986 1.00 0.00 H new ATOM 0 HG23 VAL T 64 83.625 -3.006 5.446 1.00 0.00 H new ATOM 997 N ASP T 65 84.122 -4.114 7.786 1.00 0.00 N ATOM 998 CA ASP T 65 85.294 -4.978 7.880 1.00 0.00 C ATOM 999 C ASP T 65 85.050 -6.097 8.890 1.00 0.00 C ATOM 1000 O ASP T 65 85.472 -6.008 10.042 1.00 0.00 O ATOM 1001 CB ASP T 65 86.522 -4.157 8.299 1.00 0.00 C ATOM 1002 CG ASP T 65 87.096 -3.412 7.096 1.00 0.00 C ATOM 1003 OD1 ASP T 65 86.367 -3.230 6.134 1.00 0.00 O ATOM 1004 OD2 ASP T 65 88.256 -3.041 7.153 1.00 0.00 O ATOM 0 H ASP T 65 84.294 -3.134 8.012 1.00 0.00 H new ATOM 0 HA ASP T 65 85.478 -5.421 6.901 1.00 0.00 H new ATOM 0 HB2 ASP T 65 86.245 -3.446 9.077 1.00 0.00 H new ATOM 0 HB3 ASP T 65 87.280 -4.815 8.724 1.00 0.00 H new ATOM 1009 N GLU T 66 84.373 -7.151 8.445 1.00 0.00 N ATOM 1010 CA GLU T 66 84.087 -8.283 9.317 1.00 0.00 C ATOM 1011 C GLU T 66 85.335 -9.142 9.494 1.00 0.00 C ATOM 1012 O GLU T 66 85.245 -10.347 9.726 1.00 0.00 O ATOM 1013 CB GLU T 66 82.960 -9.131 8.722 1.00 0.00 C ATOM 1014 CG GLU T 66 81.625 -8.400 8.885 1.00 0.00 C ATOM 1015 CD GLU T 66 81.162 -8.476 10.335 1.00 0.00 C ATOM 1016 OE1 GLU T 66 81.038 -9.580 10.840 1.00 0.00 O ATOM 1017 OE2 GLU T 66 80.938 -7.430 10.920 1.00 0.00 O ATOM 0 H GLU T 66 84.015 -7.244 7.494 1.00 0.00 H new ATOM 0 HA GLU T 66 83.776 -7.903 10.290 1.00 0.00 H new ATOM 0 HB2 GLU T 66 83.154 -9.323 7.667 1.00 0.00 H new ATOM 0 HB3 GLU T 66 82.919 -10.100 9.220 1.00 0.00 H new ATOM 0 HG2 GLU T 66 81.732 -7.358 8.583 1.00 0.00 H new ATOM 0 HG3 GLU T 66 80.875 -8.845 8.231 1.00 0.00 H new ATOM 1024 N ASP T 67 86.499 -8.508 9.383 1.00 0.00 N ATOM 1025 CA ASP T 67 87.766 -9.218 9.529 1.00 0.00 C ATOM 1026 C ASP T 67 88.875 -8.252 9.935 1.00 0.00 C ATOM 1027 O ASP T 67 90.054 -8.604 9.922 1.00 0.00 O ATOM 1028 CB ASP T 67 88.136 -9.899 8.210 1.00 0.00 C ATOM 1029 CG ASP T 67 87.945 -8.929 7.048 1.00 0.00 C ATOM 1030 OD1 ASP T 67 87.938 -7.732 7.294 1.00 0.00 O ATOM 1031 OD2 ASP T 67 87.808 -9.394 5.930 1.00 0.00 O ATOM 0 H ASP T 67 86.591 -7.510 9.194 1.00 0.00 H new ATOM 0 HA ASP T 67 87.653 -9.972 10.308 1.00 0.00 H new ATOM 0 HB2 ASP T 67 89.171 -10.238 8.245 1.00 0.00 H new ATOM 0 HB3 ASP T 67 87.516 -10.783 8.062 1.00 0.00 H new ATOM 1036 N GLY T 68 88.488 -7.032 10.297 1.00 0.00 N ATOM 1037 CA GLY T 68 89.459 -6.022 10.706 1.00 0.00 C ATOM 1038 C GLY T 68 90.657 -6.003 9.763 1.00 0.00 C ATOM 1039 O GLY T 68 91.776 -5.692 10.171 1.00 0.00 O ATOM 0 H GLY T 68 87.517 -6.720 10.316 1.00 0.00 H new ATOM 0 HA2 GLY T 68 88.985 -5.040 10.718 1.00 0.00 H new ATOM 0 HA3 GLY T 68 89.795 -6.226 11.723 1.00 0.00 H new ATOM 1043 N SER T 69 90.414 -6.339 8.500 1.00 0.00 N ATOM 1044 CA SER T 69 91.481 -6.359 7.507 1.00 0.00 C ATOM 1045 C SER T 69 91.811 -4.944 7.043 1.00 0.00 C ATOM 1046 O SER T 69 92.856 -4.707 6.438 1.00 0.00 O ATOM 1047 CB SER T 69 91.059 -7.206 6.306 1.00 0.00 C ATOM 1048 OG SER T 69 89.984 -6.564 5.634 1.00 0.00 O ATOM 0 H SER T 69 89.495 -6.599 8.142 1.00 0.00 H new ATOM 0 HA SER T 69 92.369 -6.794 7.965 1.00 0.00 H new ATOM 0 HB2 SER T 69 91.901 -7.339 5.626 1.00 0.00 H new ATOM 0 HB3 SER T 69 90.756 -8.200 6.636 1.00 0.00 H new ATOM 0 HG SER T 69 90.326 -6.091 4.847 1.00 0.00 H new ATOM 1054 N GLY T 70 90.913 -4.007 7.329 1.00 0.00 N ATOM 1055 CA GLY T 70 91.121 -2.619 6.935 1.00 0.00 C ATOM 1056 C GLY T 70 91.041 -2.470 5.420 1.00 0.00 C ATOM 1057 O GLY T 70 91.849 -1.768 4.812 1.00 0.00 O ATOM 0 H GLY T 70 90.041 -4.182 7.828 1.00 0.00 H new ATOM 0 HA2 GLY T 70 90.370 -1.985 7.408 1.00 0.00 H new ATOM 0 HA3 GLY T 70 92.094 -2.278 7.288 1.00 0.00 H new ATOM 1061 N THR T 71 90.061 -3.136 4.814 1.00 0.00 N ATOM 1062 CA THR T 71 89.881 -3.075 3.365 1.00 0.00 C ATOM 1063 C THR T 71 88.417 -3.303 2.997 1.00 0.00 C ATOM 1064 O THR T 71 87.548 -3.347 3.867 1.00 0.00 O ATOM 1065 CB THR T 71 90.749 -4.136 2.685 1.00 0.00 C ATOM 1066 OG1 THR T 71 90.436 -5.415 3.220 1.00 0.00 O ATOM 1067 CG2 THR T 71 92.227 -3.828 2.928 1.00 0.00 C ATOM 0 H THR T 71 89.382 -3.722 5.301 1.00 0.00 H new ATOM 0 HA THR T 71 90.182 -2.085 3.022 1.00 0.00 H new ATOM 0 HB THR T 71 90.553 -4.130 1.613 1.00 0.00 H new ATOM 0 HG1 THR T 71 90.990 -6.096 2.785 1.00 0.00 H new ATOM 0 HG21 THR T 71 92.841 -4.586 2.442 1.00 0.00 H new ATOM 0 HG22 THR T 71 92.467 -2.848 2.516 1.00 0.00 H new ATOM 0 HG23 THR T 71 92.428 -3.830 3.999 1.00 0.00 H new ATOM 1075 N VAL T 72 88.155 -3.446 1.700 1.00 0.00 N ATOM 1076 CA VAL T 72 86.793 -3.667 1.217 1.00 0.00 C ATOM 1077 C VAL T 72 86.809 -4.507 -0.057 1.00 0.00 C ATOM 1078 O VAL T 72 86.833 -3.971 -1.165 1.00 0.00 O ATOM 1079 CB VAL T 72 86.118 -2.324 0.933 1.00 0.00 C ATOM 1080 CG1 VAL T 72 84.718 -2.563 0.361 1.00 0.00 C ATOM 1081 CG2 VAL T 72 86.008 -1.526 2.233 1.00 0.00 C ATOM 0 H VAL T 72 88.864 -3.413 0.967 1.00 0.00 H new ATOM 0 HA VAL T 72 86.235 -4.201 1.986 1.00 0.00 H new ATOM 0 HB VAL T 72 86.713 -1.765 0.211 1.00 0.00 H new ATOM 0 HG11 VAL T 72 84.239 -1.605 0.159 1.00 0.00 H new ATOM 0 HG12 VAL T 72 84.796 -3.132 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL T 72 84.121 -3.123 1.081 1.00 0.00 H new ATOM 0 HG21 VAL T 72 85.527 -0.569 2.033 1.00 0.00 H new ATOM 0 HG22 VAL T 72 85.414 -2.086 2.955 1.00 0.00 H new ATOM 0 HG23 VAL T 72 87.005 -1.354 2.639 1.00 0.00 H new ATOM 1091 N ASP T 73 86.792 -5.825 0.109 1.00 0.00 N ATOM 1092 CA ASP T 73 86.803 -6.728 -1.036 1.00 0.00 C ATOM 1093 C ASP T 73 85.442 -6.729 -1.725 1.00 0.00 C ATOM 1094 O ASP T 73 84.631 -5.828 -1.515 1.00 0.00 O ATOM 1095 CB ASP T 73 87.151 -8.146 -0.579 1.00 0.00 C ATOM 1096 CG ASP T 73 86.142 -8.622 0.461 1.00 0.00 C ATOM 1097 OD1 ASP T 73 85.040 -8.099 0.471 1.00 0.00 O ATOM 1098 OD2 ASP T 73 86.486 -9.502 1.233 1.00 0.00 O ATOM 0 H ASP T 73 86.771 -6.289 1.017 1.00 0.00 H new ATOM 0 HA ASP T 73 87.556 -6.383 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP T 73 87.151 -8.822 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP T 73 88.156 -8.165 -0.158 1.00 0.00 H new ATOM 1103 N PHE T 74 85.198 -7.744 -2.550 1.00 0.00 N ATOM 1104 CA PHE T 74 83.930 -7.853 -3.269 1.00 0.00 C ATOM 1105 C PHE T 74 82.899 -8.610 -2.436 1.00 0.00 C ATOM 1106 O PHE T 74 81.806 -8.912 -2.911 1.00 0.00 O ATOM 1107 CB PHE T 74 84.148 -8.584 -4.595 1.00 0.00 C ATOM 1108 CG PHE T 74 82.922 -8.437 -5.464 1.00 0.00 C ATOM 1109 CD1 PHE T 74 82.699 -7.244 -6.163 1.00 0.00 C ATOM 1110 CD2 PHE T 74 82.007 -9.492 -5.572 1.00 0.00 C ATOM 1111 CE1 PHE T 74 81.564 -7.106 -6.970 1.00 0.00 C ATOM 1112 CE2 PHE T 74 80.871 -9.354 -6.379 1.00 0.00 C ATOM 1113 CZ PHE T 74 80.650 -8.161 -7.078 1.00 0.00 C ATOM 0 H PHE T 74 85.857 -8.499 -2.737 1.00 0.00 H new ATOM 0 HA PHE T 74 83.556 -6.847 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE T 74 85.020 -8.176 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE T 74 84.351 -9.639 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE T 74 83.404 -6.430 -6.079 1.00 0.00 H new ATOM 0 HD2 PHE T 74 82.178 -10.412 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE T 74 81.393 -6.186 -7.509 1.00 0.00 H new ATOM 0 HE2 PHE T 74 80.166 -10.167 -6.462 1.00 0.00 H new ATOM 0 HZ PHE T 74 79.774 -8.055 -7.701 1.00 0.00 H new ATOM 1123 N ASP T 75 83.257 -8.919 -1.189 1.00 0.00 N ATOM 1124 CA ASP T 75 82.357 -9.648 -0.293 1.00 0.00 C ATOM 1125 C ASP T 75 81.573 -8.686 0.596 1.00 0.00 C ATOM 1126 O ASP T 75 80.466 -8.270 0.252 1.00 0.00 O ATOM 1127 CB ASP T 75 83.164 -10.608 0.584 1.00 0.00 C ATOM 1128 CG ASP T 75 83.857 -11.651 -0.287 1.00 0.00 C ATOM 1129 OD1 ASP T 75 83.216 -12.633 -0.624 1.00 0.00 O ATOM 1130 OD2 ASP T 75 85.017 -11.452 -0.605 1.00 0.00 O ATOM 0 H ASP T 75 84.159 -8.678 -0.778 1.00 0.00 H new ATOM 0 HA ASP T 75 81.651 -10.211 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP T 75 83.904 -10.053 1.160 1.00 0.00 H new ATOM 0 HB3 ASP T 75 82.506 -11.099 1.301 1.00 0.00 H new ATOM 1135 N GLU T 76 82.150 -8.342 1.744 1.00 0.00 N ATOM 1136 CA GLU T 76 81.494 -7.435 2.681 1.00 0.00 C ATOM 1137 C GLU T 76 80.925 -6.216 1.958 1.00 0.00 C ATOM 1138 O GLU T 76 80.132 -5.463 2.524 1.00 0.00 O ATOM 1139 CB GLU T 76 82.488 -6.980 3.753 1.00 0.00 C ATOM 1140 CG GLU T 76 83.799 -6.558 3.090 1.00 0.00 C ATOM 1141 CD GLU T 76 84.787 -6.075 4.147 1.00 0.00 C ATOM 1142 OE1 GLU T 76 85.051 -6.829 5.069 1.00 0.00 O ATOM 1143 OE2 GLU T 76 85.264 -4.960 4.019 1.00 0.00 O ATOM 0 H GLU T 76 83.065 -8.675 2.047 1.00 0.00 H new ATOM 0 HA GLU T 76 80.671 -7.972 3.152 1.00 0.00 H new ATOM 0 HB2 GLU T 76 82.071 -6.148 4.320 1.00 0.00 H new ATOM 0 HB3 GLU T 76 82.670 -7.789 4.461 1.00 0.00 H new ATOM 0 HG2 GLU T 76 84.224 -7.397 2.540 1.00 0.00 H new ATOM 0 HG3 GLU T 76 83.611 -5.765 2.367 1.00 0.00 H new ATOM 1150 N PHE T 77 81.331 -6.024 0.708 1.00 0.00 N ATOM 1151 CA PHE T 77 80.850 -4.891 -0.074 1.00 0.00 C ATOM 1152 C PHE T 77 79.353 -5.025 -0.342 1.00 0.00 C ATOM 1153 O PHE T 77 78.551 -4.229 0.146 1.00 0.00 O ATOM 1154 CB PHE T 77 81.607 -4.811 -1.401 1.00 0.00 C ATOM 1155 CG PHE T 77 81.029 -3.701 -2.251 1.00 0.00 C ATOM 1156 CD1 PHE T 77 81.198 -2.366 -1.863 1.00 0.00 C ATOM 1157 CD2 PHE T 77 80.324 -4.005 -3.423 1.00 0.00 C ATOM 1158 CE1 PHE T 77 80.663 -1.337 -2.645 1.00 0.00 C ATOM 1159 CE2 PHE T 77 79.789 -2.974 -4.206 1.00 0.00 C ATOM 1160 CZ PHE T 77 79.959 -1.640 -3.817 1.00 0.00 C ATOM 0 H PHE T 77 81.986 -6.632 0.218 1.00 0.00 H new ATOM 0 HA PHE T 77 81.025 -3.978 0.495 1.00 0.00 H new ATOM 0 HB2 PHE T 77 82.665 -4.627 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE T 77 81.536 -5.762 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE T 77 81.742 -2.131 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE T 77 80.193 -5.034 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE T 77 80.793 -0.308 -2.345 1.00 0.00 H new ATOM 0 HE2 PHE T 77 79.246 -3.208 -5.109 1.00 0.00 H new ATOM 0 HZ PHE T 77 79.547 -0.845 -4.421 1.00 0.00 H new ATOM 1170 N LEU T 78 78.985 -6.036 -1.122 1.00 0.00 N ATOM 1171 CA LEU T 78 77.582 -6.263 -1.451 1.00 0.00 C ATOM 1172 C LEU T 78 76.719 -6.177 -0.196 1.00 0.00 C ATOM 1173 O LEU T 78 75.514 -5.940 -0.276 1.00 0.00 O ATOM 1174 CB LEU T 78 77.408 -7.643 -2.096 1.00 0.00 C ATOM 1175 CG LEU T 78 78.334 -7.774 -3.314 1.00 0.00 C ATOM 1176 CD1 LEU T 78 78.378 -9.238 -3.758 1.00 0.00 C ATOM 1177 CD2 LEU T 78 77.817 -6.904 -4.471 1.00 0.00 C ATOM 0 H LEU T 78 79.633 -6.707 -1.535 1.00 0.00 H new ATOM 0 HA LEU T 78 77.266 -5.492 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU T 78 77.635 -8.424 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU T 78 76.371 -7.783 -2.401 1.00 0.00 H new ATOM 0 HG LEU T 78 79.334 -7.439 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU T 78 79.034 -9.336 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU T 78 78.757 -9.854 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU T 78 77.374 -9.568 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU T 78 78.482 -7.006 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU T 78 76.814 -7.228 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU T 78 77.787 -5.861 -4.157 1.00 0.00 H new ATOM 1189 N VAL T 79 77.343 -6.369 0.961 1.00 0.00 N ATOM 1190 CA VAL T 79 76.619 -6.308 2.226 1.00 0.00 C ATOM 1191 C VAL T 79 76.360 -4.858 2.626 1.00 0.00 C ATOM 1192 O VAL T 79 75.329 -4.543 3.219 1.00 0.00 O ATOM 1193 CB VAL T 79 77.425 -7.006 3.323 1.00 0.00 C ATOM 1194 CG1 VAL T 79 76.527 -7.261 4.536 1.00 0.00 C ATOM 1195 CG2 VAL T 79 77.956 -8.340 2.794 1.00 0.00 C ATOM 0 H VAL T 79 78.340 -6.567 1.050 1.00 0.00 H new ATOM 0 HA VAL T 79 75.662 -6.815 2.100 1.00 0.00 H new ATOM 0 HB VAL T 79 78.261 -6.371 3.618 1.00 0.00 H new ATOM 0 HG11 VAL T 79 77.103 -7.758 5.317 1.00 0.00 H new ATOM 0 HG12 VAL T 79 76.148 -6.312 4.914 1.00 0.00 H new ATOM 0 HG13 VAL T 79 75.690 -7.895 4.242 1.00 0.00 H new ATOM 0 HG21 VAL T 79 78.531 -8.838 3.575 1.00 0.00 H new ATOM 0 HG22 VAL T 79 77.119 -8.973 2.499 1.00 0.00 H new ATOM 0 HG23 VAL T 79 78.597 -8.160 1.931 1.00 0.00 H new ATOM 1205 N MET T 80 77.303 -3.981 2.298 1.00 0.00 N ATOM 1206 CA MET T 80 77.167 -2.568 2.629 1.00 0.00 C ATOM 1207 C MET T 80 75.950 -1.966 1.930 1.00 0.00 C ATOM 1208 O MET T 80 75.289 -1.079 2.469 1.00 0.00 O ATOM 1209 CB MET T 80 78.427 -1.808 2.205 1.00 0.00 C ATOM 1210 CG MET T 80 78.430 -0.414 2.839 1.00 0.00 C ATOM 1211 SD MET T 80 79.583 0.656 1.944 1.00 0.00 S ATOM 1212 CE MET T 80 81.020 -0.442 2.014 1.00 0.00 C ATOM 0 H MET T 80 78.164 -4.222 1.807 1.00 0.00 H new ATOM 0 HA MET T 80 77.033 -2.480 3.707 1.00 0.00 H new ATOM 0 HB2 MET T 80 79.316 -2.359 2.512 1.00 0.00 H new ATOM 0 HB3 MET T 80 78.464 -1.724 1.119 1.00 0.00 H new ATOM 0 HG2 MET T 80 77.427 0.011 2.811 1.00 0.00 H new ATOM 0 HG3 MET T 80 78.719 -0.481 3.888 1.00 0.00 H new ATOM 0 HE1 MET T 80 81.931 0.142 1.881 1.00 0.00 H new ATOM 0 HE2 MET T 80 81.048 -0.943 2.982 1.00 0.00 H new ATOM 0 HE3 MET T 80 80.947 -1.187 1.222 1.00 0.00 H new ATOM 1222 N MET T 81 75.663 -2.455 0.727 1.00 0.00 N ATOM 1223 CA MET T 81 74.524 -1.956 -0.037 1.00 0.00 C ATOM 1224 C MET T 81 73.224 -2.572 0.468 1.00 0.00 C ATOM 1225 O MET T 81 72.323 -1.862 0.913 1.00 0.00 O ATOM 1226 CB MET T 81 74.706 -2.289 -1.521 1.00 0.00 C ATOM 1227 CG MET T 81 75.848 -1.450 -2.097 1.00 0.00 C ATOM 1228 SD MET T 81 77.414 -1.965 -1.344 1.00 0.00 S ATOM 1229 CE MET T 81 78.176 -0.326 -1.218 1.00 0.00 C ATOM 0 H MET T 81 76.198 -3.190 0.264 1.00 0.00 H new ATOM 0 HA MET T 81 74.472 -0.875 0.091 1.00 0.00 H new ATOM 0 HB2 MET T 81 74.923 -3.350 -1.642 1.00 0.00 H new ATOM 0 HB3 MET T 81 73.783 -2.088 -2.065 1.00 0.00 H new ATOM 0 HG2 MET T 81 75.894 -1.573 -3.179 1.00 0.00 H new ATOM 0 HG3 MET T 81 75.670 -0.392 -1.904 1.00 0.00 H new ATOM 0 HE1 MET T 81 79.151 -0.414 -0.739 1.00 0.00 H new ATOM 0 HE2 MET T 81 78.298 0.096 -2.216 1.00 0.00 H new ATOM 0 HE3 MET T 81 77.538 0.327 -0.623 1.00 0.00 H new ATOM 1239 N VAL T 82 73.132 -3.896 0.396 1.00 0.00 N ATOM 1240 CA VAL T 82 71.937 -4.598 0.848 1.00 0.00 C ATOM 1241 C VAL T 82 71.466 -4.050 2.194 1.00 0.00 C ATOM 1242 O VAL T 82 70.295 -3.712 2.362 1.00 0.00 O ATOM 1243 CB VAL T 82 72.225 -6.095 0.975 1.00 0.00 C ATOM 1244 CG1 VAL T 82 70.997 -6.809 1.543 1.00 0.00 C ATOM 1245 CG2 VAL T 82 72.552 -6.668 -0.407 1.00 0.00 C ATOM 0 H VAL T 82 73.867 -4.502 0.031 1.00 0.00 H new ATOM 0 HA VAL T 82 71.149 -4.442 0.111 1.00 0.00 H new ATOM 0 HB VAL T 82 73.072 -6.245 1.644 1.00 0.00 H new ATOM 0 HG11 VAL T 82 71.205 -7.875 1.632 1.00 0.00 H new ATOM 0 HG12 VAL T 82 70.762 -6.402 2.526 1.00 0.00 H new ATOM 0 HG13 VAL T 82 70.148 -6.660 0.876 1.00 0.00 H new ATOM 0 HG21 VAL T 82 72.758 -7.735 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL T 82 71.704 -6.516 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL T 82 73.428 -6.162 -0.813 1.00 0.00 H new ATOM 1255 N ARG T 83 72.388 -3.965 3.148 1.00 0.00 N ATOM 1256 CA ARG T 83 72.054 -3.457 4.474 1.00 0.00 C ATOM 1257 C ARG T 83 71.512 -2.034 4.380 1.00 0.00 C ATOM 1258 O ARG T 83 70.342 -1.785 4.671 1.00 0.00 O ATOM 1259 CB ARG T 83 73.295 -3.473 5.369 1.00 0.00 C ATOM 1260 CG ARG T 83 73.634 -4.916 5.750 1.00 0.00 C ATOM 1261 CD ARG T 83 74.800 -4.920 6.741 1.00 0.00 C ATOM 1262 NE ARG T 83 74.419 -4.234 7.971 1.00 0.00 N ATOM 1263 CZ ARG T 83 75.330 -3.891 8.876 1.00 0.00 C ATOM 1264 NH1 ARG T 83 76.590 -4.167 8.673 1.00 0.00 N ATOM 1265 NH2 ARG T 83 74.965 -3.277 9.968 1.00 0.00 N ATOM 0 H ARG T 83 73.363 -4.239 3.030 1.00 0.00 H new ATOM 0 HA ARG T 83 71.287 -4.100 4.906 1.00 0.00 H new ATOM 0 HB2 ARG T 83 74.137 -3.016 4.849 1.00 0.00 H new ATOM 0 HB3 ARG T 83 73.116 -2.881 6.267 1.00 0.00 H new ATOM 0 HG2 ARG T 83 72.764 -5.401 6.193 1.00 0.00 H new ATOM 0 HG3 ARG T 83 73.897 -5.487 4.859 1.00 0.00 H new ATOM 0 HD2 ARG T 83 75.093 -5.946 6.964 1.00 0.00 H new ATOM 0 HD3 ARG T 83 75.666 -4.430 6.296 1.00 0.00 H new ATOM 0 HE ARG T 83 73.437 -4.014 8.139 1.00 0.00 H new ATOM 0 HH11 ARG T 83 76.876 -4.646 7.819 1.00 0.00 H new ATOM 0 HH12 ARG T 83 77.288 -3.903 9.368 1.00 0.00 H new ATOM 0 HH21 ARG T 83 73.981 -3.061 10.127 1.00 0.00 H new ATOM 0 HH22 ARG T 83 75.664 -3.014 10.663 1.00 0.00 H new ATOM 1279 N SER T 84 72.371 -1.104 3.975 1.00 0.00 N ATOM 1280 CA SER T 84 71.968 0.291 3.848 1.00 0.00 C ATOM 1281 C SER T 84 70.658 0.405 3.077 1.00 0.00 C ATOM 1282 O SER T 84 69.835 1.277 3.357 1.00 0.00 O ATOM 1283 CB SER T 84 73.057 1.084 3.125 1.00 0.00 C ATOM 1284 OG SER T 84 74.261 1.024 3.880 1.00 0.00 O ATOM 0 H SER T 84 73.344 -1.290 3.731 1.00 0.00 H new ATOM 0 HA SER T 84 71.823 0.699 4.848 1.00 0.00 H new ATOM 0 HB2 SER T 84 73.219 0.676 2.127 1.00 0.00 H new ATOM 0 HB3 SER T 84 72.745 2.121 2.998 1.00 0.00 H new ATOM 0 HG SER T 84 74.832 0.310 3.528 1.00 0.00 H new ATOM 1290 N MET T 85 70.469 -0.481 2.104 1.00 0.00 N ATOM 1291 CA MET T 85 69.253 -0.470 1.299 1.00 0.00 C ATOM 1292 C MET T 85 68.095 -1.099 2.067 1.00 0.00 C ATOM 1293 O MET T 85 67.187 -0.403 2.521 1.00 0.00 O ATOM 1294 CB MET T 85 69.482 -1.238 -0.004 1.00 0.00 C ATOM 1295 CG MET T 85 70.384 -0.418 -0.929 1.00 0.00 C ATOM 1296 SD MET T 85 70.724 -1.365 -2.434 1.00 0.00 S ATOM 1297 CE MET T 85 71.748 -0.120 -3.257 1.00 0.00 C ATOM 0 H MET T 85 71.137 -1.211 1.855 1.00 0.00 H new ATOM 0 HA MET T 85 69.001 0.566 1.070 1.00 0.00 H new ATOM 0 HB2 MET T 85 69.941 -2.204 0.207 1.00 0.00 H new ATOM 0 HB3 MET T 85 68.529 -1.438 -0.493 1.00 0.00 H new ATOM 0 HG2 MET T 85 69.902 0.526 -1.182 1.00 0.00 H new ATOM 0 HG3 MET T 85 71.317 -0.173 -0.422 1.00 0.00 H new ATOM 0 HE1 MET T 85 72.075 -0.500 -4.225 1.00 0.00 H new ATOM 0 HE2 MET T 85 71.167 0.791 -3.403 1.00 0.00 H new ATOM 0 HE3 MET T 85 72.619 0.100 -2.640 1.00 0.00 H new ATOM 1307 N LYS T 86 68.134 -2.420 2.208 1.00 0.00 N ATOM 1308 CA LYS T 86 67.082 -3.133 2.923 1.00 0.00 C ATOM 1309 C LYS T 86 66.771 -2.442 4.247 1.00 0.00 C ATOM 1310 O LYS T 86 65.683 -2.597 4.800 1.00 0.00 O ATOM 1311 CB LYS T 86 67.514 -4.576 3.187 1.00 0.00 C ATOM 1312 CG LYS T 86 66.362 -5.345 3.836 1.00 0.00 C ATOM 1313 CD LYS T 86 66.709 -6.834 3.892 1.00 0.00 C ATOM 1314 CE LYS T 86 65.591 -7.593 4.610 1.00 0.00 C ATOM 1315 NZ LYS T 86 65.782 -9.058 4.418 1.00 0.00 N ATOM 0 H LYS T 86 68.877 -3.014 1.840 1.00 0.00 H new ATOM 0 HA LYS T 86 66.184 -3.131 2.305 1.00 0.00 H new ATOM 0 HB2 LYS T 86 67.805 -5.056 2.253 1.00 0.00 H new ATOM 0 HB3 LYS T 86 68.388 -4.591 3.838 1.00 0.00 H new ATOM 0 HG2 LYS T 86 66.178 -4.966 4.841 1.00 0.00 H new ATOM 0 HG3 LYS T 86 65.445 -5.196 3.266 1.00 0.00 H new ATOM 0 HD2 LYS T 86 66.839 -7.226 2.883 1.00 0.00 H new ATOM 0 HD3 LYS T 86 67.655 -6.978 4.415 1.00 0.00 H new ATOM 0 HE2 LYS T 86 65.597 -7.351 5.673 1.00 0.00 H new ATOM 0 HE3 LYS T 86 64.620 -7.288 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS T 86 65.022 -9.574 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS T 86 65.756 -9.281 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS T 86 66.702 -9.343 4.811 1.00 0.00 H new ATOM 1329 N ASP T 87 67.737 -1.678 4.750 1.00 0.00 N ATOM 1330 CA ASP T 87 67.557 -0.967 6.011 1.00 0.00 C ATOM 1331 C ASP T 87 68.561 0.175 6.129 1.00 0.00 C ATOM 1332 O ASP T 87 69.712 -0.034 6.510 1.00 0.00 O ATOM 1333 CB ASP T 87 67.739 -1.931 7.185 1.00 0.00 C ATOM 1334 CG ASP T 87 66.557 -2.892 7.257 1.00 0.00 C ATOM 1335 OD1 ASP T 87 65.441 -2.420 7.397 1.00 0.00 O ATOM 1336 OD2 ASP T 87 66.785 -4.088 7.172 1.00 0.00 O ATOM 0 H ASP T 87 68.645 -1.536 4.308 1.00 0.00 H new ATOM 0 HA ASP T 87 66.548 -0.554 6.033 1.00 0.00 H new ATOM 0 HB2 ASP T 87 68.667 -2.491 7.067 1.00 0.00 H new ATOM 0 HB3 ASP T 87 67.821 -1.371 8.117 1.00 0.00 H new ATOM 1341 N ASP T 88 68.117 1.383 5.800 1.00 0.00 N ATOM 1342 CA ASP T 88 68.986 2.553 5.872 1.00 0.00 C ATOM 1343 C ASP T 88 69.131 3.023 7.316 1.00 0.00 C ATOM 1344 O ASP T 88 68.178 2.974 8.094 1.00 0.00 O ATOM 1345 CB ASP T 88 68.411 3.685 5.020 1.00 0.00 C ATOM 1346 CG ASP T 88 67.034 4.081 5.541 1.00 0.00 C ATOM 1347 OD1 ASP T 88 66.468 3.317 6.304 1.00 0.00 O ATOM 1348 OD2 ASP T 88 66.564 5.144 5.167 1.00 0.00 O ATOM 0 H ASP T 88 67.167 1.578 5.483 1.00 0.00 H new ATOM 0 HA ASP T 88 69.969 2.276 5.491 1.00 0.00 H new ATOM 0 HB2 ASP T 88 69.080 4.546 5.044 1.00 0.00 H new ATOM 0 HB3 ASP T 88 68.338 3.368 3.980 1.00 0.00 H new ATOM 1353 N SER T 89 70.330 3.478 7.667 1.00 0.00 N ATOM 1354 CA SER T 89 70.588 3.956 9.021 1.00 0.00 C ATOM 1355 C SER T 89 71.972 4.592 9.109 1.00 0.00 C ATOM 1356 O SER T 89 72.645 4.640 8.094 1.00 0.00 O ATOM 1357 CB SER T 89 70.494 2.794 10.009 1.00 0.00 C ATOM 1358 OG SER T 89 71.703 2.046 9.972 1.00 0.00 O ATOM 1359 OXT SER T 89 72.336 5.021 10.191 1.00 0.00 O ATOM 0 H SER T 89 71.132 3.526 7.039 1.00 0.00 H new ATOM 0 HA SER T 89 69.839 4.707 9.272 1.00 0.00 H new ATOM 0 HB2 SER T 89 70.317 3.171 11.016 1.00 0.00 H new ATOM 0 HB3 SER T 89 69.649 2.154 9.756 1.00 0.00 H new ATOM 0 HG SER T 89 71.646 1.301 10.606 1.00 0.00 H new