USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0.0906 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.0932 K(o=0.18,f=-3.2) USER MOD Set 1.3: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 105 ASN : amide:sc= 0.242 X(o=0.46,f=0) USER MOD Set 2.2: A 110 THR OG1 : rot 110:sc= 0.214 USER MOD Set 3.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 30 GLN : amide:sc= 0.0973 K(o=0.19,f=-0.36) USER MOD Set 4.2: A 33 LYS NZ :NH3+ -144:sc= 0.095 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.193 USER MOD Single : A 4 SER OG : rot 37:sc= 0.158 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -30:sc= 0 USER MOD Single : A 8 GLN : amide:sc=0.000587 X(o=0.00059,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 32:sc= 0.00848 USER MOD Single : A 12 GLN : amide:sc= 0.0544 K(o=0.054,f=-0.63) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= 0.147 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.0086) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00743 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.482 (180deg=-0.91) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -130:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -122:sc= 0.0121 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 175:sc= 0.218 USER MOD Single : A 84 GLN : amide:sc=-0.00633 X(o=-0.0063,f=-0.0063) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 88:sc= 0.139 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00976) USER MOD Single : A 100 SER OG : rot -109:sc= 1.35 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.666) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.505 -10.664 13.198 1.00 0.00 N ATOM 2 CA SER A 2 8.995 -10.819 14.567 1.00 0.00 C ATOM 3 C SER A 2 8.507 -9.454 15.110 1.00 0.00 C ATOM 4 O SER A 2 9.301 -8.528 15.310 1.00 0.00 O ATOM 5 CB SER A 2 10.040 -11.495 15.485 1.00 0.00 C ATOM 6 OG SER A 2 11.232 -10.727 15.619 1.00 0.00 O ATOM 0 HA SER A 2 8.135 -11.488 14.552 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.603 -11.655 16.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.289 -12.477 15.084 1.00 0.00 H new ATOM 0 HG SER A 2 11.014 -9.773 15.564 1.00 0.00 H new ATOM 12 N PHE A 3 7.191 -9.350 15.361 1.00 0.00 N ATOM 13 CA PHE A 3 6.543 -8.079 15.800 1.00 0.00 C ATOM 14 C PHE A 3 6.644 -7.704 17.317 1.00 0.00 C ATOM 15 O PHE A 3 6.094 -6.665 17.691 1.00 0.00 O ATOM 16 CB PHE A 3 5.058 -8.090 15.336 1.00 0.00 C ATOM 17 CG PHE A 3 4.811 -7.957 13.822 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.791 -6.689 13.234 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.562 -9.084 13.032 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.521 -6.548 11.875 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.292 -8.942 11.675 1.00 0.00 C ATOM 22 CZ PHE A 3 4.274 -7.674 11.097 1.00 0.00 C ATOM 0 H PHE A 3 6.542 -10.131 15.270 1.00 0.00 H new ATOM 0 HA PHE A 3 7.123 -7.291 15.321 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.601 -9.019 15.676 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.537 -7.276 15.840 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.986 -5.814 13.837 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.579 -10.068 13.477 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.503 -5.566 11.426 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.096 -9.814 11.069 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.068 -7.566 10.042 1.00 0.00 H new ATOM 32 N SER A 4 7.345 -8.463 18.186 1.00 0.00 N ATOM 33 CA SER A 4 7.443 -8.161 19.632 1.00 0.00 C ATOM 34 C SER A 4 8.451 -7.010 19.919 1.00 0.00 C ATOM 35 O SER A 4 9.660 -7.159 19.704 1.00 0.00 O ATOM 36 CB SER A 4 7.784 -9.474 20.371 1.00 0.00 C ATOM 37 OG SER A 4 9.045 -10.019 19.989 1.00 0.00 O ATOM 0 H SER A 4 7.858 -9.300 17.907 1.00 0.00 H new ATOM 0 HA SER A 4 6.490 -7.787 20.005 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.785 -9.290 21.445 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.003 -10.208 20.174 1.00 0.00 H new ATOM 0 HG SER A 4 9.682 -9.291 19.830 1.00 0.00 H new ATOM 43 N GLY A 5 7.925 -5.864 20.377 1.00 0.00 N ATOM 44 CA GLY A 5 8.747 -4.665 20.651 1.00 0.00 C ATOM 45 C GLY A 5 7.920 -3.392 20.934 1.00 0.00 C ATOM 46 O GLY A 5 6.700 -3.333 20.745 1.00 0.00 O ATOM 0 H GLY A 5 6.931 -5.738 20.567 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.391 -4.866 21.507 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.399 -4.481 19.797 1.00 0.00 H new ATOM 50 N LYS A 6 8.647 -2.347 21.364 1.00 0.00 N ATOM 51 CA LYS A 6 8.092 -0.978 21.549 1.00 0.00 C ATOM 52 C LYS A 6 8.471 -0.144 20.291 1.00 0.00 C ATOM 53 O LYS A 6 9.649 -0.066 19.926 1.00 0.00 O ATOM 54 CB LYS A 6 8.662 -0.307 22.833 1.00 0.00 C ATOM 55 CG LYS A 6 8.065 -0.744 24.191 1.00 0.00 C ATOM 56 CD LYS A 6 8.461 -2.156 24.675 1.00 0.00 C ATOM 57 CE LYS A 6 8.018 -2.439 26.121 1.00 0.00 C ATOM 58 NZ LYS A 6 8.329 -3.823 26.519 1.00 0.00 N ATOM 0 H LYS A 6 9.638 -2.419 21.596 1.00 0.00 H new ATOM 0 HA LYS A 6 7.010 -1.030 21.668 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.736 -0.493 22.862 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.528 0.770 22.738 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.368 -0.022 24.949 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.978 -0.696 24.121 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.018 -2.899 24.012 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.543 -2.269 24.603 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.515 -1.744 26.798 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.946 -2.264 26.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.018 -3.981 27.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.835 -4.485 25.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.355 -3.981 26.452 1.00 0.00 H new ATOM 72 N TYR A 7 7.463 0.460 19.634 1.00 0.00 N ATOM 73 CA TYR A 7 7.654 1.151 18.327 1.00 0.00 C ATOM 74 C TYR A 7 7.198 2.627 18.494 1.00 0.00 C ATOM 75 O TYR A 7 6.010 2.940 18.385 1.00 0.00 O ATOM 76 CB TYR A 7 6.906 0.430 17.164 1.00 0.00 C ATOM 77 CG TYR A 7 7.289 -1.041 16.882 1.00 0.00 C ATOM 78 CD1 TYR A 7 6.685 -2.077 17.601 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.215 -1.359 15.880 1.00 0.00 C ATOM 80 CE1 TYR A 7 7.024 -3.403 17.352 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.530 -2.691 15.610 1.00 0.00 C ATOM 82 CZ TYR A 7 7.948 -3.709 16.358 1.00 0.00 C ATOM 83 OH TYR A 7 8.297 -5.014 16.134 1.00 0.00 O ATOM 0 H TYR A 7 6.504 0.488 19.980 1.00 0.00 H new ATOM 0 HA TYR A 7 8.707 1.123 18.048 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.837 0.466 17.376 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.069 1.003 16.251 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.949 -1.846 18.356 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.687 -0.570 15.314 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.570 -4.194 17.930 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.226 -2.932 14.820 1.00 0.00 H new ATOM 0 HH TYR A 7 8.229 -5.519 16.971 1.00 0.00 H new ATOM 93 N GLN A 8 8.165 3.531 18.751 1.00 0.00 N ATOM 94 CA GLN A 8 7.908 4.986 18.937 1.00 0.00 C ATOM 95 C GLN A 8 7.551 5.667 17.590 1.00 0.00 C ATOM 96 O GLN A 8 8.363 5.678 16.661 1.00 0.00 O ATOM 97 CB GLN A 8 9.166 5.623 19.602 1.00 0.00 C ATOM 98 CG GLN A 8 9.197 7.159 19.797 1.00 0.00 C ATOM 99 CD GLN A 8 8.166 7.720 20.791 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.335 7.623 22.006 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.093 8.326 20.306 1.00 0.00 N ATOM 0 H GLN A 8 9.150 3.279 18.837 1.00 0.00 H new ATOM 0 HA GLN A 8 7.047 5.135 19.588 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.294 5.161 20.581 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.034 5.347 19.003 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.194 7.445 20.133 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.039 7.634 18.829 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.962 8.401 19.297 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.398 8.717 20.941 1.00 0.00 H new ATOM 110 N LEU A 9 6.355 6.282 17.529 1.00 0.00 N ATOM 111 CA LEU A 9 5.893 7.045 16.341 1.00 0.00 C ATOM 112 C LEU A 9 6.768 8.308 16.091 1.00 0.00 C ATOM 113 O LEU A 9 7.075 9.076 17.008 1.00 0.00 O ATOM 114 CB LEU A 9 4.375 7.330 16.493 1.00 0.00 C ATOM 115 CG LEU A 9 3.648 8.050 15.321 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.698 7.256 14.003 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.180 8.317 15.700 1.00 0.00 C ATOM 0 H LEU A 9 5.681 6.268 18.294 1.00 0.00 H new ATOM 0 HA LEU A 9 6.022 6.453 15.435 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.872 6.378 16.664 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.236 7.931 17.392 1.00 0.00 H new ATOM 0 HG LEU A 9 4.177 8.988 15.154 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.174 7.810 13.224 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.736 7.108 13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.219 6.287 14.144 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.677 8.821 14.875 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.680 7.371 15.906 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.142 8.948 16.588 1.00 0.00 H new ATOM 129 N GLN A 10 7.210 8.442 14.832 1.00 0.00 N ATOM 130 CA GLN A 10 8.249 9.414 14.411 1.00 0.00 C ATOM 131 C GLN A 10 7.636 10.503 13.482 1.00 0.00 C ATOM 132 O GLN A 10 7.836 11.692 13.739 1.00 0.00 O ATOM 133 CB GLN A 10 9.433 8.637 13.752 1.00 0.00 C ATOM 134 CG GLN A 10 10.827 9.274 13.951 1.00 0.00 C ATOM 135 CD GLN A 10 11.554 8.812 15.229 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.426 7.945 15.183 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.223 9.359 16.388 1.00 0.00 N ATOM 0 H GLN A 10 6.856 7.874 14.062 1.00 0.00 H new ATOM 0 HA GLN A 10 8.644 9.947 15.276 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.452 7.625 14.156 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.240 8.550 12.683 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.449 9.039 13.087 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.718 10.358 13.980 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.500 10.078 16.425 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.691 9.062 17.244 1.00 0.00 H new ATOM 146 N SER A 11 6.903 10.099 12.420 1.00 0.00 N ATOM 147 CA SER A 11 6.202 11.028 11.508 1.00 0.00 C ATOM 148 C SER A 11 4.878 10.370 11.034 1.00 0.00 C ATOM 149 O SER A 11 4.895 9.305 10.409 1.00 0.00 O ATOM 150 CB SER A 11 7.121 11.420 10.331 1.00 0.00 C ATOM 151 OG SER A 11 7.533 10.305 9.544 1.00 0.00 O ATOM 0 H SER A 11 6.781 9.117 12.172 1.00 0.00 H new ATOM 0 HA SER A 11 5.951 11.952 12.030 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.599 12.134 9.693 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.004 11.927 10.721 1.00 0.00 H new ATOM 0 HG SER A 11 6.828 9.625 9.546 1.00 0.00 H new ATOM 157 N GLN A 12 3.738 11.027 11.321 1.00 0.00 N ATOM 158 CA GLN A 12 2.396 10.574 10.861 1.00 0.00 C ATOM 159 C GLN A 12 1.875 11.522 9.750 1.00 0.00 C ATOM 160 O GLN A 12 1.402 12.629 10.028 1.00 0.00 O ATOM 161 CB GLN A 12 1.394 10.367 12.028 1.00 0.00 C ATOM 162 CG GLN A 12 1.158 11.510 13.046 1.00 0.00 C ATOM 163 CD GLN A 12 0.212 11.140 14.208 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.505 10.137 14.193 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.188 11.951 15.253 1.00 0.00 N ATOM 0 H GLN A 12 3.713 11.883 11.875 1.00 0.00 H new ATOM 0 HA GLN A 12 2.498 9.581 10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.428 10.118 11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.724 9.493 12.590 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.119 11.817 13.459 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.748 12.371 12.519 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.780 12.781 15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.423 11.746 16.044 1.00 0.00 H new ATOM 174 N GLU A 13 1.959 11.061 8.487 1.00 0.00 N ATOM 175 CA GLU A 13 1.420 11.802 7.317 1.00 0.00 C ATOM 176 C GLU A 13 -0.090 11.500 7.145 1.00 0.00 C ATOM 177 O GLU A 13 -0.537 10.353 7.244 1.00 0.00 O ATOM 178 CB GLU A 13 2.181 11.470 6.007 1.00 0.00 C ATOM 179 CG GLU A 13 3.579 12.110 5.875 1.00 0.00 C ATOM 180 CD GLU A 13 4.722 11.256 6.431 1.00 0.00 C ATOM 181 OE1 GLU A 13 5.038 11.373 7.635 1.00 0.00 O ATOM 182 OE2 GLU A 13 5.309 10.461 5.664 1.00 0.00 O ATOM 0 H GLU A 13 2.397 10.173 8.244 1.00 0.00 H new ATOM 0 HA GLU A 13 1.562 12.865 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.287 10.388 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.572 11.790 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.774 12.314 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.575 13.070 6.391 1.00 0.00 H new ATOM 189 N ASN A 14 -0.857 12.578 6.912 1.00 0.00 N ATOM 190 CA ASN A 14 -2.352 12.575 6.942 1.00 0.00 C ATOM 191 C ASN A 14 -3.000 11.986 8.239 1.00 0.00 C ATOM 192 O ASN A 14 -3.857 11.100 8.172 1.00 0.00 O ATOM 193 CB ASN A 14 -2.982 11.994 5.638 1.00 0.00 C ATOM 194 CG ASN A 14 -2.736 12.786 4.338 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.894 14.006 4.287 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.384 12.109 3.257 1.00 0.00 N ATOM 0 H ASN A 14 -0.464 13.493 6.694 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.610 13.633 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.601 10.982 5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.059 11.911 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.242 12.598 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.255 11.098 3.308 1.00 0.00 H new ATOM 203 N PHE A 15 -2.635 12.531 9.418 1.00 0.00 N ATOM 204 CA PHE A 15 -3.400 12.316 10.677 1.00 0.00 C ATOM 205 C PHE A 15 -4.740 13.109 10.661 1.00 0.00 C ATOM 206 O PHE A 15 -5.798 12.485 10.740 1.00 0.00 O ATOM 207 CB PHE A 15 -2.488 12.599 11.908 1.00 0.00 C ATOM 208 CG PHE A 15 -3.187 12.508 13.280 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.433 11.273 13.891 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.657 13.675 13.890 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.118 11.212 15.103 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.361 13.609 15.085 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.586 12.381 15.698 1.00 0.00 C ATOM 0 H PHE A 15 -1.814 13.126 9.531 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.699 11.271 10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.657 11.893 11.894 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.061 13.596 11.802 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.090 10.363 13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.471 14.634 13.429 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.286 10.258 15.581 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.735 14.514 15.540 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.123 12.334 16.634 1.00 0.00 H new ATOM 223 N GLU A 16 -4.696 14.452 10.591 1.00 0.00 N ATOM 224 CA GLU A 16 -5.909 15.309 10.707 1.00 0.00 C ATOM 225 C GLU A 16 -6.913 15.283 9.513 1.00 0.00 C ATOM 226 O GLU A 16 -8.122 15.341 9.759 1.00 0.00 O ATOM 227 CB GLU A 16 -5.530 16.739 11.162 1.00 0.00 C ATOM 228 CG GLU A 16 -4.568 17.552 10.272 1.00 0.00 C ATOM 229 CD GLU A 16 -4.293 18.950 10.838 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.124 19.862 10.631 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.246 19.139 11.498 1.00 0.00 O ATOM 0 H GLU A 16 -3.832 14.977 10.454 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.502 14.836 11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.452 17.311 11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.085 16.667 12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.627 17.012 10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.992 17.644 9.272 1.00 0.00 H new ATOM 238 N ALA A 17 -6.444 15.144 8.255 1.00 0.00 N ATOM 239 CA ALA A 17 -7.318 14.786 7.101 1.00 0.00 C ATOM 240 C ALA A 17 -8.063 13.418 7.206 1.00 0.00 C ATOM 241 O ALA A 17 -9.244 13.343 6.853 1.00 0.00 O ATOM 242 CB ALA A 17 -6.480 14.849 5.806 1.00 0.00 C ATOM 0 H ALA A 17 -5.464 15.273 8.005 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.123 15.521 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.108 14.589 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.089 15.858 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.651 14.145 5.874 1.00 0.00 H new ATOM 248 N PHE A 18 -7.386 12.367 7.709 1.00 0.00 N ATOM 249 CA PHE A 18 -7.995 11.026 7.935 1.00 0.00 C ATOM 250 C PHE A 18 -8.984 10.981 9.138 1.00 0.00 C ATOM 251 O PHE A 18 -10.106 10.501 8.966 1.00 0.00 O ATOM 252 CB PHE A 18 -6.837 9.997 8.069 1.00 0.00 C ATOM 253 CG PHE A 18 -7.227 8.511 8.177 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.347 7.714 7.033 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.367 7.924 9.441 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.590 6.348 7.154 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.622 6.561 9.555 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.737 5.777 8.414 1.00 0.00 C ATOM 0 H PHE A 18 -6.402 12.416 7.972 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.622 10.773 7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.181 10.112 7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.253 10.258 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.251 8.159 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.277 8.531 10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.664 5.732 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.731 6.112 10.531 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.941 4.720 8.505 1.00 0.00 H new ATOM 268 N MET A 19 -8.556 11.449 10.327 1.00 0.00 N ATOM 269 CA MET A 19 -9.357 11.386 11.580 1.00 0.00 C ATOM 270 C MET A 19 -10.687 12.195 11.555 1.00 0.00 C ATOM 271 O MET A 19 -11.705 11.669 12.012 1.00 0.00 O ATOM 272 CB MET A 19 -8.487 11.772 12.805 1.00 0.00 C ATOM 273 CG MET A 19 -7.346 10.800 13.152 1.00 0.00 C ATOM 274 SD MET A 19 -8.001 9.187 13.622 1.00 0.00 S ATOM 275 CE MET A 19 -6.490 8.207 13.579 1.00 0.00 C ATOM 0 H MET A 19 -7.642 11.884 10.453 1.00 0.00 H new ATOM 0 HA MET A 19 -9.671 10.346 11.667 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.057 12.757 12.625 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.138 11.863 13.674 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.681 10.692 12.295 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.750 11.208 13.969 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.718 7.175 13.847 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.066 8.236 12.575 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.771 8.616 14.289 1.00 0.00 H new ATOM 285 N LYS A 20 -10.697 13.426 10.999 1.00 0.00 N ATOM 286 CA LYS A 20 -11.946 14.212 10.791 1.00 0.00 C ATOM 287 C LYS A 20 -12.951 13.604 9.760 1.00 0.00 C ATOM 288 O LYS A 20 -14.161 13.688 9.993 1.00 0.00 O ATOM 289 CB LYS A 20 -11.589 15.690 10.460 1.00 0.00 C ATOM 290 CG LYS A 20 -12.654 16.704 10.934 1.00 0.00 C ATOM 291 CD LYS A 20 -12.236 18.173 10.724 1.00 0.00 C ATOM 292 CE LYS A 20 -13.264 19.164 11.295 1.00 0.00 C ATOM 293 NZ LYS A 20 -12.825 20.560 11.113 1.00 0.00 N ATOM 0 H LYS A 20 -9.853 13.904 10.683 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.492 14.169 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.633 15.937 10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.457 15.791 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.585 16.519 10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.857 16.539 11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.269 18.344 11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.107 18.362 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.226 19.016 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.414 18.964 12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.540 21.203 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.919 20.706 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.706 20.757 10.099 1.00 0.00 H new ATOM 307 N ALA A 21 -12.469 12.978 8.660 1.00 0.00 N ATOM 308 CA ALA A 21 -13.330 12.221 7.714 1.00 0.00 C ATOM 309 C ALA A 21 -14.011 10.940 8.289 1.00 0.00 C ATOM 310 O ALA A 21 -15.202 10.735 8.035 1.00 0.00 O ATOM 311 CB ALA A 21 -12.513 11.896 6.448 1.00 0.00 C ATOM 0 H ALA A 21 -11.482 12.982 8.403 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.172 12.874 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.135 11.340 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.180 12.823 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.646 11.294 6.719 1.00 0.00 H new ATOM 317 N ILE A 22 -13.283 10.104 9.060 1.00 0.00 N ATOM 318 CA ILE A 22 -13.848 8.878 9.702 1.00 0.00 C ATOM 319 C ILE A 22 -14.826 9.126 10.904 1.00 0.00 C ATOM 320 O ILE A 22 -15.722 8.297 11.094 1.00 0.00 O ATOM 321 CB ILE A 22 -12.743 7.812 10.048 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.733 8.270 11.142 1.00 0.00 C ATOM 323 CG2 ILE A 22 -12.019 7.290 8.780 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.780 7.197 11.683 1.00 0.00 C ATOM 0 H ILE A 22 -12.293 10.250 9.259 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.486 8.458 8.925 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.287 6.977 10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.134 9.085 10.735 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.299 8.678 11.980 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.265 6.557 9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.744 6.823 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.538 8.123 8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.127 7.637 12.437 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.358 6.389 12.131 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.176 6.802 10.866 1.00 0.00 H new ATOM 336 N GLY A 23 -14.657 10.189 11.721 1.00 0.00 N ATOM 337 CA GLY A 23 -15.444 10.347 12.969 1.00 0.00 C ATOM 338 C GLY A 23 -15.030 11.484 13.927 1.00 0.00 C ATOM 339 O GLY A 23 -15.897 12.255 14.345 1.00 0.00 O ATOM 0 H GLY A 23 -13.992 10.942 11.544 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.487 10.501 12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.396 9.408 13.520 1.00 0.00 H new ATOM 343 N LEU A 24 -13.745 11.543 14.331 1.00 0.00 N ATOM 344 CA LEU A 24 -13.271 12.363 15.485 1.00 0.00 C ATOM 345 C LEU A 24 -13.559 13.908 15.377 1.00 0.00 C ATOM 346 O LEU A 24 -13.461 14.446 14.268 1.00 0.00 O ATOM 347 CB LEU A 24 -11.734 12.180 15.702 1.00 0.00 C ATOM 348 CG LEU A 24 -11.146 10.850 16.249 1.00 0.00 C ATOM 349 CD1 LEU A 24 -11.686 10.467 17.640 1.00 0.00 C ATOM 350 CD2 LEU A 24 -11.232 9.676 15.261 1.00 0.00 C ATOM 0 H LEU A 24 -12.997 11.025 13.870 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.850 11.986 16.328 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.254 12.368 14.742 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.413 12.971 16.380 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.084 11.062 16.373 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.233 9.529 17.960 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.439 11.252 18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.768 10.349 17.590 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.801 8.785 15.717 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.276 9.487 15.010 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.680 9.923 14.354 1.00 0.00 H new ATOM 362 N PRO A 25 -13.860 14.658 16.481 1.00 0.00 N ATOM 363 CA PRO A 25 -13.979 16.140 16.452 1.00 0.00 C ATOM 364 C PRO A 25 -12.605 16.878 16.424 1.00 0.00 C ATOM 365 O PRO A 25 -11.559 16.302 16.744 1.00 0.00 O ATOM 366 CB PRO A 25 -14.758 16.406 17.758 1.00 0.00 C ATOM 367 CG PRO A 25 -14.307 15.312 18.727 1.00 0.00 C ATOM 368 CD PRO A 25 -14.084 14.094 17.830 1.00 0.00 C ATOM 0 HA PRO A 25 -14.464 16.514 15.550 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.536 17.397 18.153 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.834 16.363 17.590 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.394 15.594 19.251 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.063 15.115 19.487 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.226 13.509 18.162 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.948 13.429 17.843 1.00 0.00 H new ATOM 376 N GLU A 26 -12.636 18.182 16.096 1.00 0.00 N ATOM 377 CA GLU A 26 -11.433 19.067 16.146 1.00 0.00 C ATOM 378 C GLU A 26 -10.721 19.195 17.539 1.00 0.00 C ATOM 379 O GLU A 26 -9.499 19.336 17.564 1.00 0.00 O ATOM 380 CB GLU A 26 -11.817 20.447 15.545 1.00 0.00 C ATOM 381 CG GLU A 26 -10.618 21.344 15.165 1.00 0.00 C ATOM 382 CD GLU A 26 -11.045 22.667 14.528 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.185 22.724 13.286 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.244 23.658 15.267 1.00 0.00 O ATOM 0 H GLU A 26 -13.483 18.660 15.790 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.664 18.582 15.546 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.427 20.284 14.656 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.438 20.981 16.264 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.027 21.550 16.058 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.972 20.805 14.472 1.00 0.00 H new ATOM 391 N GLU A 27 -11.447 19.107 18.676 1.00 0.00 N ATOM 392 CA GLU A 27 -10.846 19.052 20.044 1.00 0.00 C ATOM 393 C GLU A 27 -9.854 17.864 20.262 1.00 0.00 C ATOM 394 O GLU A 27 -8.705 18.096 20.648 1.00 0.00 O ATOM 395 CB GLU A 27 -11.959 19.034 21.135 1.00 0.00 C ATOM 396 CG GLU A 27 -12.740 20.345 21.375 1.00 0.00 C ATOM 397 CD GLU A 27 -13.739 20.733 20.276 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.827 20.120 20.203 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.437 21.649 19.479 1.00 0.00 O ATOM 0 H GLU A 27 -12.466 19.072 18.680 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.251 19.960 20.137 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.677 18.258 20.871 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.501 18.737 22.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.280 20.258 22.318 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.023 21.158 21.493 1.00 0.00 H new ATOM 406 N LEU A 28 -10.296 16.619 19.999 1.00 0.00 N ATOM 407 CA LEU A 28 -9.457 15.396 20.149 1.00 0.00 C ATOM 408 C LEU A 28 -8.330 15.212 19.084 1.00 0.00 C ATOM 409 O LEU A 28 -7.247 14.745 19.439 1.00 0.00 O ATOM 410 CB LEU A 28 -10.375 14.142 20.207 1.00 0.00 C ATOM 411 CG LEU A 28 -11.454 14.071 21.331 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.226 12.739 21.260 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.900 14.293 22.755 1.00 0.00 C ATOM 0 H LEU A 28 -11.244 16.424 19.676 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.915 15.526 21.086 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.887 14.059 19.248 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.735 13.265 20.304 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.132 14.903 21.139 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.974 12.709 22.052 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.720 12.656 20.292 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.531 11.909 21.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.714 14.228 23.477 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.155 13.530 22.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.439 15.279 22.816 1.00 0.00 H new ATOM 425 N ILE A 29 -8.560 15.596 17.812 1.00 0.00 N ATOM 426 CA ILE A 29 -7.512 15.651 16.746 1.00 0.00 C ATOM 427 C ILE A 29 -6.365 16.656 17.098 1.00 0.00 C ATOM 428 O ILE A 29 -5.207 16.240 17.151 1.00 0.00 O ATOM 429 CB ILE A 29 -8.176 15.927 15.348 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.234 14.858 14.946 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.147 16.060 14.196 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.191 15.292 13.831 1.00 0.00 C ATOM 0 H ILE A 29 -9.482 15.881 17.483 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.026 14.677 16.686 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.677 16.885 15.486 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.715 13.954 14.629 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.820 14.597 15.827 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.672 16.250 13.260 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.470 16.888 14.407 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.575 15.136 14.111 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.892 14.485 13.618 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.743 16.177 14.149 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.620 15.524 12.932 1.00 0.00 H new ATOM 444 N GLN A 30 -6.669 17.947 17.349 1.00 0.00 N ATOM 445 CA GLN A 30 -5.651 18.953 17.777 1.00 0.00 C ATOM 446 C GLN A 30 -4.898 18.628 19.113 1.00 0.00 C ATOM 447 O GLN A 30 -3.711 18.954 19.213 1.00 0.00 O ATOM 448 CB GLN A 30 -6.268 20.380 17.814 1.00 0.00 C ATOM 449 CG GLN A 30 -6.861 20.939 16.494 1.00 0.00 C ATOM 450 CD GLN A 30 -5.848 21.206 15.369 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.126 22.202 15.390 1.00 0.00 O ATOM 452 NE2 GLN A 30 -5.787 20.345 14.364 1.00 0.00 N ATOM 0 H GLN A 30 -7.612 18.326 17.265 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.876 18.905 17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.057 20.386 18.566 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.497 21.071 18.155 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.608 20.235 16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.382 21.870 16.717 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.391 19.523 14.359 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.136 20.504 13.595 1.00 0.00 H new ATOM 461 N LYS A 31 -5.539 17.939 20.086 1.00 0.00 N ATOM 462 CA LYS A 31 -4.828 17.245 21.199 1.00 0.00 C ATOM 463 C LYS A 31 -4.471 15.778 20.779 1.00 0.00 C ATOM 464 O LYS A 31 -5.049 14.799 21.265 1.00 0.00 O ATOM 465 CB LYS A 31 -5.709 17.290 22.480 1.00 0.00 C ATOM 466 CG LYS A 31 -5.943 18.692 23.092 1.00 0.00 C ATOM 467 CD LYS A 31 -6.855 18.704 24.335 1.00 0.00 C ATOM 468 CE LYS A 31 -8.350 18.467 24.037 1.00 0.00 C ATOM 469 NZ LYS A 31 -9.165 18.551 25.262 1.00 0.00 N ATOM 0 H LYS A 31 -6.554 17.846 20.127 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.889 17.754 21.418 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.679 16.851 22.246 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.247 16.657 23.238 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.978 19.123 23.361 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.380 19.338 22.331 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.511 17.938 25.030 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.746 19.664 24.840 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.700 19.205 23.315 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.480 17.486 23.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.164 18.387 25.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.847 17.830 25.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.060 19.495 25.685 1.00 0.00 H new ATOM 483 N GLY A 32 -3.507 15.652 19.853 1.00 0.00 N ATOM 484 CA GLY A 32 -3.231 14.380 19.145 1.00 0.00 C ATOM 485 C GLY A 32 -2.208 14.464 17.987 1.00 0.00 C ATOM 486 O GLY A 32 -1.464 13.502 17.782 1.00 0.00 O ATOM 0 H GLY A 32 -2.898 16.420 19.571 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.870 13.652 19.872 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.170 13.995 18.748 1.00 0.00 H new ATOM 490 N LYS A 33 -2.187 15.575 17.217 1.00 0.00 N ATOM 491 CA LYS A 33 -1.323 15.738 16.014 1.00 0.00 C ATOM 492 C LYS A 33 0.220 15.711 16.245 1.00 0.00 C ATOM 493 O LYS A 33 0.911 15.016 15.495 1.00 0.00 O ATOM 494 CB LYS A 33 -1.796 16.941 15.151 1.00 0.00 C ATOM 495 CG LYS A 33 -1.708 18.349 15.786 1.00 0.00 C ATOM 496 CD LYS A 33 -2.040 19.469 14.785 1.00 0.00 C ATOM 497 CE LYS A 33 -1.895 20.871 15.403 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.117 21.924 14.398 1.00 0.00 N ATOM 0 H LYS A 33 -2.769 16.390 17.409 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.472 14.819 15.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.209 16.948 14.232 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.833 16.764 14.866 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.394 18.406 16.631 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.704 18.504 16.180 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.382 19.386 13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.060 19.338 14.423 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.609 20.987 16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.899 20.980 15.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.480 22.724 14.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.924 21.545 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.104 22.248 14.447 1.00 0.00 H new ATOM 512 N ASP A 34 0.751 16.417 17.267 1.00 0.00 N ATOM 513 CA ASP A 34 2.136 16.173 17.773 1.00 0.00 C ATOM 514 C ASP A 34 2.131 15.636 19.242 1.00 0.00 C ATOM 515 O ASP A 34 2.860 16.120 20.115 1.00 0.00 O ATOM 516 CB ASP A 34 2.974 17.456 17.529 1.00 0.00 C ATOM 517 CG ASP A 34 4.494 17.263 17.648 1.00 0.00 C ATOM 518 OD1 ASP A 34 5.111 16.720 16.704 1.00 0.00 O ATOM 519 OD2 ASP A 34 5.076 17.652 18.686 1.00 0.00 O ATOM 0 H ASP A 34 0.252 17.157 17.760 1.00 0.00 H new ATOM 0 HA ASP A 34 2.621 15.368 17.221 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.747 17.838 16.534 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.661 18.219 18.242 1.00 0.00 H new ATOM 524 N ILE A 35 1.343 14.569 19.474 1.00 0.00 N ATOM 525 CA ILE A 35 1.432 13.706 20.683 1.00 0.00 C ATOM 526 C ILE A 35 1.538 12.281 20.065 1.00 0.00 C ATOM 527 O ILE A 35 0.527 11.659 19.715 1.00 0.00 O ATOM 528 CB ILE A 35 0.234 13.889 21.682 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.019 15.368 22.125 1.00 0.00 C ATOM 530 CG2 ILE A 35 0.408 12.968 22.920 1.00 0.00 C ATOM 531 CD1 ILE A 35 -1.249 15.654 22.945 1.00 0.00 C ATOM 0 H ILE A 35 0.616 14.273 18.823 1.00 0.00 H new ATOM 0 HA ILE A 35 2.278 13.951 21.326 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.665 13.597 21.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.884 15.679 22.712 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.002 15.993 21.232 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.432 13.110 23.600 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.442 11.927 22.597 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.336 13.219 23.433 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.289 16.714 23.195 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.129 15.385 22.360 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.229 15.066 23.862 1.00 0.00 H new ATOM 543 N LYS A 36 2.784 11.807 19.888 1.00 0.00 N ATOM 544 CA LYS A 36 3.091 10.645 19.017 1.00 0.00 C ATOM 545 C LYS A 36 3.192 9.361 19.884 1.00 0.00 C ATOM 546 O LYS A 36 4.044 9.261 20.774 1.00 0.00 O ATOM 547 CB LYS A 36 4.390 10.937 18.219 1.00 0.00 C ATOM 548 CG LYS A 36 4.218 11.979 17.085 1.00 0.00 C ATOM 549 CD LYS A 36 5.511 12.346 16.329 1.00 0.00 C ATOM 550 CE LYS A 36 6.502 13.196 17.149 1.00 0.00 C ATOM 551 NZ LYS A 36 7.669 13.594 16.343 1.00 0.00 N ATOM 0 H LYS A 36 3.605 12.211 20.338 1.00 0.00 H new ATOM 0 HA LYS A 36 2.293 10.480 18.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.155 11.291 18.910 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.756 10.005 17.788 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.493 11.595 16.367 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.794 12.889 17.510 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.009 11.428 16.016 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.247 12.890 15.422 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.996 14.086 17.523 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.835 12.630 18.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.532 13.513 16.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.746 12.972 15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.554 14.579 16.028 1.00 0.00 H new ATOM 565 N GLY A 37 2.289 8.400 19.622 1.00 0.00 N ATOM 566 CA GLY A 37 2.103 7.226 20.497 1.00 0.00 C ATOM 567 C GLY A 37 3.045 6.040 20.229 1.00 0.00 C ATOM 568 O GLY A 37 3.294 5.664 19.081 1.00 0.00 O ATOM 0 H GLY A 37 1.674 8.412 18.809 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.233 7.543 21.532 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.074 6.880 20.396 1.00 0.00 H new ATOM 572 N VAL A 38 3.500 5.411 21.326 1.00 0.00 N ATOM 573 CA VAL A 38 4.308 4.162 21.275 1.00 0.00 C ATOM 574 C VAL A 38 3.314 2.976 21.089 1.00 0.00 C ATOM 575 O VAL A 38 2.518 2.680 21.987 1.00 0.00 O ATOM 576 CB VAL A 38 5.211 3.986 22.549 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.060 2.690 22.517 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.182 5.164 22.802 1.00 0.00 C ATOM 0 H VAL A 38 3.324 5.745 22.273 1.00 0.00 H new ATOM 0 HA VAL A 38 5.006 4.201 20.439 1.00 0.00 H new ATOM 0 HB VAL A 38 4.483 3.941 23.359 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.661 2.627 23.424 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.400 1.824 22.458 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.716 2.706 21.647 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.769 4.966 23.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.850 5.275 21.948 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.612 6.083 22.938 1.00 0.00 H new ATOM 588 N SER A 39 3.409 2.291 19.934 1.00 0.00 N ATOM 589 CA SER A 39 2.660 1.038 19.674 1.00 0.00 C ATOM 590 C SER A 39 3.414 -0.149 20.329 1.00 0.00 C ATOM 591 O SER A 39 4.470 -0.569 19.847 1.00 0.00 O ATOM 592 CB SER A 39 2.497 0.852 18.148 1.00 0.00 C ATOM 593 OG SER A 39 1.694 -0.289 17.860 1.00 0.00 O ATOM 0 H SER A 39 4.001 2.584 19.157 1.00 0.00 H new ATOM 0 HA SER A 39 1.663 1.084 20.112 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.040 1.742 17.715 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.477 0.739 17.684 1.00 0.00 H new ATOM 0 HG SER A 39 1.602 -0.388 16.889 1.00 0.00 H new ATOM 599 N GLU A 40 2.867 -0.658 21.446 1.00 0.00 N ATOM 600 CA GLU A 40 3.514 -1.731 22.243 1.00 0.00 C ATOM 601 C GLU A 40 2.914 -3.100 21.821 1.00 0.00 C ATOM 602 O GLU A 40 1.941 -3.574 22.415 1.00 0.00 O ATOM 603 CB GLU A 40 3.333 -1.390 23.747 1.00 0.00 C ATOM 604 CG GLU A 40 4.131 -2.303 24.700 1.00 0.00 C ATOM 605 CD GLU A 40 3.930 -1.925 26.169 1.00 0.00 C ATOM 606 OE1 GLU A 40 4.636 -1.019 26.663 1.00 0.00 O ATOM 607 OE2 GLU A 40 3.060 -2.529 26.835 1.00 0.00 O ATOM 0 H GLU A 40 1.973 -0.346 21.825 1.00 0.00 H new ATOM 0 HA GLU A 40 4.586 -1.800 22.060 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.636 -0.356 23.913 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.275 -1.457 23.999 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.826 -3.338 24.548 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.191 -2.244 24.454 1.00 0.00 H new ATOM 614 N ILE A 41 3.510 -3.719 20.782 1.00 0.00 N ATOM 615 CA ILE A 41 2.977 -4.965 20.162 1.00 0.00 C ATOM 616 C ILE A 41 3.595 -6.162 20.941 1.00 0.00 C ATOM 617 O ILE A 41 4.819 -6.293 21.035 1.00 0.00 O ATOM 618 CB ILE A 41 3.240 -5.049 18.614 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.819 -3.780 17.815 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.554 -6.307 18.014 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.274 -3.726 16.350 1.00 0.00 C ATOM 0 H ILE A 41 4.367 -3.379 20.347 1.00 0.00 H new ATOM 0 HA ILE A 41 1.890 -4.981 20.242 1.00 0.00 H new ATOM 0 HB ILE A 41 4.323 -5.121 18.509 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.732 -3.703 17.840 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.213 -2.904 18.330 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.746 -6.350 16.942 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.955 -7.202 18.490 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.479 -6.253 18.188 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.924 -2.800 15.894 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.362 -3.764 16.305 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.859 -4.576 15.808 1.00 0.00 H new ATOM 633 N VAL A 42 2.718 -7.025 21.477 1.00 0.00 N ATOM 634 CA VAL A 42 3.124 -8.216 22.275 1.00 0.00 C ATOM 635 C VAL A 42 2.789 -9.455 21.389 1.00 0.00 C ATOM 636 O VAL A 42 1.678 -9.992 21.452 1.00 0.00 O ATOM 637 CB VAL A 42 2.430 -8.205 23.684 1.00 0.00 C ATOM 638 CG1 VAL A 42 2.824 -9.427 24.547 1.00 0.00 C ATOM 639 CG2 VAL A 42 2.703 -6.929 24.519 1.00 0.00 C ATOM 0 H VAL A 42 1.708 -6.927 21.376 1.00 0.00 H new ATOM 0 HA VAL A 42 4.188 -8.230 22.512 1.00 0.00 H new ATOM 0 HB VAL A 42 1.368 -8.238 23.441 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.317 -9.371 25.510 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.530 -10.344 24.035 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.903 -9.429 24.704 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.187 -7.003 25.476 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.775 -6.829 24.691 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.339 -6.055 23.978 1.00 0.00 H new ATOM 649 N GLN A 43 3.764 -9.891 20.565 1.00 0.00 N ATOM 650 CA GLN A 43 3.592 -11.034 19.631 1.00 0.00 C ATOM 651 C GLN A 43 4.189 -12.309 20.285 1.00 0.00 C ATOM 652 O GLN A 43 5.401 -12.394 20.512 1.00 0.00 O ATOM 653 CB GLN A 43 4.237 -10.667 18.264 1.00 0.00 C ATOM 654 CG GLN A 43 4.053 -11.679 17.106 1.00 0.00 C ATOM 655 CD GLN A 43 5.044 -12.854 17.068 1.00 0.00 C ATOM 656 OE1 GLN A 43 4.712 -13.982 17.426 1.00 0.00 O ATOM 657 NE2 GLN A 43 6.269 -12.629 16.617 1.00 0.00 N ATOM 0 H GLN A 43 4.690 -9.466 20.525 1.00 0.00 H new ATOM 0 HA GLN A 43 2.541 -11.245 19.435 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.830 -9.708 17.944 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.306 -10.523 18.421 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.043 -12.084 17.162 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.127 -11.138 16.163 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.539 -11.691 16.321 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.942 -13.394 16.566 1.00 0.00 H new ATOM 666 N ASN A 44 3.318 -13.296 20.562 1.00 0.00 N ATOM 667 CA ASN A 44 3.727 -14.628 21.074 1.00 0.00 C ATOM 668 C ASN A 44 2.960 -15.692 20.243 1.00 0.00 C ATOM 669 O ASN A 44 1.781 -15.966 20.495 1.00 0.00 O ATOM 670 CB ASN A 44 3.463 -14.780 22.600 1.00 0.00 C ATOM 671 CG ASN A 44 4.369 -13.925 23.510 1.00 0.00 C ATOM 672 OD1 ASN A 44 5.587 -14.098 23.545 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.802 -12.991 24.256 1.00 0.00 N ATOM 0 H ASN A 44 2.310 -13.198 20.439 1.00 0.00 H new ATOM 0 HA ASN A 44 4.803 -14.759 20.959 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.424 -14.520 22.801 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.587 -15.828 22.872 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.375 -12.408 24.866 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.792 -12.854 24.221 1.00 0.00 H new ATOM 680 N GLY A 45 3.639 -16.259 19.226 1.00 0.00 N ATOM 681 CA GLY A 45 3.032 -17.227 18.285 1.00 0.00 C ATOM 682 C GLY A 45 1.999 -16.592 17.328 1.00 0.00 C ATOM 683 O GLY A 45 2.311 -15.643 16.600 1.00 0.00 O ATOM 0 H GLY A 45 4.621 -16.061 19.032 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.822 -17.693 17.696 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.548 -18.020 18.854 1.00 0.00 H new ATOM 687 N LYS A 46 0.764 -17.111 17.380 1.00 0.00 N ATOM 688 CA LYS A 46 -0.411 -16.481 16.712 1.00 0.00 C ATOM 689 C LYS A 46 -1.081 -15.289 17.474 1.00 0.00 C ATOM 690 O LYS A 46 -1.717 -14.468 16.811 1.00 0.00 O ATOM 691 CB LYS A 46 -1.443 -17.556 16.269 1.00 0.00 C ATOM 692 CG LYS A 46 -2.113 -18.409 17.371 1.00 0.00 C ATOM 693 CD LYS A 46 -3.197 -19.353 16.815 1.00 0.00 C ATOM 694 CE LYS A 46 -3.876 -20.186 17.917 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.909 -21.076 17.356 1.00 0.00 N ATOM 0 H LYS A 46 0.540 -17.972 17.879 1.00 0.00 H new ATOM 0 HA LYS A 46 0.003 -16.000 15.826 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.231 -17.053 15.709 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.944 -18.235 15.577 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.352 -18.998 17.882 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.559 -17.749 18.115 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.951 -18.766 16.291 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.749 -20.023 16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.127 -20.780 18.441 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.327 -19.521 18.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.349 -21.624 18.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.635 -20.506 16.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.473 -21.726 16.672 1.00 0.00 H new ATOM 709 N HIS A 47 -0.970 -15.179 18.818 1.00 0.00 N ATOM 710 CA HIS A 47 -1.616 -14.093 19.608 1.00 0.00 C ATOM 711 C HIS A 47 -0.822 -12.754 19.538 1.00 0.00 C ATOM 712 O HIS A 47 0.411 -12.718 19.563 1.00 0.00 O ATOM 713 CB HIS A 47 -1.808 -14.543 21.087 1.00 0.00 C ATOM 714 CG HIS A 47 -3.090 -15.341 21.355 1.00 0.00 C ATOM 715 ND1 HIS A 47 -4.197 -14.830 22.011 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.345 -16.668 20.965 1.00 0.00 C ATOM 717 CE1 HIS A 47 -5.031 -15.912 21.950 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.619 -17.071 21.340 1.00 0.00 N ATOM 0 H HIS A 47 -0.434 -15.834 19.387 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.593 -13.904 19.162 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.951 -15.149 21.382 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.807 -13.659 21.724 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.639 -17.294 20.440 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.018 -15.855 22.384 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.102 -17.959 21.204 1.00 0.00 H new ATOM 726 N PHE A 48 -1.595 -11.662 19.459 1.00 0.00 N ATOM 727 CA PHE A 48 -1.088 -10.267 19.341 1.00 0.00 C ATOM 728 C PHE A 48 -1.883 -9.343 20.313 1.00 0.00 C ATOM 729 O PHE A 48 -3.098 -9.497 20.488 1.00 0.00 O ATOM 730 CB PHE A 48 -1.272 -9.756 17.884 1.00 0.00 C ATOM 731 CG PHE A 48 -0.208 -10.182 16.857 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.283 -11.429 16.227 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.749 -9.258 16.426 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.585 -11.748 15.186 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.595 -9.566 15.365 1.00 0.00 C ATOM 736 CZ PHE A 48 1.515 -10.811 14.746 1.00 0.00 C ATOM 0 H PHE A 48 -2.614 -11.713 19.475 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.029 -10.250 19.597 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.244 -10.095 17.526 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.303 -8.667 17.908 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.020 -12.150 16.551 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.832 -8.301 16.919 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.537 -12.721 14.721 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.315 -8.838 15.021 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.175 -11.049 13.925 1.00 0.00 H new ATOM 746 N LYS A 49 -1.198 -8.341 20.899 1.00 0.00 N ATOM 747 CA LYS A 49 -1.850 -7.297 21.739 1.00 0.00 C ATOM 748 C LYS A 49 -1.072 -5.970 21.533 1.00 0.00 C ATOM 749 O LYS A 49 0.023 -5.810 22.077 1.00 0.00 O ATOM 750 CB LYS A 49 -1.919 -7.755 23.228 1.00 0.00 C ATOM 751 CG LYS A 49 -2.885 -6.987 24.163 1.00 0.00 C ATOM 752 CD LYS A 49 -2.511 -5.545 24.584 1.00 0.00 C ATOM 753 CE LYS A 49 -1.164 -5.337 25.311 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.072 -6.034 26.608 1.00 0.00 N ATOM 0 H LYS A 49 -0.188 -8.226 20.810 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.886 -7.136 21.440 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.200 -8.808 23.244 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.916 -7.686 23.649 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.859 -6.948 23.675 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.007 -7.577 25.071 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.508 -4.924 23.688 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.303 -5.168 25.231 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.357 -5.683 24.666 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.009 -4.270 25.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.143 -5.849 27.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.821 -5.688 27.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.188 -7.057 26.461 1.00 0.00 H new ATOM 768 N PHE A 50 -1.649 -5.023 20.764 1.00 0.00 N ATOM 769 CA PHE A 50 -1.019 -3.699 20.490 1.00 0.00 C ATOM 770 C PHE A 50 -1.761 -2.551 21.228 1.00 0.00 C ATOM 771 O PHE A 50 -2.989 -2.465 21.165 1.00 0.00 O ATOM 772 CB PHE A 50 -0.837 -3.465 18.965 1.00 0.00 C ATOM 773 CG PHE A 50 -2.048 -3.146 18.066 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.837 -4.170 17.530 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.308 -1.821 17.700 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.859 -3.871 16.630 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.336 -1.524 16.807 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.105 -2.549 16.267 1.00 0.00 C ATOM 0 H PHE A 50 -2.557 -5.145 20.316 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.011 -3.702 20.906 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.127 -2.646 18.849 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.362 -4.358 18.558 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.654 -5.196 17.815 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.708 -1.023 18.112 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.461 -4.665 16.214 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.535 -0.498 16.535 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.894 -2.320 15.566 1.00 0.00 H new ATOM 788 N THR A 51 -1.010 -1.666 21.912 1.00 0.00 N ATOM 789 CA THR A 51 -1.596 -0.530 22.680 1.00 0.00 C ATOM 790 C THR A 51 -0.861 0.766 22.241 1.00 0.00 C ATOM 791 O THR A 51 0.309 0.967 22.579 1.00 0.00 O ATOM 792 CB THR A 51 -1.543 -0.806 24.213 1.00 0.00 C ATOM 793 OG1 THR A 51 -2.263 -2.000 24.508 1.00 0.00 O ATOM 794 CG2 THR A 51 -2.147 0.317 25.072 1.00 0.00 C ATOM 0 H THR A 51 0.008 -1.709 21.953 1.00 0.00 H new ATOM 0 HA THR A 51 -2.657 -0.407 22.461 1.00 0.00 H new ATOM 0 HB THR A 51 -0.484 -0.885 24.460 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.228 -2.174 25.472 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.072 0.049 26.126 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.603 1.244 24.893 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.195 0.455 24.806 1.00 0.00 H new ATOM 802 N ILE A 52 -1.577 1.639 21.505 1.00 0.00 N ATOM 803 CA ILE A 52 -1.011 2.899 20.937 1.00 0.00 C ATOM 804 C ILE A 52 -1.451 4.064 21.875 1.00 0.00 C ATOM 805 O ILE A 52 -2.648 4.279 22.092 1.00 0.00 O ATOM 806 CB ILE A 52 -1.439 3.153 19.443 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.237 1.914 18.516 1.00 0.00 C ATOM 808 CG2 ILE A 52 -0.693 4.384 18.856 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.722 2.037 17.064 1.00 0.00 C ATOM 0 H ILE A 52 -2.563 1.500 21.283 1.00 0.00 H new ATOM 0 HA ILE A 52 0.076 2.823 20.898 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.510 3.352 19.471 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.174 1.676 18.498 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.746 1.065 18.971 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.005 4.540 17.823 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.932 5.269 19.445 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.382 4.207 18.888 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.521 1.107 16.533 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.794 2.236 17.054 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.196 2.856 16.573 1.00 0.00 H new ATOM 821 N THR A 53 -0.470 4.838 22.375 1.00 0.00 N ATOM 822 CA THR A 53 -0.732 6.003 23.278 1.00 0.00 C ATOM 823 C THR A 53 -0.866 7.350 22.484 1.00 0.00 C ATOM 824 O THR A 53 -0.097 8.293 22.696 1.00 0.00 O ATOM 825 CB THR A 53 0.348 6.052 24.408 1.00 0.00 C ATOM 826 OG1 THR A 53 1.653 6.227 23.864 1.00 0.00 O ATOM 827 CG2 THR A 53 0.386 4.833 25.349 1.00 0.00 C ATOM 0 H THR A 53 0.519 4.687 22.175 1.00 0.00 H new ATOM 0 HA THR A 53 -1.701 5.865 23.758 1.00 0.00 H new ATOM 0 HB THR A 53 0.042 6.907 25.011 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.309 6.256 24.591 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.170 4.972 26.093 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.576 4.731 25.851 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.591 3.933 24.770 1.00 0.00 H new ATOM 835 N ALA A 54 -1.862 7.445 21.574 1.00 0.00 N ATOM 836 CA ALA A 54 -2.019 8.605 20.658 1.00 0.00 C ATOM 837 C ALA A 54 -2.979 9.662 21.263 1.00 0.00 C ATOM 838 O ALA A 54 -4.170 9.395 21.462 1.00 0.00 O ATOM 839 CB ALA A 54 -2.534 8.102 19.297 1.00 0.00 C ATOM 0 H ALA A 54 -2.576 6.727 21.452 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.053 9.090 20.518 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.652 8.946 18.618 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.819 7.395 18.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.496 7.608 19.432 1.00 0.00 H new ATOM 845 N GLY A 55 -2.437 10.859 21.562 1.00 0.00 N ATOM 846 CA GLY A 55 -3.221 11.966 22.155 1.00 0.00 C ATOM 847 C GLY A 55 -3.533 11.774 23.652 1.00 0.00 C ATOM 848 O GLY A 55 -2.662 11.404 24.446 1.00 0.00 O ATOM 0 H GLY A 55 -1.456 11.087 21.403 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.672 12.898 22.024 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.158 12.069 21.608 1.00 0.00 H new ATOM 852 N SER A 56 -4.806 12.000 24.001 1.00 0.00 N ATOM 853 CA SER A 56 -5.375 11.566 25.308 1.00 0.00 C ATOM 854 C SER A 56 -5.739 10.043 25.399 1.00 0.00 C ATOM 855 O SER A 56 -5.678 9.484 26.498 1.00 0.00 O ATOM 856 CB SER A 56 -6.597 12.463 25.615 1.00 0.00 C ATOM 857 OG SER A 56 -7.087 12.232 26.931 1.00 0.00 O ATOM 0 H SER A 56 -5.474 12.483 23.401 1.00 0.00 H new ATOM 0 HA SER A 56 -4.597 11.687 26.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.318 13.511 25.507 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.387 12.266 24.890 1.00 0.00 H new ATOM 0 HG SER A 56 -7.858 12.813 27.100 1.00 0.00 H new ATOM 863 N LYS A 57 -6.132 9.390 24.283 1.00 0.00 N ATOM 864 CA LYS A 57 -6.678 8.011 24.281 1.00 0.00 C ATOM 865 C LYS A 57 -5.528 6.968 24.238 1.00 0.00 C ATOM 866 O LYS A 57 -4.680 6.983 23.336 1.00 0.00 O ATOM 867 CB LYS A 57 -7.635 7.792 23.074 1.00 0.00 C ATOM 868 CG LYS A 57 -9.020 8.481 23.104 1.00 0.00 C ATOM 869 CD LYS A 57 -9.094 10.021 22.968 1.00 0.00 C ATOM 870 CE LYS A 57 -8.720 10.633 21.602 1.00 0.00 C ATOM 871 NZ LYS A 57 -7.274 10.688 21.318 1.00 0.00 N ATOM 0 H LYS A 57 -6.080 9.805 23.353 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.245 7.876 25.202 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.117 8.124 22.174 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.799 6.719 22.970 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.619 8.050 22.302 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.502 8.210 24.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.111 10.332 23.209 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.440 10.457 23.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.207 10.055 20.817 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.124 11.644 21.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.098 11.355 20.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.765 11.006 22.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.937 9.742 21.046 1.00 0.00 H new ATOM 885 N VAL A 58 -5.559 6.035 25.204 1.00 0.00 N ATOM 886 CA VAL A 58 -4.674 4.835 25.217 1.00 0.00 C ATOM 887 C VAL A 58 -5.543 3.690 24.616 1.00 0.00 C ATOM 888 O VAL A 58 -6.399 3.116 25.299 1.00 0.00 O ATOM 889 CB VAL A 58 -4.124 4.563 26.661 1.00 0.00 C ATOM 890 CG1 VAL A 58 -3.294 3.262 26.758 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.259 5.725 27.211 1.00 0.00 C ATOM 0 H VAL A 58 -6.194 6.082 26.001 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.768 4.952 24.622 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.024 4.464 27.268 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.942 3.130 27.781 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.915 2.412 26.476 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.439 3.325 26.085 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.909 5.476 28.213 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.402 5.882 26.556 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.857 6.636 27.252 1.00 0.00 H new ATOM 901 N ILE A 59 -5.339 3.408 23.316 1.00 0.00 N ATOM 902 CA ILE A 59 -6.279 2.587 22.502 1.00 0.00 C ATOM 903 C ILE A 59 -5.769 1.117 22.576 1.00 0.00 C ATOM 904 O ILE A 59 -4.817 0.746 21.881 1.00 0.00 O ATOM 905 CB ILE A 59 -6.415 3.147 21.036 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.865 4.642 20.970 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.394 2.287 20.191 1.00 0.00 C ATOM 908 CD1 ILE A 59 -6.667 5.336 19.614 1.00 0.00 C ATOM 0 H ILE A 59 -4.526 3.736 22.795 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.295 2.630 22.895 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.409 3.090 20.620 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.921 4.697 21.235 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.317 5.202 21.728 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.466 2.700 19.185 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.025 1.263 20.137 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.379 2.294 20.657 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.012 6.368 19.680 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.610 5.323 19.349 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.239 4.810 18.849 1.00 0.00 H new ATOM 920 N GLN A 60 -6.427 0.302 23.422 1.00 0.00 N ATOM 921 CA GLN A 60 -6.036 -1.113 23.652 1.00 0.00 C ATOM 922 C GLN A 60 -6.747 -2.041 22.631 1.00 0.00 C ATOM 923 O GLN A 60 -7.976 -2.056 22.510 1.00 0.00 O ATOM 924 CB GLN A 60 -6.351 -1.539 25.112 1.00 0.00 C ATOM 925 CG GLN A 60 -5.341 -1.007 26.155 1.00 0.00 C ATOM 926 CD GLN A 60 -5.740 -1.311 27.605 1.00 0.00 C ATOM 927 OE1 GLN A 60 -6.537 -0.596 28.211 1.00 0.00 O ATOM 928 NE2 GLN A 60 -5.194 -2.364 28.195 1.00 0.00 N ATOM 0 H GLN A 60 -7.239 0.597 23.964 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.960 -1.206 23.504 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.348 -1.187 25.375 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.373 -2.627 25.165 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.362 -1.444 25.957 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.239 0.071 26.033 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.534 -2.950 27.683 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.433 -2.589 29.161 1.00 0.00 H new ATOM 937 N ASN A 61 -5.917 -2.805 21.908 1.00 0.00 N ATOM 938 CA ASN A 61 -6.349 -3.690 20.797 1.00 0.00 C ATOM 939 C ASN A 61 -5.791 -5.123 21.046 1.00 0.00 C ATOM 940 O ASN A 61 -4.693 -5.295 21.587 1.00 0.00 O ATOM 941 CB ASN A 61 -5.804 -3.133 19.454 1.00 0.00 C ATOM 942 CG ASN A 61 -6.309 -1.744 19.020 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.660 -0.729 19.269 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.454 -1.671 18.367 1.00 0.00 N ATOM 0 H ASN A 61 -4.911 -2.832 22.074 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.437 -3.728 20.750 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.717 -3.094 19.519 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.050 -3.845 18.666 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.811 -0.765 18.062 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.982 -2.520 18.167 1.00 0.00 H new ATOM 951 N GLU A 62 -6.552 -6.154 20.631 1.00 0.00 N ATOM 952 CA GLU A 62 -6.133 -7.574 20.767 1.00 0.00 C ATOM 953 C GLU A 62 -6.697 -8.345 19.547 1.00 0.00 C ATOM 954 O GLU A 62 -7.915 -8.397 19.333 1.00 0.00 O ATOM 955 CB GLU A 62 -6.607 -8.171 22.127 1.00 0.00 C ATOM 956 CG GLU A 62 -5.901 -9.465 22.604 1.00 0.00 C ATOM 957 CD GLU A 62 -6.182 -10.747 21.802 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.366 -11.083 21.581 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.214 -11.427 21.394 1.00 0.00 O ATOM 0 H GLU A 62 -7.467 -6.035 20.195 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.046 -7.659 20.774 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.477 -7.410 22.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.676 -8.373 22.056 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.826 -9.288 22.595 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.186 -9.644 23.641 1.00 0.00 H new ATOM 966 N PHE A 63 -5.789 -8.973 18.778 1.00 0.00 N ATOM 967 CA PHE A 63 -6.156 -9.916 17.688 1.00 0.00 C ATOM 968 C PHE A 63 -5.383 -11.259 17.805 1.00 0.00 C ATOM 969 O PHE A 63 -4.392 -11.385 18.527 1.00 0.00 O ATOM 970 CB PHE A 63 -6.027 -9.244 16.290 1.00 0.00 C ATOM 971 CG PHE A 63 -4.618 -8.893 15.766 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.900 -9.814 14.993 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.068 -7.630 16.007 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.666 -9.465 14.453 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.834 -7.285 15.462 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.138 -8.199 14.682 1.00 0.00 C ATOM 0 H PHE A 63 -4.783 -8.847 18.888 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.209 -10.173 17.803 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.496 -9.904 15.561 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.611 -8.324 16.310 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.306 -10.799 14.815 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.603 -6.919 16.619 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.118 -10.178 13.855 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.418 -6.306 15.646 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.185 -7.926 14.253 1.00 0.00 H new ATOM 986 N THR A 64 -5.848 -12.260 17.040 1.00 0.00 N ATOM 987 CA THR A 64 -5.119 -13.540 16.845 1.00 0.00 C ATOM 988 C THR A 64 -5.200 -13.860 15.324 1.00 0.00 C ATOM 989 O THR A 64 -6.282 -13.828 14.725 1.00 0.00 O ATOM 990 CB THR A 64 -5.692 -14.669 17.752 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.763 -14.237 19.110 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.837 -15.940 17.741 1.00 0.00 C ATOM 0 H THR A 64 -6.735 -12.213 16.538 1.00 0.00 H new ATOM 0 HA THR A 64 -4.075 -13.461 17.147 1.00 0.00 H new ATOM 0 HB THR A 64 -6.678 -14.892 17.344 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.126 -14.959 19.664 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.289 -16.688 18.392 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.779 -16.330 16.725 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.834 -15.707 18.098 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.044 -14.170 14.703 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.942 -14.358 13.224 1.00 0.00 C ATOM 1002 C VAL A 65 -4.643 -15.666 12.743 1.00 0.00 C ATOM 1003 O VAL A 65 -4.474 -16.740 13.333 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.483 -14.227 12.666 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.966 -12.776 12.742 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.441 -15.186 13.273 1.00 0.00 C ATOM 0 H VAL A 65 -3.160 -14.298 15.196 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.491 -13.522 12.791 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.588 -14.533 11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.952 -12.730 12.345 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.615 -12.127 12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.965 -12.444 13.780 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.469 -15.006 12.813 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.371 -15.015 14.347 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.744 -16.217 13.089 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.473 -15.525 11.694 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.444 -16.573 11.294 1.00 0.00 C ATOM 1018 C GLY A 66 -7.724 -16.763 12.153 1.00 0.00 C ATOM 1019 O GLY A 66 -8.336 -17.830 12.065 1.00 0.00 O ATOM 0 H GLY A 66 -5.495 -14.694 11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.759 -16.361 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.914 -17.525 11.273 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.129 -15.759 12.955 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.312 -15.832 13.850 1.00 0.00 C ATOM 1025 C GLU A 67 -10.000 -14.438 13.848 1.00 0.00 C ATOM 1026 O GLU A 67 -9.339 -13.395 13.931 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.919 -16.227 15.302 1.00 0.00 C ATOM 1028 CG GLU A 67 -8.430 -17.682 15.481 1.00 0.00 C ATOM 1029 CD GLU A 67 -8.120 -18.057 16.933 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -9.036 -18.011 17.784 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -6.959 -18.417 17.227 1.00 0.00 O ATOM 0 H GLU A 67 -7.643 -14.864 13.004 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.988 -16.604 13.482 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.134 -15.553 15.645 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.781 -16.068 15.950 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.190 -18.361 15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.534 -17.831 14.878 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.348 -14.438 13.798 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.160 -13.192 13.802 1.00 0.00 C ATOM 1040 C GLU A 68 -12.251 -12.637 15.252 1.00 0.00 C ATOM 1041 O GLU A 68 -12.954 -13.197 16.101 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.540 -13.489 13.152 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.388 -12.242 12.794 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.596 -11.992 13.705 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.449 -12.021 14.947 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.705 -11.756 13.178 1.00 0.00 O ATOM 0 H GLU A 68 -11.905 -15.291 13.754 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.693 -12.408 13.206 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.378 -14.070 12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.116 -14.116 13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.743 -11.363 12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.742 -12.345 11.768 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.475 -11.571 15.519 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.211 -11.082 16.896 1.00 0.00 C ATOM 1055 C CYS A 69 -11.561 -9.578 17.025 1.00 0.00 C ATOM 1056 O CYS A 69 -11.283 -8.761 16.139 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.734 -11.345 17.250 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.422 -13.140 17.335 1.00 0.00 S ATOM 0 H CYS A 69 -11.012 -11.022 14.794 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.846 -11.621 17.599 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.086 -10.890 16.501 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.492 -10.880 18.206 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.174 -13.350 17.632 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.166 -9.241 18.176 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.729 -7.896 18.458 1.00 0.00 C ATOM 1066 C GLU A 70 -11.637 -6.827 18.751 1.00 0.00 C ATOM 1067 O GLU A 70 -10.816 -6.998 19.659 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.817 -8.027 19.562 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.374 -8.537 20.957 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.540 -8.737 21.931 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -15.372 -9.643 21.702 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -14.623 -8.001 22.938 1.00 0.00 O ATOM 0 H GLU A 70 -12.283 -9.896 18.949 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.213 -7.512 17.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.279 -7.049 19.694 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.592 -8.698 19.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.843 -9.482 20.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.668 -7.827 21.388 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.627 -5.749 17.944 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.561 -4.714 17.976 1.00 0.00 C ATOM 1081 C LEU A 71 -11.221 -3.349 18.290 1.00 0.00 C ATOM 1082 O LEU A 71 -11.986 -2.821 17.478 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.809 -4.700 16.610 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.804 -5.872 16.402 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.535 -6.171 14.916 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.484 -5.577 17.134 1.00 0.00 C ATOM 0 H LEU A 71 -12.353 -5.566 17.251 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.824 -4.930 18.750 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.545 -4.725 15.806 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.269 -3.757 16.519 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.265 -6.764 16.825 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.828 -6.996 14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.469 -6.443 14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.117 -5.286 14.437 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.790 -6.404 16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.047 -4.659 16.741 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.678 -5.459 18.200 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.910 -2.779 19.474 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.497 -1.488 19.926 1.00 0.00 C ATOM 1100 C GLU A 72 -10.693 -0.310 19.307 1.00 0.00 C ATOM 1101 O GLU A 72 -9.621 0.050 19.801 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.554 -1.452 21.480 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.560 -0.447 22.089 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.209 1.036 21.918 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.207 1.498 22.508 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -12.933 1.745 21.184 1.00 0.00 O ATOM 0 H GLU A 72 -10.255 -3.190 20.139 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.525 -1.386 19.577 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.802 -2.450 21.840 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.559 -1.216 21.857 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.538 -0.624 21.640 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.655 -0.658 23.154 1.00 0.00 H new ATOM 1113 N THR A 73 -11.233 0.262 18.217 1.00 0.00 N ATOM 1114 CA THR A 73 -10.546 1.317 17.417 1.00 0.00 C ATOM 1115 C THR A 73 -10.961 2.755 17.875 1.00 0.00 C ATOM 1116 O THR A 73 -11.875 2.950 18.685 1.00 0.00 O ATOM 1117 CB THR A 73 -10.780 1.065 15.889 1.00 0.00 C ATOM 1118 OG1 THR A 73 -12.170 1.082 15.571 1.00 0.00 O ATOM 1119 CG2 THR A 73 -10.151 -0.231 15.338 1.00 0.00 C ATOM 0 H THR A 73 -12.155 0.014 17.858 1.00 0.00 H new ATOM 0 HA THR A 73 -9.473 1.255 17.597 1.00 0.00 H new ATOM 0 HB THR A 73 -10.263 1.891 15.400 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.288 0.924 14.611 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.368 -0.316 14.273 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.072 -0.204 15.488 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.569 -1.090 15.863 1.00 0.00 H new ATOM 1127 N MET A 74 -10.264 3.766 17.325 1.00 0.00 N ATOM 1128 CA MET A 74 -10.519 5.216 17.588 1.00 0.00 C ATOM 1129 C MET A 74 -11.975 5.774 17.433 1.00 0.00 C ATOM 1130 O MET A 74 -12.347 6.654 18.214 1.00 0.00 O ATOM 1131 CB MET A 74 -9.495 6.091 16.809 1.00 0.00 C ATOM 1132 CG MET A 74 -9.457 5.972 15.271 1.00 0.00 C ATOM 1133 SD MET A 74 -8.623 4.441 14.789 1.00 0.00 S ATOM 1134 CE MET A 74 -8.751 4.524 12.994 1.00 0.00 C ATOM 0 H MET A 74 -9.494 3.609 16.674 1.00 0.00 H new ATOM 0 HA MET A 74 -10.379 5.287 18.667 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.691 7.134 17.058 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.500 5.855 17.186 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.471 5.984 14.872 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.936 6.829 14.844 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.280 3.645 12.555 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.802 4.555 12.705 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.249 5.423 12.635 1.00 0.00 H new ATOM 1144 N THR A 75 -12.771 5.290 16.456 1.00 0.00 N ATOM 1145 CA THR A 75 -14.187 5.717 16.265 1.00 0.00 C ATOM 1146 C THR A 75 -15.097 4.471 16.029 1.00 0.00 C ATOM 1147 O THR A 75 -14.729 3.533 15.312 1.00 0.00 O ATOM 1148 CB THR A 75 -14.315 6.808 15.158 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.639 7.333 15.155 1.00 0.00 O ATOM 1150 CG2 THR A 75 -13.968 6.378 13.722 1.00 0.00 C ATOM 0 H THR A 75 -12.459 4.596 15.777 1.00 0.00 H new ATOM 0 HA THR A 75 -14.541 6.196 17.178 1.00 0.00 H new ATOM 0 HB THR A 75 -13.562 7.547 15.431 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.993 7.323 14.241 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.097 7.225 13.048 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.933 6.038 13.684 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.628 5.567 13.416 1.00 0.00 H new ATOM 1158 N GLY A 76 -16.305 4.512 16.617 1.00 0.00 N ATOM 1159 CA GLY A 76 -17.352 3.491 16.395 1.00 0.00 C ATOM 1160 C GLY A 76 -17.756 2.805 17.711 1.00 0.00 C ATOM 1161 O GLY A 76 -18.263 3.466 18.624 1.00 0.00 O ATOM 0 H GLY A 76 -16.586 5.252 17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -18.227 3.958 15.943 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.989 2.743 15.690 1.00 0.00 H new ATOM 1165 N GLU A 77 -17.552 1.480 17.779 1.00 0.00 N ATOM 1166 CA GLU A 77 -17.883 0.664 18.980 1.00 0.00 C ATOM 1167 C GLU A 77 -16.699 -0.317 19.215 1.00 0.00 C ATOM 1168 O GLU A 77 -15.762 0.038 19.938 1.00 0.00 O ATOM 1169 CB GLU A 77 -19.299 0.009 18.890 1.00 0.00 C ATOM 1170 CG GLU A 77 -20.494 0.981 18.994 1.00 0.00 C ATOM 1171 CD GLU A 77 -21.847 0.267 18.945 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -22.365 0.027 17.831 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -22.399 -0.058 20.019 1.00 0.00 O ATOM 0 H GLU A 77 -17.155 0.937 17.012 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.979 1.289 19.868 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -19.372 -0.527 17.944 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.387 -0.733 19.684 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -20.419 1.543 19.925 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -20.440 1.704 18.180 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.731 -1.526 18.616 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.648 -2.532 18.742 1.00 0.00 C ATOM 1182 C LYS A 78 -15.748 -3.448 17.491 1.00 0.00 C ATOM 1183 O LYS A 78 -16.578 -4.363 17.427 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.750 -3.301 20.090 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.484 -4.108 20.445 1.00 0.00 C ATOM 1186 CD LYS A 78 -14.566 -4.911 21.759 1.00 0.00 C ATOM 1187 CE LYS A 78 -14.642 -4.057 23.040 1.00 0.00 C ATOM 1188 NZ LYS A 78 -14.633 -4.898 24.250 1.00 0.00 N ATOM 0 H LYS A 78 -17.507 -1.835 18.031 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.663 -2.067 18.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.951 -2.588 20.890 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.602 -3.980 20.047 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.271 -4.798 19.629 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.640 -3.421 20.510 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.443 -5.557 21.718 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.694 -5.561 21.825 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.799 -3.367 23.069 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.549 -3.452 23.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.490 -4.711 24.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.611 -5.901 23.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.792 -4.676 24.821 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.899 -3.162 16.490 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.935 -3.814 15.154 1.00 0.00 C ATOM 1204 C VAL A 79 -14.222 -5.201 15.183 1.00 0.00 C ATOM 1205 O VAL A 79 -12.999 -5.280 15.319 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.401 -2.832 14.052 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.046 -2.140 14.342 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.348 -3.490 12.655 1.00 0.00 C ATOM 0 H VAL A 79 -14.158 -2.466 16.578 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.968 -4.034 14.884 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.148 -2.038 14.071 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.785 -1.488 13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.127 -1.548 15.254 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.271 -2.896 14.468 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.972 -2.770 11.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -13.686 -4.355 12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.349 -3.810 12.365 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.008 -6.273 14.980 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.493 -7.665 14.924 1.00 0.00 C ATOM 1220 C LYS A 80 -14.156 -8.085 13.468 1.00 0.00 C ATOM 1221 O LYS A 80 -15.040 -8.183 12.610 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.435 -8.628 15.695 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.905 -8.764 15.221 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.795 -9.635 16.135 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.145 -8.986 17.491 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.020 -9.854 18.296 1.00 0.00 N ATOM 0 H LYS A 80 -16.017 -6.206 14.850 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.538 -7.725 15.447 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.986 -9.621 15.670 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.451 -8.311 16.738 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.344 -7.769 15.149 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.912 -9.188 14.217 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.720 -9.866 15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.288 -10.582 16.319 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.229 -8.779 18.044 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.638 -8.029 17.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.235 -9.387 19.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.905 -10.031 17.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.539 -10.758 18.479 1.00 0.00 H new ATOM 1240 N THR A 81 -12.850 -8.290 13.210 1.00 0.00 N ATOM 1241 CA THR A 81 -12.310 -8.584 11.853 1.00 0.00 C ATOM 1242 C THR A 81 -11.136 -9.611 11.946 1.00 0.00 C ATOM 1243 O THR A 81 -10.332 -9.603 12.886 1.00 0.00 O ATOM 1244 CB THR A 81 -11.952 -7.273 11.072 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.633 -7.599 9.724 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.810 -6.402 11.629 1.00 0.00 C ATOM 0 H THR A 81 -12.132 -8.258 13.933 1.00 0.00 H new ATOM 0 HA THR A 81 -13.089 -9.059 11.257 1.00 0.00 H new ATOM 0 HB THR A 81 -12.850 -6.664 11.178 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.486 -6.775 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.673 -5.530 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.060 -6.076 12.639 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.888 -6.983 11.653 1.00 0.00 H new ATOM 1254 N VAL A 82 -11.028 -10.463 10.905 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.896 -11.424 10.724 1.00 0.00 C ATOM 1256 C VAL A 82 -8.622 -10.635 10.285 1.00 0.00 C ATOM 1257 O VAL A 82 -8.683 -9.780 9.390 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.246 -12.554 9.687 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.109 -13.591 9.489 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.523 -13.357 10.027 1.00 0.00 C ATOM 0 H VAL A 82 -11.721 -10.512 10.158 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.706 -11.922 11.675 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.404 -11.983 8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.422 -14.339 8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.214 -13.085 9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.892 -14.079 10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.691 -14.115 9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.401 -13.841 10.996 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.378 -12.682 10.063 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.474 -10.967 10.905 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.162 -10.360 10.547 1.00 0.00 C ATOM 1272 C VAL A 83 -5.299 -11.504 9.949 1.00 0.00 C ATOM 1273 O VAL A 83 -4.839 -12.392 10.671 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.478 -9.624 11.750 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.168 -8.916 11.320 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.392 -8.597 12.464 1.00 0.00 C ATOM 0 H VAL A 83 -7.421 -11.653 11.658 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.293 -9.565 9.813 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.257 -10.418 12.463 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.724 -8.418 12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.468 -9.653 10.927 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.389 -8.179 10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.845 -8.131 13.284 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.703 -7.831 11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.272 -9.105 12.857 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.064 -11.454 8.627 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.193 -12.421 7.926 1.00 0.00 C ATOM 1288 C GLN A 84 -2.736 -11.902 7.899 1.00 0.00 C ATOM 1289 O GLN A 84 -2.451 -10.813 7.388 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.712 -12.624 6.480 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.954 -13.529 6.330 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.738 -15.010 6.700 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.851 -15.682 6.176 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.550 -15.551 7.593 1.00 0.00 N ATOM 0 H GLN A 84 -5.469 -10.747 8.014 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.213 -13.374 8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.946 -11.647 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.905 -13.045 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.753 -13.128 6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.299 -13.476 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.283 -14.987 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.443 -16.532 7.851 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.819 -12.741 8.405 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.360 -12.520 8.253 1.00 0.00 C ATOM 1305 C LEU A 85 0.104 -13.197 6.937 1.00 0.00 C ATOM 1306 O LEU A 85 -0.037 -14.411 6.750 1.00 0.00 O ATOM 1307 CB LEU A 85 0.392 -13.038 9.505 1.00 0.00 C ATOM 1308 CG LEU A 85 1.946 -12.966 9.496 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.529 -11.590 9.119 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.497 -13.418 10.856 1.00 0.00 C ATOM 0 H LEU A 85 -2.057 -13.585 8.927 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.130 -11.457 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.035 -12.475 10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.105 -14.078 9.662 1.00 0.00 H new ATOM 0 HG LEU A 85 2.267 -13.642 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.618 -11.638 9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.197 -11.316 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.185 -10.841 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.586 -13.365 10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.111 -12.766 11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.186 -14.444 11.052 1.00 0.00 H new ATOM 1322 N GLU A 86 0.654 -12.360 6.047 1.00 0.00 N ATOM 1323 CA GLU A 86 1.090 -12.775 4.692 1.00 0.00 C ATOM 1324 C GLU A 86 2.621 -12.563 4.569 1.00 0.00 C ATOM 1325 O GLU A 86 3.149 -11.479 4.839 1.00 0.00 O ATOM 1326 CB GLU A 86 0.287 -11.997 3.615 1.00 0.00 C ATOM 1327 CG GLU A 86 -1.161 -12.512 3.454 1.00 0.00 C ATOM 1328 CD GLU A 86 -2.009 -11.706 2.468 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -1.669 -11.663 1.264 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -3.030 -11.121 2.891 1.00 0.00 O ATOM 0 H GLU A 86 0.813 -11.371 6.240 1.00 0.00 H new ATOM 0 HA GLU A 86 0.887 -13.834 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.264 -10.940 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.803 -12.075 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.130 -13.551 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.649 -12.501 4.429 1.00 0.00 H new ATOM 1337 N GLY A 87 3.319 -13.641 4.175 1.00 0.00 N ATOM 1338 CA GLY A 87 4.796 -13.662 4.104 1.00 0.00 C ATOM 1339 C GLY A 87 5.432 -14.075 5.446 1.00 0.00 C ATOM 1340 O GLY A 87 5.366 -15.245 5.834 1.00 0.00 O ATOM 0 H GLY A 87 2.882 -14.520 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.112 -14.355 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.159 -12.675 3.819 1.00 0.00 H new ATOM 1344 N ASP A 88 6.053 -13.099 6.127 1.00 0.00 N ATOM 1345 CA ASP A 88 6.736 -13.309 7.440 1.00 0.00 C ATOM 1346 C ASP A 88 6.522 -12.115 8.415 1.00 0.00 C ATOM 1347 O ASP A 88 6.154 -12.328 9.575 1.00 0.00 O ATOM 1348 CB ASP A 88 8.252 -13.631 7.288 1.00 0.00 C ATOM 1349 CG ASP A 88 8.578 -14.999 6.672 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.564 -16.012 7.406 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.843 -15.065 5.451 1.00 0.00 O ATOM 0 H ASP A 88 6.103 -12.136 5.793 1.00 0.00 H new ATOM 0 HA ASP A 88 6.261 -14.187 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.710 -12.856 6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.718 -13.574 8.272 1.00 0.00 H new ATOM 1356 N ASN A 89 6.788 -10.883 7.949 1.00 0.00 N ATOM 1357 CA ASN A 89 6.603 -9.633 8.732 1.00 0.00 C ATOM 1358 C ASN A 89 5.784 -8.562 7.943 1.00 0.00 C ATOM 1359 O ASN A 89 6.205 -7.408 7.815 1.00 0.00 O ATOM 1360 CB ASN A 89 7.982 -9.162 9.277 1.00 0.00 C ATOM 1361 CG ASN A 89 9.073 -8.680 8.287 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.922 -8.692 7.065 1.00 0.00 O ATOM 1363 ND2 ASN A 89 10.206 -8.248 8.814 1.00 0.00 N ATOM 0 H ASN A 89 7.142 -10.717 7.007 1.00 0.00 H new ATOM 0 HA ASN A 89 5.979 -9.822 9.606 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.795 -8.348 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.404 -9.986 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.959 -7.923 8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.327 -8.240 9.827 1.00 0.00 H new ATOM 1370 N LYS A 90 4.588 -8.948 7.449 1.00 0.00 N ATOM 1371 CA LYS A 90 3.671 -8.038 6.715 1.00 0.00 C ATOM 1372 C LYS A 90 2.211 -8.474 7.010 1.00 0.00 C ATOM 1373 O LYS A 90 1.692 -9.420 6.411 1.00 0.00 O ATOM 1374 CB LYS A 90 4.047 -7.999 5.205 1.00 0.00 C ATOM 1375 CG LYS A 90 3.335 -6.929 4.341 1.00 0.00 C ATOM 1376 CD LYS A 90 1.956 -7.297 3.742 1.00 0.00 C ATOM 1377 CE LYS A 90 1.895 -8.512 2.791 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.664 -8.320 1.547 1.00 0.00 N ATOM 0 H LYS A 90 4.228 -9.897 7.546 1.00 0.00 H new ATOM 0 HA LYS A 90 3.768 -7.007 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.123 -7.841 5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.837 -8.979 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.209 -6.034 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.999 -6.664 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.269 -7.481 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.581 -6.428 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.274 -9.391 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.854 -8.715 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.582 -9.170 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.289 -7.499 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.664 -8.155 1.779 1.00 0.00 H new ATOM 1392 N LEU A 91 1.553 -7.738 7.923 1.00 0.00 N ATOM 1393 CA LEU A 91 0.125 -7.957 8.288 1.00 0.00 C ATOM 1394 C LEU A 91 -0.834 -7.263 7.275 1.00 0.00 C ATOM 1395 O LEU A 91 -0.482 -6.265 6.638 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.124 -7.403 9.720 1.00 0.00 C ATOM 1397 CG LEU A 91 0.584 -8.149 10.887 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.700 -7.245 12.128 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.101 -9.481 11.243 1.00 0.00 C ATOM 0 H LEU A 91 1.989 -6.971 8.435 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.081 -9.027 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.191 -6.360 9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.197 -7.416 9.909 1.00 0.00 H new ATOM 0 HG LEU A 91 1.587 -8.394 10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.198 -7.790 12.930 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.280 -6.356 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.296 -6.948 12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.435 -9.958 12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.131 -9.291 11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.093 -10.138 10.373 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.046 -7.826 7.129 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.061 -7.354 6.145 1.00 0.00 C ATOM 1413 C VAL A 92 -4.441 -7.501 6.855 1.00 0.00 C ATOM 1414 O VAL A 92 -4.870 -8.620 7.160 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.004 -8.145 4.785 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -4.024 -7.615 3.749 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.615 -8.159 4.103 1.00 0.00 C ATOM 0 H VAL A 92 -2.359 -8.622 7.685 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.871 -6.319 5.860 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.250 -9.163 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.943 -8.195 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.033 -7.710 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.815 -6.567 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.672 -8.726 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.306 -7.137 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.888 -8.624 4.768 1.00 0.00 H new ATOM 1427 N THR A 93 -5.142 -6.372 7.080 1.00 0.00 N ATOM 1428 CA THR A 93 -6.521 -6.375 7.642 1.00 0.00 C ATOM 1429 C THR A 93 -7.280 -5.111 7.170 1.00 0.00 C ATOM 1430 O THR A 93 -6.961 -3.981 7.546 1.00 0.00 O ATOM 1431 CB THR A 93 -6.569 -6.556 9.189 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.922 -6.702 9.613 1.00 0.00 O ATOM 1433 CG2 THR A 93 -5.889 -5.485 10.066 1.00 0.00 C ATOM 0 H THR A 93 -4.780 -5.439 6.882 1.00 0.00 H new ATOM 0 HA THR A 93 -7.029 -7.257 7.252 1.00 0.00 H new ATOM 0 HB THR A 93 -5.966 -7.450 9.349 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.179 -7.647 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.006 -5.748 11.117 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.828 -5.434 9.821 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.352 -4.516 9.881 1.00 0.00 H new ATOM 1441 N THR A 94 -8.352 -5.350 6.405 1.00 0.00 N ATOM 1442 CA THR A 94 -9.411 -4.347 6.149 1.00 0.00 C ATOM 1443 C THR A 94 -10.488 -4.479 7.261 1.00 0.00 C ATOM 1444 O THR A 94 -11.031 -5.564 7.506 1.00 0.00 O ATOM 1445 CB THR A 94 -9.964 -4.470 4.705 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.974 -3.488 4.491 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.523 -5.850 4.319 1.00 0.00 C ATOM 0 H THR A 94 -8.516 -6.244 5.942 1.00 0.00 H new ATOM 0 HA THR A 94 -9.009 -3.335 6.200 1.00 0.00 H new ATOM 0 HB THR A 94 -9.097 -4.314 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.320 -3.568 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.882 -5.822 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.737 -6.599 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.347 -6.108 4.984 1.00 0.00 H new ATOM 1455 N PHE A 95 -10.785 -3.351 7.921 1.00 0.00 N ATOM 1456 CA PHE A 95 -11.773 -3.307 9.032 1.00 0.00 C ATOM 1457 C PHE A 95 -13.202 -3.120 8.446 1.00 0.00 C ATOM 1458 O PHE A 95 -13.939 -4.103 8.326 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.369 -2.247 10.095 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.090 -2.479 10.918 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -8.840 -2.065 10.439 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -10.194 -2.982 12.216 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -7.719 -2.135 11.265 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -9.078 -3.033 13.042 1.00 0.00 C ATOM 1465 CZ PHE A 95 -7.839 -2.614 12.567 1.00 0.00 C ATOM 0 H PHE A 95 -10.359 -2.449 7.711 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.780 -4.254 9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.265 -1.290 9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.199 -2.147 10.794 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.745 -1.692 9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.148 -3.334 12.580 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.756 -1.817 10.894 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.172 -3.398 14.054 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.971 -2.660 13.208 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.559 -1.884 8.049 1.00 0.00 N ATOM 1476 CA LYS A 96 -14.815 -1.569 7.332 1.00 0.00 C ATOM 1477 C LYS A 96 -14.431 -1.247 5.857 1.00 0.00 C ATOM 1478 O LYS A 96 -14.517 -2.143 5.012 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.551 -0.491 8.160 1.00 0.00 C ATOM 1480 CG LYS A 96 -16.926 -0.101 7.583 1.00 0.00 C ATOM 1481 CD LYS A 96 -17.677 0.904 8.471 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.350 0.343 9.743 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.472 -0.570 9.456 1.00 0.00 N ATOM 0 H LYS A 96 -12.977 -1.063 8.218 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.540 -2.379 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.684 -0.855 9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.925 0.400 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -16.791 0.328 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.533 -0.998 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.975 1.681 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.444 1.385 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.604 -0.185 10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.712 1.173 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.880 -0.911 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -20.201 -0.064 8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.128 -1.380 8.902 1.00 0.00 H new ATOM 1497 N ASN A 97 -13.965 -0.014 5.564 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.234 0.295 4.300 1.00 0.00 C ATOM 1499 C ASN A 97 -11.917 1.056 4.649 1.00 0.00 C ATOM 1500 O ASN A 97 -11.719 2.208 4.247 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.144 1.081 3.309 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.299 0.273 2.684 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.086 -0.594 1.838 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -16.533 0.543 3.081 1.00 0.00 N ATOM 0 H ASN A 97 -14.079 0.790 6.182 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.963 -0.629 3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.566 1.939 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.522 1.473 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.320 0.030 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.696 1.264 3.783 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.014 0.399 5.406 1.00 0.00 N ATOM 1512 CA ILE A 98 -9.732 0.996 5.869 1.00 0.00 C ATOM 1513 C ILE A 98 -8.708 -0.162 5.705 1.00 0.00 C ATOM 1514 O ILE A 98 -8.596 -1.016 6.592 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.813 1.589 7.328 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.823 2.772 7.465 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.418 2.049 7.824 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.144 3.232 8.898 1.00 0.00 C ATOM 0 H ILE A 98 -11.148 -0.563 5.717 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.443 1.873 5.290 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.179 0.773 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.428 3.625 6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.756 2.483 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.505 2.453 8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.736 1.199 7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.030 2.819 7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.855 4.057 8.864 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.576 2.403 9.458 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.228 3.562 9.388 1.00 0.00 H new ATOM 1530 N LYS A 99 -7.955 -0.168 4.585 1.00 0.00 N ATOM 1531 CA LYS A 99 -6.995 -1.256 4.253 1.00 0.00 C ATOM 1532 C LYS A 99 -5.670 -1.013 5.016 1.00 0.00 C ATOM 1533 O LYS A 99 -4.838 -0.196 4.612 1.00 0.00 O ATOM 1534 CB LYS A 99 -6.771 -1.353 2.715 1.00 0.00 C ATOM 1535 CG LYS A 99 -7.792 -2.219 1.941 1.00 0.00 C ATOM 1536 CD LYS A 99 -9.265 -1.764 1.981 1.00 0.00 C ATOM 1537 CE LYS A 99 -9.550 -0.475 1.186 1.00 0.00 C ATOM 1538 NZ LYS A 99 -10.969 -0.086 1.270 1.00 0.00 N ATOM 0 H LYS A 99 -7.990 0.574 3.886 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.407 -2.215 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.789 -0.345 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.773 -1.754 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.478 -2.262 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.740 -3.235 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.892 -2.565 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.558 -1.609 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.928 0.334 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.274 -0.623 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.209 0.528 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.565 -0.938 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.136 0.427 2.159 1.00 0.00 H new ATOM 1552 N SER A 100 -5.532 -1.727 6.144 1.00 0.00 N ATOM 1553 CA SER A 100 -4.441 -1.481 7.127 1.00 0.00 C ATOM 1554 C SER A 100 -3.314 -2.521 6.925 1.00 0.00 C ATOM 1555 O SER A 100 -3.488 -3.708 7.227 1.00 0.00 O ATOM 1556 CB SER A 100 -4.976 -1.500 8.578 1.00 0.00 C ATOM 1557 OG SER A 100 -6.008 -0.538 8.762 1.00 0.00 O ATOM 0 H SER A 100 -6.161 -2.485 6.408 1.00 0.00 H new ATOM 0 HA SER A 100 -4.031 -0.486 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.356 -2.494 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.160 -1.298 9.271 1.00 0.00 H new ATOM 0 HG SER A 100 -5.677 0.193 9.325 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.168 -2.056 6.396 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.012 -2.932 6.056 1.00 0.00 C ATOM 1565 C VAL A 101 0.148 -2.507 6.992 1.00 0.00 C ATOM 1566 O VAL A 101 0.779 -1.469 6.777 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.641 -2.852 4.538 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.625 -3.665 4.170 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.789 -3.354 3.634 1.00 0.00 C ATOM 0 H VAL A 101 -2.009 -1.070 6.190 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.253 -3.983 6.215 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.450 -1.793 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.824 -3.565 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.477 -3.287 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.466 -4.716 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.488 -3.281 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.014 -4.393 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.676 -2.743 3.800 1.00 0.00 H new ATOM 1579 N THR A 102 0.425 -3.347 8.000 1.00 0.00 N ATOM 1580 CA THR A 102 1.466 -3.069 9.028 1.00 0.00 C ATOM 1581 C THR A 102 2.727 -3.914 8.669 1.00 0.00 C ATOM 1582 O THR A 102 2.855 -5.067 9.094 1.00 0.00 O ATOM 1583 CB THR A 102 0.872 -3.336 10.446 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.314 -2.576 10.649 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.822 -2.993 11.600 1.00 0.00 C ATOM 0 H THR A 102 -0.057 -4.236 8.135 1.00 0.00 H new ATOM 0 HA THR A 102 1.781 -2.026 9.042 1.00 0.00 H new ATOM 0 HB THR A 102 0.679 -4.409 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.671 -2.759 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.333 -3.208 12.550 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.729 -3.592 11.515 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.081 -1.935 11.556 1.00 0.00 H new ATOM 1593 N GLU A 103 3.643 -3.324 7.871 1.00 0.00 N ATOM 1594 CA GLU A 103 4.881 -4.006 7.407 1.00 0.00 C ATOM 1595 C GLU A 103 6.079 -3.549 8.276 1.00 0.00 C ATOM 1596 O GLU A 103 6.451 -2.372 8.280 1.00 0.00 O ATOM 1597 CB GLU A 103 5.137 -3.715 5.904 1.00 0.00 C ATOM 1598 CG GLU A 103 6.238 -4.596 5.267 1.00 0.00 C ATOM 1599 CD GLU A 103 6.380 -4.411 3.751 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.557 -3.263 3.287 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.325 -5.421 3.015 1.00 0.00 O ATOM 0 H GLU A 103 3.551 -2.367 7.529 1.00 0.00 H new ATOM 0 HA GLU A 103 4.759 -5.084 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.207 -3.860 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.415 -2.667 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.192 -4.369 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.019 -5.643 5.477 1.00 0.00 H new ATOM 1608 N LEU A 104 6.715 -4.519 8.948 1.00 0.00 N ATOM 1609 CA LEU A 104 7.963 -4.292 9.720 1.00 0.00 C ATOM 1610 C LEU A 104 9.164 -4.231 8.734 1.00 0.00 C ATOM 1611 O LEU A 104 9.461 -5.218 8.051 1.00 0.00 O ATOM 1612 CB LEU A 104 8.115 -5.435 10.763 1.00 0.00 C ATOM 1613 CG LEU A 104 8.864 -5.117 12.082 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.820 -6.362 12.989 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.321 -4.654 11.907 1.00 0.00 C ATOM 0 H LEU A 104 6.386 -5.484 8.977 1.00 0.00 H new ATOM 0 HA LEU A 104 7.930 -3.345 10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.116 -5.787 11.022 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.629 -6.265 10.278 1.00 0.00 H new ATOM 0 HG LEU A 104 8.346 -4.269 12.530 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.344 -6.152 13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.783 -6.618 13.205 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.302 -7.198 12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.760 -4.456 12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.893 -5.434 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.344 -3.744 11.308 1.00 0.00 H new ATOM 1627 N ASN A 105 9.820 -3.060 8.650 1.00 0.00 N ATOM 1628 CA ASN A 105 10.930 -2.826 7.679 1.00 0.00 C ATOM 1629 C ASN A 105 12.282 -2.730 8.452 1.00 0.00 C ATOM 1630 O ASN A 105 12.872 -1.650 8.574 1.00 0.00 O ATOM 1631 CB ASN A 105 10.646 -1.575 6.791 1.00 0.00 C ATOM 1632 CG ASN A 105 9.280 -1.484 6.073 1.00 0.00 C ATOM 1633 OD1 ASN A 105 8.408 -0.711 6.467 1.00 0.00 O ATOM 1634 ND2 ASN A 105 9.060 -2.259 5.025 1.00 0.00 N ATOM 0 H ASN A 105 9.608 -2.254 9.238 1.00 0.00 H new ATOM 0 HA ASN A 105 11.000 -3.669 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.752 -0.690 7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.426 -1.522 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.164 -2.218 4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.786 -2.898 4.702 1.00 0.00 H new ATOM 1641 N GLY A 106 12.763 -3.876 8.983 1.00 0.00 N ATOM 1642 CA GLY A 106 14.003 -3.930 9.796 1.00 0.00 C ATOM 1643 C GLY A 106 13.765 -3.549 11.272 1.00 0.00 C ATOM 1644 O GLY A 106 13.457 -4.409 12.102 1.00 0.00 O ATOM 0 H GLY A 106 12.310 -4.782 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.421 -4.936 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.744 -3.256 9.366 1.00 0.00 H new ATOM 1648 N ASP A 107 13.876 -2.244 11.557 1.00 0.00 N ATOM 1649 CA ASP A 107 13.288 -1.616 12.776 1.00 0.00 C ATOM 1650 C ASP A 107 11.924 -0.921 12.461 1.00 0.00 C ATOM 1651 O ASP A 107 10.961 -1.115 13.208 1.00 0.00 O ATOM 1652 CB ASP A 107 14.279 -0.604 13.418 1.00 0.00 C ATOM 1653 CG ASP A 107 15.468 -1.229 14.162 1.00 0.00 C ATOM 1654 OD1 ASP A 107 16.441 -1.654 13.500 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.437 -1.289 15.411 1.00 0.00 O ATOM 0 H ASP A 107 14.373 -1.585 10.958 1.00 0.00 H new ATOM 0 HA ASP A 107 13.100 -2.415 13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.665 0.048 12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.727 0.027 14.115 1.00 0.00 H new ATOM 1660 N ILE A 108 11.849 -0.090 11.397 1.00 0.00 N ATOM 1661 CA ILE A 108 10.782 0.928 11.221 1.00 0.00 C ATOM 1662 C ILE A 108 9.481 0.245 10.689 1.00 0.00 C ATOM 1663 O ILE A 108 9.417 -0.184 9.535 1.00 0.00 O ATOM 1664 CB ILE A 108 11.282 2.114 10.314 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.608 2.811 10.773 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.197 3.210 10.194 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.902 2.204 10.208 1.00 0.00 C ATOM 0 H ILE A 108 12.526 -0.104 10.634 1.00 0.00 H new ATOM 0 HA ILE A 108 10.536 1.374 12.185 1.00 0.00 H new ATOM 0 HB ILE A 108 11.490 1.631 9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.564 3.862 10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.657 2.779 11.861 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.565 4.019 9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.297 2.784 9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.963 3.600 11.184 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.760 2.759 10.587 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.980 1.161 10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.885 2.260 9.120 1.00 0.00 H new ATOM 1679 N ILE A 109 8.446 0.195 11.546 1.00 0.00 N ATOM 1680 CA ILE A 109 7.129 -0.412 11.217 1.00 0.00 C ATOM 1681 C ILE A 109 6.222 0.657 10.534 1.00 0.00 C ATOM 1682 O ILE A 109 5.998 1.741 11.083 1.00 0.00 O ATOM 1683 CB ILE A 109 6.528 -1.091 12.498 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.439 -2.140 12.159 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.024 -0.098 13.574 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.995 -2.973 13.371 1.00 0.00 C ATOM 0 H ILE A 109 8.492 0.574 12.492 1.00 0.00 H new ATOM 0 HA ILE A 109 7.225 -1.216 10.488 1.00 0.00 H new ATOM 0 HB ILE A 109 7.375 -1.612 12.944 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.571 -1.630 11.741 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.818 -2.809 11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.625 -0.653 14.423 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.851 0.529 13.906 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.240 0.530 13.151 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.232 -3.687 13.062 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.852 -3.511 13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.586 -2.313 14.136 1.00 0.00 H new ATOM 1698 N THR A 110 5.731 0.340 9.326 1.00 0.00 N ATOM 1699 CA THR A 110 5.010 1.312 8.463 1.00 0.00 C ATOM 1700 C THR A 110 3.546 0.807 8.309 1.00 0.00 C ATOM 1701 O THR A 110 3.269 -0.095 7.511 1.00 0.00 O ATOM 1702 CB THR A 110 5.788 1.489 7.124 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.120 1.925 7.388 1.00 0.00 O ATOM 1704 CG2 THR A 110 5.164 2.525 6.174 1.00 0.00 C ATOM 0 H THR A 110 5.817 -0.589 8.914 1.00 0.00 H new ATOM 0 HA THR A 110 4.960 2.310 8.898 1.00 0.00 H new ATOM 0 HB THR A 110 5.755 0.512 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.747 1.198 7.190 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.762 2.591 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.149 2.220 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.139 3.499 6.663 1.00 0.00 H new ATOM 1712 N ASN A 111 2.625 1.417 9.078 1.00 0.00 N ATOM 1713 CA ASN A 111 1.169 1.114 9.026 1.00 0.00 C ATOM 1714 C ASN A 111 0.487 2.106 8.046 1.00 0.00 C ATOM 1715 O ASN A 111 0.260 3.274 8.369 1.00 0.00 O ATOM 1716 CB ASN A 111 0.613 1.124 10.481 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.918 1.186 10.676 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.449 2.183 11.162 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.654 0.152 10.299 1.00 0.00 N ATOM 0 H ASN A 111 2.864 2.138 9.758 1.00 0.00 H new ATOM 0 HA ASN A 111 0.956 0.121 8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.977 0.227 10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.050 1.978 10.999 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.667 0.180 10.411 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.208 -0.672 9.897 1.00 0.00 H new ATOM 1726 N THR A 112 0.159 1.587 6.852 1.00 0.00 N ATOM 1727 CA THR A 112 -0.391 2.383 5.729 1.00 0.00 C ATOM 1728 C THR A 112 -1.920 2.098 5.673 1.00 0.00 C ATOM 1729 O THR A 112 -2.343 1.050 5.176 1.00 0.00 O ATOM 1730 CB THR A 112 0.385 1.997 4.432 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.787 2.189 4.609 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.015 2.824 3.203 1.00 0.00 C ATOM 0 H THR A 112 0.267 0.597 6.631 1.00 0.00 H new ATOM 0 HA THR A 112 -0.264 3.459 5.851 1.00 0.00 H new ATOM 0 HB THR A 112 0.130 0.952 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.258 1.940 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.567 2.499 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.076 2.683 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.180 3.879 3.395 1.00 0.00 H new ATOM 1740 N MET A 113 -2.726 3.035 6.208 1.00 0.00 N ATOM 1741 CA MET A 113 -4.201 2.880 6.318 1.00 0.00 C ATOM 1742 C MET A 113 -4.894 3.739 5.233 1.00 0.00 C ATOM 1743 O MET A 113 -4.968 4.967 5.346 1.00 0.00 O ATOM 1744 CB MET A 113 -4.702 3.272 7.731 1.00 0.00 C ATOM 1745 CG MET A 113 -4.315 2.312 8.858 1.00 0.00 C ATOM 1746 SD MET A 113 -5.699 2.243 10.016 1.00 0.00 S ATOM 1747 CE MET A 113 -4.850 2.575 11.554 1.00 0.00 C ATOM 0 H MET A 113 -2.380 3.921 6.577 1.00 0.00 H new ATOM 0 HA MET A 113 -4.455 1.832 6.161 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.316 4.262 7.972 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.789 3.352 7.703 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.100 1.321 8.459 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.412 2.657 9.361 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.567 2.568 12.375 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.095 1.808 11.726 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.370 3.552 11.501 1.00 0.00 H new ATOM 1757 N THR A 114 -5.407 3.071 4.185 1.00 0.00 N ATOM 1758 CA THR A 114 -6.037 3.750 3.025 1.00 0.00 C ATOM 1759 C THR A 114 -7.580 3.678 3.200 1.00 0.00 C ATOM 1760 O THR A 114 -8.194 2.614 3.076 1.00 0.00 O ATOM 1761 CB THR A 114 -5.538 3.114 1.697 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.115 3.185 1.627 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.088 3.784 0.424 1.00 0.00 C ATOM 0 H THR A 114 -5.400 2.054 4.112 1.00 0.00 H new ATOM 0 HA THR A 114 -5.752 4.801 2.979 1.00 0.00 H new ATOM 0 HB THR A 114 -5.905 2.088 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.808 2.781 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.689 3.278 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.176 3.717 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.789 4.832 0.406 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.186 4.853 3.432 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.665 5.038 3.415 1.00 0.00 C ATOM 1773 C LEU A 115 -10.246 4.924 1.969 1.00 0.00 C ATOM 1774 O LEU A 115 -11.022 4.005 1.691 1.00 0.00 O ATOM 1775 CB LEU A 115 -9.990 6.372 4.153 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.479 6.792 4.294 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.327 5.771 5.080 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.573 8.183 4.955 1.00 0.00 C ATOM 0 H LEU A 115 -7.672 5.710 3.638 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.168 4.234 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.566 6.309 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.466 7.175 3.635 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.893 6.829 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.356 6.124 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.304 4.809 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.921 5.658 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.620 8.471 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.115 8.148 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.051 8.915 4.339 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.834 5.835 1.075 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.142 5.766 -0.367 1.00 0.00 C ATOM 1792 C GLY A 116 -9.032 6.507 -1.128 1.00 0.00 C ATOM 1793 O GLY A 116 -8.082 5.878 -1.604 1.00 0.00 O ATOM 0 H GLY A 116 -9.273 6.648 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.200 4.728 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.112 6.220 -0.571 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.141 7.846 -1.180 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.011 8.737 -1.583 1.00 0.00 C ATOM 1799 C ASP A 117 -6.972 9.067 -0.456 1.00 0.00 C ATOM 1800 O ASP A 117 -5.801 9.287 -0.779 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.548 10.017 -2.286 1.00 0.00 C ATOM 1802 CG ASP A 117 -9.378 11.002 -1.442 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -10.604 10.796 -1.302 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.804 11.982 -0.920 1.00 0.00 O ATOM 0 H ASP A 117 -9.999 8.347 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.427 8.156 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.694 10.560 -2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.159 9.704 -3.133 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.383 9.126 0.832 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.513 9.570 1.959 1.00 0.00 C ATOM 1811 C ILE A 118 -5.673 8.345 2.441 1.00 0.00 C ATOM 1812 O ILE A 118 -6.229 7.312 2.830 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.369 10.218 3.109 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.185 11.470 2.652 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.490 10.601 4.330 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.317 11.904 3.598 1.00 0.00 C ATOM 0 H ILE A 118 -8.326 8.868 1.125 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.827 10.350 1.629 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.083 9.446 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.496 12.306 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.614 11.264 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.116 11.046 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.005 9.708 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.731 11.319 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.818 12.780 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.035 11.091 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.901 12.149 4.575 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.338 8.514 2.445 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.380 7.462 2.886 1.00 0.00 C ATOM 1830 C VAL A 119 -2.740 7.972 4.215 1.00 0.00 C ATOM 1831 O VAL A 119 -1.839 8.817 4.205 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.343 7.131 1.754 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.301 6.079 2.198 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.992 6.617 0.445 1.00 0.00 C ATOM 0 H VAL A 119 -3.886 9.378 2.145 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.875 6.510 3.077 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.859 8.088 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.608 5.886 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.749 6.455 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.810 5.154 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.214 6.410 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.550 5.704 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.669 7.376 0.052 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.199 7.405 5.346 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.629 7.663 6.694 1.00 0.00 C ATOM 1846 C PHE A 120 -1.446 6.692 6.970 1.00 0.00 C ATOM 1847 O PHE A 120 -1.644 5.566 7.439 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.785 7.563 7.730 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.455 7.603 9.240 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.635 8.599 9.784 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -4.027 6.653 10.096 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.419 8.662 11.156 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.809 6.717 11.469 1.00 0.00 C ATOM 1854 CZ PHE A 120 -3.018 7.732 11.999 1.00 0.00 C ATOM 0 H PHE A 120 -3.981 6.750 5.357 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.204 8.664 6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.480 8.378 7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.319 6.633 7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.167 9.323 9.134 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.642 5.865 9.687 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.785 9.434 11.568 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.253 5.980 12.122 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.869 7.798 13.067 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.220 7.168 6.697 1.00 0.00 N ATOM 1865 CA LYS A 121 1.020 6.379 6.897 1.00 0.00 C ATOM 1866 C LYS A 121 1.678 6.781 8.247 1.00 0.00 C ATOM 1867 O LYS A 121 2.032 7.946 8.450 1.00 0.00 O ATOM 1868 CB LYS A 121 1.952 6.583 5.674 1.00 0.00 C ATOM 1869 CG LYS A 121 3.130 5.585 5.617 1.00 0.00 C ATOM 1870 CD LYS A 121 4.100 5.758 4.427 1.00 0.00 C ATOM 1871 CE LYS A 121 3.636 5.203 3.065 1.00 0.00 C ATOM 1872 NZ LYS A 121 2.655 6.060 2.374 1.00 0.00 N ATOM 0 H LYS A 121 -0.054 8.106 6.333 1.00 0.00 H new ATOM 0 HA LYS A 121 0.802 5.313 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.364 6.490 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.348 7.598 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.700 5.672 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.724 4.574 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.305 6.822 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.044 5.278 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.506 5.072 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.199 4.216 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.702 5.886 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.699 5.840 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.871 7.059 2.566 1.00 0.00 H new ATOM 1886 N ARG A 122 1.846 5.793 9.144 1.00 0.00 N ATOM 1887 CA ARG A 122 2.504 5.982 10.463 1.00 0.00 C ATOM 1888 C ARG A 122 3.890 5.284 10.433 1.00 0.00 C ATOM 1889 O ARG A 122 3.986 4.053 10.434 1.00 0.00 O ATOM 1890 CB ARG A 122 1.608 5.423 11.601 1.00 0.00 C ATOM 1891 CG ARG A 122 0.481 6.388 12.036 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.153 6.079 13.405 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.989 4.854 13.372 1.00 0.00 N ATOM 1894 CZ ARG A 122 -2.029 4.613 14.192 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -2.442 5.448 15.144 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.681 3.477 14.042 1.00 0.00 N ATOM 0 H ARG A 122 1.531 4.837 8.981 1.00 0.00 H new ATOM 0 HA ARG A 122 2.648 7.044 10.660 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.163 4.484 11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.233 5.195 12.465 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.881 7.402 12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.302 6.372 11.278 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.634 5.960 14.149 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.764 6.925 13.720 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.759 4.143 12.678 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.961 6.336 15.287 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.239 5.199 15.730 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.392 2.814 13.322 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.474 3.261 14.646 1.00 0.00 H new ATOM 1910 N ILE A 123 4.953 6.105 10.421 1.00 0.00 N ATOM 1911 CA ILE A 123 6.363 5.643 10.308 1.00 0.00 C ATOM 1912 C ILE A 123 6.908 5.590 11.770 1.00 0.00 C ATOM 1913 O ILE A 123 7.152 6.638 12.375 1.00 0.00 O ATOM 1914 CB ILE A 123 7.170 6.599 9.350 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.629 6.682 7.883 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.666 6.215 9.266 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.565 7.758 7.628 1.00 0.00 C ATOM 0 H ILE A 123 4.866 7.119 10.490 1.00 0.00 H new ATOM 0 HA ILE A 123 6.459 4.656 9.856 1.00 0.00 H new ATOM 0 HB ILE A 123 7.037 7.575 9.816 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.471 6.863 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.211 5.712 7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.181 6.902 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.113 6.274 10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.760 5.198 8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.261 7.728 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.699 7.571 8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.978 8.740 7.858 1.00 0.00 H new ATOM 1929 N SER A 124 7.063 4.373 12.327 1.00 0.00 N ATOM 1930 CA SER A 124 7.316 4.169 13.782 1.00 0.00 C ATOM 1931 C SER A 124 8.638 3.382 14.001 1.00 0.00 C ATOM 1932 O SER A 124 8.711 2.181 13.736 1.00 0.00 O ATOM 1933 CB SER A 124 6.101 3.442 14.414 1.00 0.00 C ATOM 1934 OG SER A 124 4.968 4.295 14.501 1.00 0.00 O ATOM 0 H SER A 124 7.018 3.505 11.793 1.00 0.00 H new ATOM 0 HA SER A 124 7.434 5.134 14.274 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.851 2.564 13.818 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.367 3.086 15.410 1.00 0.00 H new ATOM 0 HG SER A 124 4.220 3.805 14.902 1.00 0.00 H new ATOM 1940 N LYS A 125 9.682 4.062 14.513 1.00 0.00 N ATOM 1941 CA LYS A 125 11.023 3.459 14.743 1.00 0.00 C ATOM 1942 C LYS A 125 11.057 2.567 16.023 1.00 0.00 C ATOM 1943 O LYS A 125 10.707 3.019 17.117 1.00 0.00 O ATOM 1944 CB LYS A 125 12.062 4.614 14.810 1.00 0.00 C ATOM 1945 CG LYS A 125 13.537 4.152 14.798 1.00 0.00 C ATOM 1946 CD LYS A 125 14.545 5.314 14.881 1.00 0.00 C ATOM 1947 CE LYS A 125 16.003 4.818 14.877 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.957 5.939 14.945 1.00 0.00 N ATOM 0 H LYS A 125 9.627 5.045 14.781 1.00 0.00 H new ATOM 0 HA LYS A 125 11.268 2.789 13.919 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.897 5.283 13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.884 5.194 15.716 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.704 3.476 15.636 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.724 3.583 13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.390 5.989 14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.361 5.889 15.788 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.163 4.151 15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.188 4.236 13.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.929 5.569 14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.820 6.562 14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.796 6.479 15.819 1.00 0.00 H new ATOM 1962 N ARG A 126 11.544 1.318 15.872 1.00 0.00 N ATOM 1963 CA ARG A 126 11.760 0.379 17.010 1.00 0.00 C ATOM 1964 C ARG A 126 13.063 0.738 17.780 1.00 0.00 C ATOM 1965 O ARG A 126 14.117 0.964 17.174 1.00 0.00 O ATOM 1966 CB ARG A 126 11.790 -1.076 16.461 1.00 0.00 C ATOM 1967 CG ARG A 126 11.523 -2.233 17.458 1.00 0.00 C ATOM 1968 CD ARG A 126 12.700 -2.762 18.308 1.00 0.00 C ATOM 1969 NE ARG A 126 13.895 -3.198 17.536 1.00 0.00 N ATOM 1970 CZ ARG A 126 13.991 -4.346 16.836 1.00 0.00 C ATOM 1971 NH1 ARG A 126 13.023 -5.257 16.759 1.00 0.00 N ATOM 1972 NH2 ARG A 126 15.115 -4.581 16.183 1.00 0.00 N ATOM 0 H ARG A 126 11.800 0.926 14.966 1.00 0.00 H new ATOM 0 HA ARG A 126 10.941 0.465 17.724 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.053 -1.147 15.661 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.768 -1.243 16.009 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.741 -1.906 18.143 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.120 -3.072 16.891 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.003 -1.981 19.005 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.347 -3.603 18.905 1.00 0.00 H new ATOM 0 HE ARG A 126 14.706 -2.579 17.537 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.141 -5.107 17.249 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.163 -6.105 16.210 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.877 -3.903 16.218 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.221 -5.440 15.643 1.00 0.00 H new ATOM 1986 N ILE A 127 12.972 0.771 19.124 1.00 0.00 N ATOM 1987 CA ILE A 127 14.103 1.149 20.014 1.00 0.00 C ATOM 1988 C ILE A 127 14.988 -0.109 20.169 1.00 0.00 C ATOM 1989 O ILE A 127 15.957 -0.297 19.431 1.00 0.00 O ATOM 1990 CB ILE A 127 13.633 1.712 21.406 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.637 2.918 21.359 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.843 2.149 22.277 1.00 0.00 C ATOM 1993 CD1 ILE A 127 11.159 2.565 21.128 1.00 0.00 C ATOM 0 H ILE A 127 12.117 0.538 19.629 1.00 0.00 H new ATOM 0 HA ILE A 127 14.665 1.969 19.567 1.00 0.00 H new ATOM 0 HB ILE A 127 13.096 0.867 21.837 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.716 3.465 22.298 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.956 3.596 20.567 1.00 0.00 H new ATOM 0 HG21 ILE A 127 14.484 2.533 23.232 1.00 0.00 H new ATOM 0 HG22 ILE A 127 15.494 1.292 22.452 1.00 0.00 H new ATOM 0 HG23 ILE A 127 15.401 2.929 21.759 1.00 0.00 H new ATOM 0 HD11 ILE A 127 10.565 3.479 21.115 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.053 2.049 20.174 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.810 1.917 21.932 1.00 0.00 H new TER 2005 ILE A 127