USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 13 HIS : no HD1:sc= 0.482 K(o=-0.22,f=-4.2!) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.705 K(o=-0.22,f=-2.2) USER MOD Single : A 6 MET CE :methyl 164:sc= -0.0533 (180deg=-0.401) USER MOD Single : A 8 GLN : amide:sc= -2.7 X(o=-2.7,f=-2.7) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 120:sc= 0.28 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.0665 (180deg=-0.273) USER MOD Single : A 20 SER OG : rot 180:sc= 0.081 USER MOD Single : A 24 ASN : amide:sc= -1.98! K(o=-2!,f=-0.099) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 SER OG : rot 91:sc= 0.67 USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.0119 (180deg=-0.307) USER MOD Single : A 42 ASN : amide:sc= -6.88! C(o=-6.9!,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0689) USER MOD Single : A 51 HIS : no HE2:sc= 0.0441 X(o=0.044,f=-0.28) USER MOD Single : A 52 SER OG : rot 31:sc= 0.0495 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 22:sc= 0.395 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -128:sc= 2.2 USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= -2.57! (180deg=-4.72!) USER MOD Single : A 78 TYR OH : rot -170:sc= 0.454 USER MOD Single : A 83 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.92) USER MOD Single : A 84 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-9.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.141 (180deg=-0.899) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 5.978 -8.458 6.908 1.00 0.00 N ATOM 2 CA MET A 6 4.599 -8.052 7.114 1.00 0.00 C ATOM 3 C MET A 6 4.444 -6.551 6.913 1.00 0.00 C ATOM 4 O MET A 6 5.266 -5.760 7.379 1.00 0.00 O ATOM 5 CB MET A 6 4.131 -8.448 8.518 1.00 0.00 C ATOM 6 CG MET A 6 2.683 -8.081 8.806 1.00 0.00 C ATOM 7 SD MET A 6 1.528 -8.802 7.619 1.00 0.00 S ATOM 8 CE MET A 6 1.802 -10.551 7.897 1.00 0.00 C ATOM 0 HA MET A 6 3.979 -8.565 6.379 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.256 -9.524 8.643 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.773 -7.965 9.255 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.421 -8.415 9.810 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.579 -6.996 8.794 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.982 -11.122 7.460 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.741 -10.851 7.432 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.850 -10.746 8.968 1.00 0.00 H new ATOM 17 N ILE A 7 3.392 -6.175 6.205 1.00 0.00 N ATOM 18 CA ILE A 7 3.077 -4.777 5.959 1.00 0.00 C ATOM 19 C ILE A 7 1.894 -4.390 6.836 1.00 0.00 C ATOM 20 O ILE A 7 1.078 -5.242 7.179 1.00 0.00 O ATOM 21 CB ILE A 7 2.685 -4.550 4.473 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.623 -5.303 3.522 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.675 -3.067 4.121 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.947 -5.718 2.228 1.00 0.00 C ATOM 0 H ILE A 7 2.732 -6.830 5.785 1.00 0.00 H new ATOM 0 HA ILE A 7 3.954 -4.171 6.187 1.00 0.00 H new ATOM 0 HB ILE A 7 1.677 -4.945 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.481 -4.671 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.007 -6.190 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.397 -2.943 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.953 -2.548 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.668 -2.648 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.662 -6.246 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.106 -6.374 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.587 -4.832 1.705 1.00 0.00 H new ATOM 36 N GLN A 8 1.802 -3.128 7.229 1.00 0.00 N ATOM 37 CA GLN A 8 0.686 -2.685 8.036 1.00 0.00 C ATOM 38 C GLN A 8 -0.034 -1.535 7.333 1.00 0.00 C ATOM 39 O GLN A 8 0.482 -0.421 7.251 1.00 0.00 O ATOM 40 CB GLN A 8 1.167 -2.270 9.437 1.00 0.00 C ATOM 41 CG GLN A 8 1.798 -3.415 10.249 1.00 0.00 C ATOM 42 CD GLN A 8 3.144 -3.881 9.719 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.470 -5.064 9.791 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.956 -2.953 9.229 1.00 0.00 N ATOM 0 H GLN A 8 2.482 -2.402 7.002 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.018 -3.508 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.896 -1.466 9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.322 -1.866 9.995 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.919 -3.090 11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.111 -4.261 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.651 -1.981 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.885 -3.212 8.897 1.00 0.00 H new ATOM 53 N VAL A 9 -1.213 -1.830 6.792 1.00 0.00 N ATOM 54 CA VAL A 9 -2.018 -0.828 6.092 1.00 0.00 C ATOM 55 C VAL A 9 -3.004 -0.135 7.023 1.00 0.00 C ATOM 56 O VAL A 9 -3.451 -0.708 8.021 1.00 0.00 O ATOM 57 CB VAL A 9 -2.809 -1.429 4.906 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.897 -1.668 3.721 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.494 -2.719 5.322 1.00 0.00 C ATOM 0 H VAL A 9 -1.635 -2.758 6.824 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.301 -0.100 5.712 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.575 -0.713 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.473 -2.091 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.454 -0.723 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.106 -2.362 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.046 -3.128 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.745 -3.440 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.184 -2.517 6.141 1.00 0.00 H new ATOM 69 N TYR A 10 -3.338 1.098 6.666 1.00 0.00 N ATOM 70 CA TYR A 10 -4.229 1.953 7.446 1.00 0.00 C ATOM 71 C TYR A 10 -4.948 2.912 6.509 1.00 0.00 C ATOM 72 O TYR A 10 -4.790 2.840 5.288 1.00 0.00 O ATOM 73 CB TYR A 10 -3.459 2.796 8.476 1.00 0.00 C ATOM 74 CG TYR A 10 -2.861 2.029 9.649 1.00 0.00 C ATOM 75 CD1 TYR A 10 -3.636 1.186 10.446 1.00 0.00 C ATOM 76 CD2 TYR A 10 -1.514 2.166 9.967 1.00 0.00 C ATOM 77 CE1 TYR A 10 -3.079 0.504 11.520 1.00 0.00 C ATOM 78 CE2 TYR A 10 -0.952 1.489 11.033 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.737 0.661 11.807 1.00 0.00 C ATOM 80 OH TYR A 10 -1.178 -0.012 12.870 1.00 0.00 O ATOM 0 H TYR A 10 -2.994 1.541 5.814 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.928 1.303 7.972 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.654 3.319 7.960 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.132 3.557 8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.686 1.062 10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.893 2.816 9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.692 -0.146 12.127 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.097 1.608 11.259 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.225 0.209 12.932 1.00 0.00 H new ATOM 90 N SER A 11 -5.735 3.804 7.080 1.00 0.00 N ATOM 91 CA SER A 11 -6.318 4.903 6.330 1.00 0.00 C ATOM 92 C SER A 11 -6.234 6.191 7.138 1.00 0.00 C ATOM 93 O SER A 11 -6.058 6.159 8.357 1.00 0.00 O ATOM 94 CB SER A 11 -7.774 4.606 5.989 1.00 0.00 C ATOM 95 OG SER A 11 -7.889 3.407 5.242 1.00 0.00 O ATOM 0 H SER A 11 -5.987 3.789 8.068 1.00 0.00 H new ATOM 0 HA SER A 11 -5.757 5.022 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.356 4.523 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.194 5.435 5.419 1.00 0.00 H new ATOM 0 HG SER A 11 -8.443 2.766 5.735 1.00 0.00 H new ATOM 101 N ARG A 12 -6.362 7.320 6.451 1.00 0.00 N ATOM 102 CA ARG A 12 -6.269 8.627 7.101 1.00 0.00 C ATOM 103 C ARG A 12 -7.639 9.053 7.630 1.00 0.00 C ATOM 104 O ARG A 12 -7.740 9.901 8.514 1.00 0.00 O ATOM 105 CB ARG A 12 -5.731 9.681 6.115 1.00 0.00 C ATOM 106 CG ARG A 12 -4.792 10.705 6.742 1.00 0.00 C ATOM 107 CD ARG A 12 -5.531 11.681 7.642 1.00 0.00 C ATOM 108 NE ARG A 12 -4.628 12.642 8.276 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.038 13.698 8.982 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.334 13.935 9.145 1.00 0.00 N ATOM 111 NH2 ARG A 12 -4.150 14.523 9.525 1.00 0.00 N ATOM 0 H ARG A 12 -6.530 7.360 5.446 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.577 8.548 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.206 9.171 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.574 10.206 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.026 10.188 7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.279 11.256 5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.277 12.218 7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.068 11.127 8.412 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.624 12.496 8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.023 13.308 8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.640 14.744 9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.152 14.350 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.466 15.329 10.064 1.00 0.00 H new ATOM 125 N HIS A 13 -8.687 8.442 7.094 1.00 0.00 N ATOM 126 CA HIS A 13 -10.059 8.823 7.423 1.00 0.00 C ATOM 127 C HIS A 13 -10.876 7.578 7.764 1.00 0.00 C ATOM 128 O HIS A 13 -10.461 6.462 7.447 1.00 0.00 O ATOM 129 CB HIS A 13 -10.703 9.558 6.238 1.00 0.00 C ATOM 130 CG HIS A 13 -9.919 10.741 5.751 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.390 10.773 4.483 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.608 11.895 6.389 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.773 11.936 4.378 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.875 12.651 5.507 1.00 0.00 N ATOM 0 H HIS A 13 -8.615 7.675 6.425 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.042 9.489 8.286 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.830 8.856 5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.699 9.891 6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.883 12.168 7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.251 12.269 3.493 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.484 13.577 5.678 1.00 0.00 H new ATOM 142 N PRO A 14 -12.041 7.748 8.418 1.00 0.00 N ATOM 143 CA PRO A 14 -12.941 6.634 8.751 1.00 0.00 C ATOM 144 C PRO A 14 -13.626 6.071 7.504 1.00 0.00 C ATOM 145 O PRO A 14 -14.092 6.832 6.654 1.00 0.00 O ATOM 146 CB PRO A 14 -13.990 7.262 9.682 1.00 0.00 C ATOM 147 CG PRO A 14 -13.455 8.618 10.033 1.00 0.00 C ATOM 148 CD PRO A 14 -12.584 9.032 8.880 1.00 0.00 C ATOM 0 HA PRO A 14 -12.401 5.803 9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.958 7.338 9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.136 6.654 10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.266 9.330 10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.884 8.584 10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.155 9.536 8.100 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.796 9.718 9.192 1.00 0.00 H new ATOM 156 N ALA A 15 -13.667 4.743 7.395 1.00 0.00 N ATOM 157 CA ALA A 15 -14.286 4.052 6.256 1.00 0.00 C ATOM 158 C ALA A 15 -15.725 4.504 6.012 1.00 0.00 C ATOM 159 O ALA A 15 -16.627 4.127 6.763 1.00 0.00 O ATOM 160 CB ALA A 15 -14.270 2.542 6.506 1.00 0.00 C ATOM 0 H ALA A 15 -13.272 4.112 8.093 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.705 4.303 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.729 2.028 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.240 2.203 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.829 2.318 7.414 1.00 0.00 H new ATOM 166 N GLU A 16 -15.949 5.318 4.980 1.00 0.00 N ATOM 167 CA GLU A 16 -17.311 5.689 4.610 1.00 0.00 C ATOM 168 C GLU A 16 -17.701 5.051 3.270 1.00 0.00 C ATOM 169 O GLU A 16 -17.049 5.282 2.249 1.00 0.00 O ATOM 170 CB GLU A 16 -17.470 7.211 4.532 1.00 0.00 C ATOM 171 CG GLU A 16 -17.778 7.875 5.869 1.00 0.00 C ATOM 172 CD GLU A 16 -19.062 7.369 6.484 1.00 0.00 C ATOM 173 OE1 GLU A 16 -19.008 6.458 7.329 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.137 7.886 6.122 1.00 0.00 O ATOM 0 H GLU A 16 -15.219 5.726 4.396 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.978 5.314 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.553 7.641 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.269 7.446 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.953 7.696 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.847 8.954 5.728 1.00 0.00 H new ATOM 181 N ASN A 17 -18.768 4.261 3.282 1.00 0.00 N ATOM 182 CA ASN A 17 -19.212 3.513 2.104 1.00 0.00 C ATOM 183 C ASN A 17 -19.834 4.443 1.056 1.00 0.00 C ATOM 184 O ASN A 17 -21.009 4.800 1.135 1.00 0.00 O ATOM 185 CB ASN A 17 -20.199 2.398 2.564 1.00 0.00 C ATOM 186 CG ASN A 17 -19.502 1.163 3.115 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.384 1.229 3.629 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.175 0.022 3.022 1.00 0.00 N ATOM 0 H ASN A 17 -19.352 4.119 4.106 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.355 3.045 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.862 2.803 3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.825 2.107 1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.768 -0.841 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.099 0.008 2.589 1.00 0.00 H new ATOM 195 N GLY A 18 -19.011 4.831 0.075 1.00 0.00 N ATOM 196 CA GLY A 18 -19.479 5.680 -1.014 1.00 0.00 C ATOM 197 C GLY A 18 -18.705 6.972 -1.172 1.00 0.00 C ATOM 198 O GLY A 18 -19.025 7.764 -2.057 1.00 0.00 O ATOM 0 H GLY A 18 -18.027 4.571 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.422 5.119 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.530 5.917 -0.849 1.00 0.00 H new ATOM 202 N LYS A 19 -17.693 7.223 -0.343 1.00 0.00 N ATOM 203 CA LYS A 19 -16.885 8.425 -0.563 1.00 0.00 C ATOM 204 C LYS A 19 -15.393 8.105 -0.595 1.00 0.00 C ATOM 205 O LYS A 19 -14.927 7.170 0.054 1.00 0.00 O ATOM 206 CB LYS A 19 -17.240 9.524 0.461 1.00 0.00 C ATOM 207 CG LYS A 19 -16.779 9.275 1.892 1.00 0.00 C ATOM 208 CD LYS A 19 -15.300 9.597 2.116 1.00 0.00 C ATOM 209 CE LYS A 19 -14.984 11.086 1.985 1.00 0.00 C ATOM 210 NZ LYS A 19 -15.837 11.930 2.862 1.00 0.00 N ATOM 0 H LYS A 19 -17.420 6.643 0.451 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.129 8.821 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.808 10.465 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.322 9.653 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.382 9.878 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.959 8.231 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.006 9.255 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.700 9.040 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.936 11.254 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.120 11.393 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.445 12.892 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.802 11.966 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.861 11.523 3.819 1.00 0.00 H new ATOM 224 N SER A 20 -14.670 8.864 -1.413 1.00 0.00 N ATOM 225 CA SER A 20 -13.250 8.636 -1.648 1.00 0.00 C ATOM 226 C SER A 20 -12.336 9.275 -0.592 1.00 0.00 C ATOM 227 O SER A 20 -12.643 10.323 -0.015 1.00 0.00 O ATOM 228 CB SER A 20 -12.896 9.122 -3.059 1.00 0.00 C ATOM 229 OG SER A 20 -13.627 10.294 -3.386 1.00 0.00 O ATOM 0 H SER A 20 -15.053 9.654 -1.931 1.00 0.00 H new ATOM 0 HA SER A 20 -13.071 7.564 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.827 9.325 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.114 8.338 -3.784 1.00 0.00 H new ATOM 0 HG SER A 20 -13.386 10.589 -4.289 1.00 0.00 H new ATOM 235 N ASN A 21 -11.188 8.627 -0.396 1.00 0.00 N ATOM 236 CA ASN A 21 -10.181 9.002 0.605 1.00 0.00 C ATOM 237 C ASN A 21 -8.837 8.492 0.079 1.00 0.00 C ATOM 238 O ASN A 21 -8.656 8.408 -1.135 1.00 0.00 O ATOM 239 CB ASN A 21 -10.463 8.366 1.977 1.00 0.00 C ATOM 240 CG ASN A 21 -11.871 8.588 2.510 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.790 7.840 2.191 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.043 9.589 3.356 1.00 0.00 N ATOM 0 H ASN A 21 -10.923 7.806 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.191 10.082 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.281 7.293 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.750 8.764 2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.962 9.759 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.257 10.192 3.599 1.00 0.00 H new ATOM 249 N PHE A 22 -7.915 8.093 0.961 1.00 0.00 N ATOM 250 CA PHE A 22 -6.596 7.630 0.525 1.00 0.00 C ATOM 251 C PHE A 22 -6.182 6.358 1.265 1.00 0.00 C ATOM 252 O PHE A 22 -6.271 6.298 2.494 1.00 0.00 O ATOM 253 CB PHE A 22 -5.543 8.718 0.760 1.00 0.00 C ATOM 254 CG PHE A 22 -5.642 9.873 -0.192 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.841 9.647 -1.541 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.519 11.178 0.256 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.919 10.699 -2.431 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.598 12.238 -0.629 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.798 11.998 -1.975 1.00 0.00 C ATOM 0 H PHE A 22 -8.056 8.081 1.971 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.661 7.409 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.641 9.091 1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.551 8.274 0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.937 8.634 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.360 11.370 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.074 10.507 -3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.504 13.252 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.860 12.823 -2.669 1.00 0.00 H new ATOM 269 N LEU A 23 -5.735 5.345 0.519 1.00 0.00 N ATOM 270 CA LEU A 23 -5.242 4.102 1.132 1.00 0.00 C ATOM 271 C LEU A 23 -3.755 4.234 1.433 1.00 0.00 C ATOM 272 O LEU A 23 -2.951 4.519 0.543 1.00 0.00 O ATOM 273 CB LEU A 23 -5.506 2.875 0.230 1.00 0.00 C ATOM 274 CG LEU A 23 -4.843 1.541 0.665 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.208 1.167 2.098 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.254 0.417 -0.276 1.00 0.00 C ATOM 0 H LEU A 23 -5.703 5.356 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.787 3.942 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.583 2.718 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.165 3.113 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.763 1.684 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.724 0.227 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.873 1.952 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.289 1.054 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.782 -0.513 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.337 0.301 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.937 0.658 -1.291 1.00 0.00 H new ATOM 288 N ASN A 24 -3.403 4.048 2.693 1.00 0.00 N ATOM 289 CA ASN A 24 -2.029 4.231 3.145 1.00 0.00 C ATOM 290 C ASN A 24 -1.385 2.900 3.547 1.00 0.00 C ATOM 291 O ASN A 24 -1.842 2.223 4.469 1.00 0.00 O ATOM 292 CB ASN A 24 -1.989 5.237 4.308 1.00 0.00 C ATOM 293 CG ASN A 24 -2.174 6.678 3.858 1.00 0.00 C ATOM 294 OD1 ASN A 24 -2.735 7.495 4.585 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.704 7.003 2.662 1.00 0.00 N ATOM 0 H ASN A 24 -4.052 3.768 3.428 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.447 4.630 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.769 4.984 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.035 5.145 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.802 7.958 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.244 6.298 2.086 1.00 0.00 H new ATOM 302 N CYS A 25 -0.324 2.532 2.831 1.00 0.00 N ATOM 303 CA CYS A 25 0.425 1.297 3.085 1.00 0.00 C ATOM 304 C CYS A 25 1.844 1.629 3.556 1.00 0.00 C ATOM 305 O CYS A 25 2.598 2.280 2.832 1.00 0.00 O ATOM 306 CB CYS A 25 0.496 0.470 1.792 1.00 0.00 C ATOM 307 SG CYS A 25 1.749 -0.851 1.815 1.00 0.00 S ATOM 0 H CYS A 25 0.044 3.082 2.055 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.082 0.725 3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.481 0.025 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.706 1.139 0.958 1.00 0.00 H new ATOM 312 N TYR A 26 2.201 1.210 4.769 1.00 0.00 N ATOM 313 CA TYR A 26 3.539 1.485 5.301 1.00 0.00 C ATOM 314 C TYR A 26 4.454 0.287 5.121 1.00 0.00 C ATOM 315 O TYR A 26 4.219 -0.773 5.707 1.00 0.00 O ATOM 316 CB TYR A 26 3.493 1.823 6.797 1.00 0.00 C ATOM 317 CG TYR A 26 2.538 2.929 7.158 1.00 0.00 C ATOM 318 CD1 TYR A 26 2.960 4.250 7.218 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.213 2.647 7.432 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.076 5.264 7.537 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.322 3.652 7.755 1.00 0.00 C ATOM 322 CZ TYR A 26 0.759 4.959 7.803 1.00 0.00 C ATOM 323 OH TYR A 26 -0.126 5.964 8.121 1.00 0.00 O ATOM 0 H TYR A 26 1.592 0.685 5.397 1.00 0.00 H new ATOM 0 HA TYR A 26 3.923 2.339 4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.216 0.926 7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.494 2.103 7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.993 4.489 7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.869 1.624 7.393 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.416 6.288 7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.710 3.416 7.969 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.014 5.580 8.279 1.00 0.00 H new ATOM 333 N VAL A 27 5.501 0.449 4.330 1.00 0.00 N ATOM 334 CA VAL A 27 6.498 -0.591 4.160 1.00 0.00 C ATOM 335 C VAL A 27 7.785 -0.177 4.886 1.00 0.00 C ATOM 336 O VAL A 27 8.495 0.725 4.446 1.00 0.00 O ATOM 337 CB VAL A 27 6.768 -0.830 2.654 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.769 -1.952 2.444 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.467 -1.135 1.917 1.00 0.00 C ATOM 0 H VAL A 27 5.682 1.297 3.793 1.00 0.00 H new ATOM 0 HA VAL A 27 6.133 -1.524 4.589 1.00 0.00 H new ATOM 0 HB VAL A 27 7.197 0.085 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.937 -2.095 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.711 -1.695 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.379 -2.873 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.677 -1.300 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.010 -2.030 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.783 -0.293 2.024 1.00 0.00 H new ATOM 349 N SER A 28 8.069 -0.830 6.008 1.00 0.00 N ATOM 350 CA SER A 28 9.148 -0.402 6.891 1.00 0.00 C ATOM 351 C SER A 28 10.287 -1.426 6.931 1.00 0.00 C ATOM 352 O SER A 28 10.048 -2.630 6.854 1.00 0.00 O ATOM 353 CB SER A 28 8.582 -0.187 8.302 1.00 0.00 C ATOM 354 OG SER A 28 9.573 0.261 9.212 1.00 0.00 O ATOM 0 H SER A 28 7.567 -1.658 6.328 1.00 0.00 H new ATOM 0 HA SER A 28 9.562 0.530 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.773 0.542 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.152 -1.120 8.666 1.00 0.00 H new ATOM 0 HG SER A 28 9.171 0.387 10.097 1.00 0.00 H new ATOM 360 N GLY A 29 11.524 -0.935 7.033 1.00 0.00 N ATOM 361 CA GLY A 29 12.674 -1.815 7.203 1.00 0.00 C ATOM 362 C GLY A 29 13.430 -2.072 5.914 1.00 0.00 C ATOM 363 O GLY A 29 14.588 -2.488 5.941 1.00 0.00 O ATOM 0 H GLY A 29 11.750 0.059 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.354 -1.376 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.337 -2.767 7.614 1.00 0.00 H new ATOM 367 N PHE A 30 12.791 -1.802 4.787 1.00 0.00 N ATOM 368 CA PHE A 30 13.366 -2.130 3.488 1.00 0.00 C ATOM 369 C PHE A 30 14.032 -0.916 2.854 1.00 0.00 C ATOM 370 O PHE A 30 13.653 0.223 3.121 1.00 0.00 O ATOM 371 CB PHE A 30 12.277 -2.666 2.559 1.00 0.00 C ATOM 372 CG PHE A 30 11.610 -3.926 3.081 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.002 -5.179 2.625 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.599 -3.856 4.035 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.399 -6.333 3.106 1.00 0.00 C ATOM 376 CE2 PHE A 30 9.996 -5.006 4.520 1.00 0.00 C ATOM 377 CZ PHE A 30 10.396 -6.243 4.053 1.00 0.00 C ATOM 0 H PHE A 30 11.874 -1.357 4.743 1.00 0.00 H new ATOM 0 HA PHE A 30 14.128 -2.894 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.520 -1.895 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.712 -2.872 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.786 -5.256 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.280 -2.892 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.713 -7.300 2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.214 -4.935 5.262 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.925 -7.140 4.428 1.00 0.00 H new ATOM 387 N HIS A 31 15.023 -1.168 2.007 1.00 0.00 N ATOM 388 CA HIS A 31 15.719 -0.101 1.301 1.00 0.00 C ATOM 389 C HIS A 31 14.936 0.269 0.050 1.00 0.00 C ATOM 390 O HIS A 31 14.790 -0.552 -0.851 1.00 0.00 O ATOM 391 CB HIS A 31 17.138 -0.537 0.918 1.00 0.00 C ATOM 392 CG HIS A 31 17.984 -0.951 2.083 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.330 -2.268 2.283 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.542 -0.195 3.060 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.087 -2.283 3.368 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.242 -1.052 3.871 1.00 0.00 N ATOM 0 H HIS A 31 15.363 -2.105 1.792 1.00 0.00 H new ATOM 0 HA HIS A 31 15.794 0.765 1.958 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.074 -1.368 0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.631 0.284 0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.453 0.875 3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.524 -3.174 3.793 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.779 -0.799 4.700 1.00 0.00 H new ATOM 404 N PRO A 32 14.447 1.517 -0.018 1.00 0.00 N ATOM 405 CA PRO A 32 13.505 1.985 -1.062 1.00 0.00 C ATOM 406 C PRO A 32 13.974 1.769 -2.506 1.00 0.00 C ATOM 407 O PRO A 32 13.203 1.964 -3.444 1.00 0.00 O ATOM 408 CB PRO A 32 13.394 3.488 -0.779 1.00 0.00 C ATOM 409 CG PRO A 32 13.704 3.616 0.670 1.00 0.00 C ATOM 410 CD PRO A 32 14.766 2.591 0.944 1.00 0.00 C ATOM 0 HA PRO A 32 12.573 1.423 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.095 4.060 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.396 3.862 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.056 4.620 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.818 3.436 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.766 2.993 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.728 2.235 1.974 1.00 0.00 H new ATOM 418 N SER A 33 15.221 1.374 -2.687 1.00 0.00 N ATOM 419 CA SER A 33 15.782 1.224 -4.018 1.00 0.00 C ATOM 420 C SER A 33 15.371 -0.100 -4.682 1.00 0.00 C ATOM 421 O SER A 33 14.948 -0.114 -5.842 1.00 0.00 O ATOM 422 CB SER A 33 17.306 1.350 -3.936 1.00 0.00 C ATOM 423 OG SER A 33 17.815 0.611 -2.834 1.00 0.00 O ATOM 0 H SER A 33 15.865 1.151 -1.928 1.00 0.00 H new ATOM 0 HA SER A 33 15.381 2.017 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.756 0.988 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.584 2.399 -3.835 1.00 0.00 H new ATOM 0 HG SER A 33 18.043 -0.296 -3.126 1.00 0.00 H new ATOM 429 N ASP A 34 15.471 -1.210 -3.951 1.00 0.00 N ATOM 430 CA ASP A 34 15.286 -2.535 -4.555 1.00 0.00 C ATOM 431 C ASP A 34 14.003 -3.220 -4.088 1.00 0.00 C ATOM 432 O ASP A 34 13.966 -4.447 -3.966 1.00 0.00 O ATOM 433 CB ASP A 34 16.478 -3.448 -4.233 1.00 0.00 C ATOM 434 CG ASP A 34 17.813 -2.822 -4.585 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.280 -3.010 -5.728 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.406 -2.137 -3.718 1.00 0.00 O ATOM 0 H ASP A 34 15.676 -1.222 -2.952 1.00 0.00 H new ATOM 0 HA ASP A 34 15.214 -2.372 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.466 -3.692 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.368 -4.386 -4.777 1.00 0.00 H new ATOM 441 N ILE A 35 12.946 -2.458 -3.826 1.00 0.00 N ATOM 442 CA ILE A 35 11.700 -3.073 -3.392 1.00 0.00 C ATOM 443 C ILE A 35 10.576 -2.718 -4.334 1.00 0.00 C ATOM 444 O ILE A 35 10.668 -1.767 -5.113 1.00 0.00 O ATOM 445 CB ILE A 35 11.288 -2.705 -1.935 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.284 -1.534 -1.907 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.510 -2.389 -1.082 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.760 -1.224 -0.521 1.00 0.00 C ATOM 0 H ILE A 35 12.926 -1.441 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 35 11.884 -4.147 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 35 10.792 -3.577 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.764 -0.644 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.444 -1.770 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.192 -2.136 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.166 -3.259 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.048 -1.546 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.059 -0.391 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.251 -2.101 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.592 -0.957 0.131 1.00 0.00 H new ATOM 460 N GLU A 36 9.523 -3.500 -4.265 1.00 0.00 N ATOM 461 CA GLU A 36 8.418 -3.352 -5.147 1.00 0.00 C ATOM 462 C GLU A 36 7.111 -3.481 -4.374 1.00 0.00 C ATOM 463 O GLU A 36 6.851 -4.501 -3.738 1.00 0.00 O ATOM 464 CB GLU A 36 8.565 -4.434 -6.168 1.00 0.00 C ATOM 465 CG GLU A 36 8.537 -3.929 -7.604 1.00 0.00 C ATOM 466 CD GLU A 36 7.254 -3.214 -7.948 1.00 0.00 C ATOM 467 OE1 GLU A 36 7.132 -2.015 -7.630 1.00 0.00 O ATOM 468 OE2 GLU A 36 6.370 -3.851 -8.553 1.00 0.00 O ATOM 0 H GLU A 36 9.421 -4.256 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 36 8.399 -2.372 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.504 -4.959 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.764 -5.161 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.378 -3.254 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.672 -4.771 -8.283 1.00 0.00 H new ATOM 475 N VAL A 37 6.323 -2.431 -4.425 1.00 0.00 N ATOM 476 CA VAL A 37 5.070 -2.338 -3.658 1.00 0.00 C ATOM 477 C VAL A 37 3.939 -1.745 -4.514 1.00 0.00 C ATOM 478 O VAL A 37 4.154 -0.792 -5.263 1.00 0.00 O ATOM 479 CB VAL A 37 5.255 -1.510 -2.332 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.531 -0.686 -2.372 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.064 -0.600 -2.058 1.00 0.00 C ATOM 0 H VAL A 37 6.520 -1.609 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 37 4.791 -3.353 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 37 5.325 -2.233 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.631 -0.125 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.388 -1.349 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.490 0.008 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.233 -0.047 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.945 0.101 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.161 -1.202 -1.960 1.00 0.00 H new ATOM 491 N ASP A 38 2.736 -2.321 -4.398 1.00 0.00 N ATOM 492 CA ASP A 38 1.548 -1.813 -5.100 1.00 0.00 C ATOM 493 C ASP A 38 0.353 -1.787 -4.142 1.00 0.00 C ATOM 494 O ASP A 38 0.385 -2.408 -3.078 1.00 0.00 O ATOM 495 CB ASP A 38 1.152 -2.697 -6.315 1.00 0.00 C ATOM 496 CG ASP A 38 2.203 -2.817 -7.397 1.00 0.00 C ATOM 497 OD1 ASP A 38 2.554 -1.794 -8.018 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.627 -3.963 -7.671 1.00 0.00 O ATOM 0 H ASP A 38 2.558 -3.144 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 38 1.801 -0.815 -5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.911 -3.696 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.243 -2.291 -6.758 1.00 0.00 H new ATOM 503 N LEU A 39 -0.710 -1.091 -4.544 1.00 0.00 N ATOM 504 CA LEU A 39 -1.965 -1.092 -3.794 1.00 0.00 C ATOM 505 C LEU A 39 -3.018 -1.888 -4.576 1.00 0.00 C ATOM 506 O LEU A 39 -3.233 -1.637 -5.765 1.00 0.00 O ATOM 507 CB LEU A 39 -2.441 0.345 -3.510 1.00 0.00 C ATOM 508 CG LEU A 39 -1.892 0.990 -2.216 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.392 1.233 -2.290 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.606 2.295 -1.919 1.00 0.00 C ATOM 0 H LEU A 39 -0.727 -0.518 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.807 -1.570 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.161 0.974 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.530 0.344 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.080 0.283 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.051 1.687 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.123 0.284 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.172 1.902 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.203 2.730 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.457 2.988 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.672 2.106 -1.792 1.00 0.00 H new ATOM 522 N LEU A 40 -3.641 -2.868 -3.917 1.00 0.00 N ATOM 523 CA LEU A 40 -4.502 -3.847 -4.591 1.00 0.00 C ATOM 524 C LEU A 40 -5.941 -3.877 -4.073 1.00 0.00 C ATOM 525 O LEU A 40 -6.276 -3.283 -3.048 1.00 0.00 O ATOM 526 CB LEU A 40 -3.957 -5.261 -4.402 1.00 0.00 C ATOM 527 CG LEU A 40 -2.532 -5.534 -4.873 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.351 -7.033 -5.041 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.211 -4.819 -6.177 1.00 0.00 C ATOM 0 H LEU A 40 -3.565 -3.006 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.505 -3.532 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.013 -5.504 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.622 -5.950 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.843 -5.149 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.335 -7.241 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.526 -7.530 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.061 -7.405 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.186 -5.044 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.895 -5.157 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.321 -3.743 -6.039 1.00 0.00 H new ATOM 541 N LYS A 41 -6.773 -4.612 -4.814 1.00 0.00 N ATOM 542 CA LYS A 41 -8.121 -4.981 -4.406 1.00 0.00 C ATOM 543 C LYS A 41 -8.252 -6.486 -4.495 1.00 0.00 C ATOM 544 O LYS A 41 -8.428 -7.001 -5.594 1.00 0.00 O ATOM 545 CB LYS A 41 -9.173 -4.396 -5.360 1.00 0.00 C ATOM 546 CG LYS A 41 -8.774 -3.058 -5.956 1.00 0.00 C ATOM 547 CD LYS A 41 -9.790 -2.498 -6.977 1.00 0.00 C ATOM 548 CE LYS A 41 -11.232 -2.419 -6.440 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.313 -1.690 -5.148 1.00 0.00 N ATOM 0 H LYS A 41 -6.518 -4.973 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.283 -4.602 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.353 -5.105 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.114 -4.279 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.649 -2.335 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.805 -3.163 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.471 -1.502 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.778 -3.125 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.865 -1.922 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.625 -3.427 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.308 -1.484 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.905 -2.276 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.783 -0.798 -5.219 1.00 0.00 H new ATOM 563 N ASN A 42 -8.218 -7.192 -3.370 1.00 0.00 N ATOM 564 CA ASN A 42 -8.351 -8.652 -3.397 1.00 0.00 C ATOM 565 C ASN A 42 -7.370 -9.257 -4.411 1.00 0.00 C ATOM 566 O ASN A 42 -7.725 -10.158 -5.171 1.00 0.00 O ATOM 567 CB ASN A 42 -9.795 -9.035 -3.798 1.00 0.00 C ATOM 568 CG ASN A 42 -10.868 -8.162 -3.201 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.489 -8.506 -2.205 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.104 -7.030 -3.861 1.00 0.00 N ATOM 0 H ASN A 42 -8.102 -6.789 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.127 -9.042 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.878 -8.997 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.978 -10.067 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.836 -6.396 -3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.552 -6.796 -4.687 1.00 0.00 H new ATOM 577 N GLY A 43 -6.138 -8.757 -4.413 1.00 0.00 N ATOM 578 CA GLY A 43 -5.160 -9.215 -5.389 1.00 0.00 C ATOM 579 C GLY A 43 -5.341 -8.627 -6.791 1.00 0.00 C ATOM 580 O GLY A 43 -4.898 -9.226 -7.770 1.00 0.00 O ATOM 0 H GLY A 43 -5.799 -8.048 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.162 -8.965 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.212 -10.302 -5.455 1.00 0.00 H new ATOM 584 N GLU A 44 -5.956 -7.454 -6.901 1.00 0.00 N ATOM 585 CA GLU A 44 -6.217 -6.846 -8.208 1.00 0.00 C ATOM 586 C GLU A 44 -5.662 -5.417 -8.217 1.00 0.00 C ATOM 587 O GLU A 44 -6.034 -4.593 -7.384 1.00 0.00 O ATOM 588 CB GLU A 44 -7.731 -6.890 -8.510 1.00 0.00 C ATOM 589 CG GLU A 44 -8.147 -6.436 -9.910 1.00 0.00 C ATOM 590 CD GLU A 44 -8.591 -4.988 -9.961 1.00 0.00 C ATOM 591 OE1 GLU A 44 -7.884 -4.172 -10.584 1.00 0.00 O ATOM 592 OE2 GLU A 44 -9.664 -4.670 -9.400 1.00 0.00 O ATOM 0 H GLU A 44 -6.283 -6.905 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.714 -7.404 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.082 -7.911 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.246 -6.266 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.310 -6.577 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.959 -7.071 -10.264 1.00 0.00 H new ATOM 599 N ARG A 45 -4.730 -5.168 -9.129 1.00 0.00 N ATOM 600 CA ARG A 45 -3.985 -3.906 -9.198 1.00 0.00 C ATOM 601 C ARG A 45 -4.910 -2.702 -9.427 1.00 0.00 C ATOM 602 O ARG A 45 -5.528 -2.566 -10.481 1.00 0.00 O ATOM 603 CB ARG A 45 -2.948 -4.008 -10.334 1.00 0.00 C ATOM 604 CG ARG A 45 -1.600 -3.360 -10.036 1.00 0.00 C ATOM 605 CD ARG A 45 -0.663 -3.391 -11.250 1.00 0.00 C ATOM 606 NE ARG A 45 -1.167 -2.562 -12.347 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.435 -1.651 -12.992 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.813 -1.409 -12.617 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.959 -0.959 -13.996 1.00 0.00 N ATOM 0 H ARG A 45 -4.464 -5.839 -9.850 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.487 -3.744 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.785 -5.061 -10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.366 -3.547 -11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.756 -2.327 -9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.127 -3.876 -9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.326 -3.041 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.548 -4.419 -11.594 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.137 -2.689 -12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.218 -1.920 -11.832 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.368 -0.712 -13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.926 -1.122 -14.278 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.395 -0.264 -14.485 1.00 0.00 H new ATOM 623 N ILE A 46 -4.966 -1.823 -8.419 1.00 0.00 N ATOM 624 CA ILE A 46 -5.814 -0.628 -8.449 1.00 0.00 C ATOM 625 C ILE A 46 -5.427 0.307 -9.594 1.00 0.00 C ATOM 626 O ILE A 46 -6.246 0.572 -10.468 1.00 0.00 O ATOM 627 CB ILE A 46 -5.731 0.135 -7.108 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.169 -0.784 -5.962 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.588 1.403 -7.149 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.060 -0.169 -4.590 1.00 0.00 C ATOM 0 H ILE A 46 -4.424 -1.921 -7.560 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.838 -0.964 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.698 0.440 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.203 -1.085 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.564 -1.691 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.514 1.923 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.234 2.056 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.628 1.134 -7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.390 -0.889 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.023 0.106 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.687 0.721 -4.539 1.00 0.00 H new ATOM 642 N GLU A 47 -4.225 0.892 -9.480 1.00 0.00 N ATOM 643 CA GLU A 47 -3.494 1.555 -10.587 1.00 0.00 C ATOM 644 C GLU A 47 -3.242 3.022 -10.280 1.00 0.00 C ATOM 645 O GLU A 47 -2.196 3.552 -10.648 1.00 0.00 O ATOM 646 CB GLU A 47 -4.173 1.475 -11.969 1.00 0.00 C ATOM 647 CG GLU A 47 -4.237 0.087 -12.581 1.00 0.00 C ATOM 648 CD GLU A 47 -4.235 0.121 -14.096 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.523 -0.705 -14.708 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.919 0.985 -14.683 1.00 0.00 O ATOM 0 H GLU A 47 -3.716 0.922 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.564 0.990 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.188 1.862 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.640 2.133 -12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.387 -0.500 -12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.138 -0.419 -12.233 1.00 0.00 H new ATOM 657 N LYS A 48 -4.175 3.689 -9.598 1.00 0.00 N ATOM 658 CA LYS A 48 -4.073 5.131 -9.403 1.00 0.00 C ATOM 659 C LYS A 48 -3.166 5.433 -8.221 1.00 0.00 C ATOM 660 O LYS A 48 -3.542 6.161 -7.304 1.00 0.00 O ATOM 661 CB LYS A 48 -5.463 5.740 -9.142 1.00 0.00 C ATOM 662 CG LYS A 48 -6.576 5.237 -10.070 1.00 0.00 C ATOM 663 CD LYS A 48 -6.199 5.364 -11.541 1.00 0.00 C ATOM 664 CE LYS A 48 -5.989 6.817 -11.948 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.251 7.602 -11.893 1.00 0.00 N ATOM 0 H LYS A 48 -4.998 3.258 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.654 5.570 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.747 5.530 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.392 6.823 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.794 4.194 -9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.488 5.802 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.288 4.798 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.984 4.924 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.250 7.274 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.583 6.855 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.097 8.538 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.995 7.100 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.545 7.718 -10.902 1.00 0.00 H new ATOM 679 N VAL A 49 -1.972 4.884 -8.254 1.00 0.00 N ATOM 680 CA VAL A 49 -1.047 5.015 -7.153 1.00 0.00 C ATOM 681 C VAL A 49 0.216 5.667 -7.682 1.00 0.00 C ATOM 682 O VAL A 49 0.706 5.304 -8.758 1.00 0.00 O ATOM 683 CB VAL A 49 -0.744 3.637 -6.483 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.639 3.110 -6.828 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.898 3.720 -4.978 1.00 0.00 C ATOM 0 H VAL A 49 -1.618 4.338 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.488 5.636 -6.373 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.475 2.935 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.796 2.150 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.721 2.982 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.394 3.819 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.681 2.747 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.204 4.461 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.919 4.011 -4.732 1.00 0.00 H new ATOM 695 N GLU A 50 0.702 6.671 -6.975 1.00 0.00 N ATOM 696 CA GLU A 50 1.894 7.376 -7.416 1.00 0.00 C ATOM 697 C GLU A 50 2.783 7.745 -6.236 1.00 0.00 C ATOM 698 O GLU A 50 2.406 8.561 -5.395 1.00 0.00 O ATOM 699 CB GLU A 50 1.530 8.663 -8.185 1.00 0.00 C ATOM 700 CG GLU A 50 0.675 8.473 -9.441 1.00 0.00 C ATOM 701 CD GLU A 50 0.411 9.785 -10.145 1.00 0.00 C ATOM 702 OE1 GLU A 50 0.986 9.997 -11.234 1.00 0.00 O ATOM 703 OE2 GLU A 50 -0.363 10.609 -9.617 1.00 0.00 O ATOM 0 H GLU A 50 0.297 7.014 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 50 2.434 6.700 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.000 9.331 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.454 9.166 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.179 7.789 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.273 8.010 -9.168 1.00 0.00 H new ATOM 710 N HIS A 51 3.948 7.121 -6.170 1.00 0.00 N ATOM 711 CA HIS A 51 5.012 7.571 -5.298 1.00 0.00 C ATOM 712 C HIS A 51 6.321 7.065 -5.871 1.00 0.00 C ATOM 713 O HIS A 51 6.423 5.899 -6.254 1.00 0.00 O ATOM 714 CB HIS A 51 4.815 7.066 -3.870 1.00 0.00 C ATOM 715 CG HIS A 51 5.545 7.881 -2.841 1.00 0.00 C ATOM 716 ND1 HIS A 51 4.867 8.745 -2.016 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.872 7.939 -2.542 1.00 0.00 C ATOM 718 CE1 HIS A 51 5.778 9.301 -1.241 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.007 8.845 -1.523 1.00 0.00 N ATOM 0 H HIS A 51 4.179 6.292 -6.718 1.00 0.00 H new ATOM 0 HA HIS A 51 5.013 8.660 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.750 7.068 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.152 6.031 -3.809 1.00 0.00 H new ATOM 0 HD1 HIS A 51 3.862 8.921 -2.005 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.665 7.379 -3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.561 10.032 -0.476 1.00 0.00 H new ATOM 727 N SER A 52 7.309 7.923 -5.949 1.00 0.00 N ATOM 728 CA SER A 52 8.525 7.589 -6.664 1.00 0.00 C ATOM 729 C SER A 52 9.593 7.031 -5.741 1.00 0.00 C ATOM 730 O SER A 52 9.891 7.602 -4.691 1.00 0.00 O ATOM 731 CB SER A 52 9.047 8.843 -7.367 1.00 0.00 C ATOM 732 OG SER A 52 9.112 9.936 -6.463 1.00 0.00 O ATOM 0 H SER A 52 7.300 8.853 -5.530 1.00 0.00 H new ATOM 0 HA SER A 52 8.291 6.813 -7.393 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.036 8.648 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.395 9.095 -8.203 1.00 0.00 H new ATOM 0 HG SER A 52 9.299 9.603 -5.560 1.00 0.00 H new ATOM 738 N ASP A 53 10.143 5.891 -6.147 1.00 0.00 N ATOM 739 CA ASP A 53 11.260 5.272 -5.447 1.00 0.00 C ATOM 740 C ASP A 53 12.513 6.118 -5.623 1.00 0.00 C ATOM 741 O ASP A 53 12.599 6.922 -6.552 1.00 0.00 O ATOM 742 CB ASP A 53 11.507 3.854 -5.976 1.00 0.00 C ATOM 743 CG ASP A 53 11.836 3.828 -7.461 1.00 0.00 C ATOM 744 OD1 ASP A 53 10.892 3.799 -8.283 1.00 0.00 O ATOM 745 OD2 ASP A 53 13.034 3.833 -7.813 1.00 0.00 O ATOM 0 H ASP A 53 9.828 5.373 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 53 11.015 5.209 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.327 3.401 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.622 3.244 -5.794 1.00 0.00 H new ATOM 750 N LEU A 54 13.480 5.949 -4.736 1.00 0.00 N ATOM 751 CA LEU A 54 14.681 6.770 -4.779 1.00 0.00 C ATOM 752 C LEU A 54 15.945 5.948 -4.523 1.00 0.00 C ATOM 753 O LEU A 54 16.541 6.021 -3.453 1.00 0.00 O ATOM 754 CB LEU A 54 14.606 7.994 -3.810 1.00 0.00 C ATOM 755 CG LEU A 54 13.865 7.851 -2.439 1.00 0.00 C ATOM 756 CD1 LEU A 54 12.364 7.614 -2.597 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.473 6.765 -1.557 1.00 0.00 C ATOM 0 H LEU A 54 13.459 5.259 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 54 14.739 7.165 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.629 8.304 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.132 8.811 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 54 14.002 8.811 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.904 7.523 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.917 8.453 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.198 6.696 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.922 6.708 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.416 5.805 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.516 7.005 -1.351 1.00 0.00 H new ATOM 769 N SER A 55 16.370 5.168 -5.514 1.00 0.00 N ATOM 770 CA SER A 55 17.625 4.425 -5.423 1.00 0.00 C ATOM 771 C SER A 55 18.828 5.358 -5.283 1.00 0.00 C ATOM 772 O SER A 55 19.929 4.919 -4.954 1.00 0.00 O ATOM 773 CB SER A 55 17.786 3.555 -6.667 1.00 0.00 C ATOM 774 OG SER A 55 16.637 2.750 -6.864 1.00 0.00 O ATOM 0 H SER A 55 15.864 5.034 -6.389 1.00 0.00 H new ATOM 0 HA SER A 55 17.587 3.801 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.949 4.186 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.667 2.922 -6.563 1.00 0.00 H new ATOM 0 HG SER A 55 16.756 2.200 -7.666 1.00 0.00 H new ATOM 780 N PHE A 56 18.607 6.643 -5.518 1.00 0.00 N ATOM 781 CA PHE A 56 19.663 7.640 -5.396 1.00 0.00 C ATOM 782 C PHE A 56 19.842 8.043 -3.940 1.00 0.00 C ATOM 783 O PHE A 56 20.649 8.916 -3.613 1.00 0.00 O ATOM 784 CB PHE A 56 19.340 8.871 -6.244 1.00 0.00 C ATOM 785 CG PHE A 56 19.277 8.583 -7.715 1.00 0.00 C ATOM 786 CD1 PHE A 56 18.073 8.263 -8.322 1.00 0.00 C ATOM 787 CD2 PHE A 56 20.423 8.627 -8.490 1.00 0.00 C ATOM 788 CE1 PHE A 56 18.013 7.995 -9.673 1.00 0.00 C ATOM 789 CE2 PHE A 56 20.369 8.360 -9.843 1.00 0.00 C ATOM 790 CZ PHE A 56 19.163 8.043 -10.434 1.00 0.00 C ATOM 0 H PHE A 56 17.702 7.022 -5.796 1.00 0.00 H new ATOM 0 HA PHE A 56 20.593 7.202 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 56 18.384 9.284 -5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 56 20.096 9.636 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.171 8.223 -7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.369 8.873 -8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.068 7.748 -10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.269 8.399 -10.438 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.119 7.832 -11.492 1.00 0.00 H new ATOM 800 N SER A 57 19.077 7.408 -3.070 1.00 0.00 N ATOM 801 CA SER A 57 19.154 7.679 -1.655 1.00 0.00 C ATOM 802 C SER A 57 19.478 6.409 -0.882 1.00 0.00 C ATOM 803 O SER A 57 18.616 5.552 -0.686 1.00 0.00 O ATOM 804 CB SER A 57 17.835 8.273 -1.163 1.00 0.00 C ATOM 805 OG SER A 57 17.508 9.450 -1.882 1.00 0.00 O ATOM 0 H SER A 57 18.392 6.697 -3.326 1.00 0.00 H new ATOM 0 HA SER A 57 19.954 8.399 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.037 7.539 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.909 8.501 -0.100 1.00 0.00 H new ATOM 0 HG SER A 57 16.659 9.811 -1.550 1.00 0.00 H new ATOM 811 N LYS A 58 20.734 6.275 -0.477 1.00 0.00 N ATOM 812 CA LYS A 58 21.122 5.216 0.444 1.00 0.00 C ATOM 813 C LYS A 58 20.668 5.618 1.835 1.00 0.00 C ATOM 814 O LYS A 58 20.426 4.784 2.711 1.00 0.00 O ATOM 815 CB LYS A 58 22.639 5.002 0.426 1.00 0.00 C ATOM 816 CG LYS A 58 23.433 6.204 0.924 1.00 0.00 C ATOM 817 CD LYS A 58 24.922 5.909 1.001 1.00 0.00 C ATOM 818 CE LYS A 58 25.539 5.741 -0.376 1.00 0.00 C ATOM 819 NZ LYS A 58 26.993 5.442 -0.294 1.00 0.00 N ATOM 0 H LYS A 58 21.498 6.884 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 58 20.655 4.278 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 58 22.882 4.136 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.952 4.767 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 58 23.265 7.051 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.070 6.496 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.426 6.719 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.083 5.002 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.031 4.936 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.387 6.651 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.380 5.334 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.481 6.222 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.137 4.560 0.239 1.00 0.00 H new ATOM 833 N ASP A 59 20.575 6.927 2.009 1.00 0.00 N ATOM 834 CA ASP A 59 20.061 7.526 3.219 1.00 0.00 C ATOM 835 C ASP A 59 18.541 7.472 3.217 1.00 0.00 C ATOM 836 O ASP A 59 17.889 7.849 2.245 1.00 0.00 O ATOM 837 CB ASP A 59 20.550 8.974 3.352 1.00 0.00 C ATOM 838 CG ASP A 59 20.151 9.853 2.177 1.00 0.00 C ATOM 839 OD1 ASP A 59 19.305 10.751 2.360 1.00 0.00 O ATOM 840 OD2 ASP A 59 20.696 9.662 1.065 1.00 0.00 O ATOM 0 H ASP A 59 20.859 7.606 1.303 1.00 0.00 H new ATOM 0 HA ASP A 59 20.431 6.963 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.149 9.403 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.636 8.976 3.447 1.00 0.00 H new ATOM 845 N TRP A 60 17.990 6.991 4.310 1.00 0.00 N ATOM 846 CA TRP A 60 16.557 6.835 4.441 1.00 0.00 C ATOM 847 C TRP A 60 16.173 6.919 5.910 1.00 0.00 C ATOM 848 O TRP A 60 15.901 5.916 6.574 1.00 0.00 O ATOM 849 CB TRP A 60 16.100 5.512 3.808 1.00 0.00 C ATOM 850 CG TRP A 60 14.656 5.182 4.047 1.00 0.00 C ATOM 851 CD1 TRP A 60 13.555 5.951 3.735 1.00 0.00 C ATOM 852 CD2 TRP A 60 14.149 3.981 4.651 1.00 0.00 C ATOM 853 NE1 TRP A 60 12.413 5.298 4.124 1.00 0.00 N ATOM 854 CE2 TRP A 60 12.751 4.100 4.680 1.00 0.00 C ATOM 855 CE3 TRP A 60 14.735 2.813 5.181 1.00 0.00 C ATOM 856 CZ2 TRP A 60 11.927 3.120 5.201 1.00 0.00 C ATOM 857 CZ3 TRP A 60 13.907 1.835 5.699 1.00 0.00 C ATOM 858 CH2 TRP A 60 12.516 1.994 5.707 1.00 0.00 C ATOM 0 H TRP A 60 18.520 6.698 5.131 1.00 0.00 H new ATOM 0 HA TRP A 60 16.050 7.639 3.907 1.00 0.00 H new ATOM 0 HB2 TRP A 60 16.278 5.556 2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 60 16.716 4.703 4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 60 13.587 6.919 3.257 1.00 0.00 H new ATOM 0 HE1 TRP A 60 11.463 5.652 4.015 1.00 0.00 H new ATOM 0 HE3 TRP A 60 15.807 2.685 5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.854 3.239 5.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 14.340 0.933 6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.896 1.212 6.121 1.00 0.00 H new ATOM 869 N SER A 61 16.217 8.128 6.426 1.00 0.00 N ATOM 870 CA SER A 61 15.752 8.402 7.763 1.00 0.00 C ATOM 871 C SER A 61 14.351 9.016 7.702 1.00 0.00 C ATOM 872 O SER A 61 14.144 10.168 8.083 1.00 0.00 O ATOM 873 CB SER A 61 16.747 9.325 8.473 1.00 0.00 C ATOM 874 OG SER A 61 17.349 10.219 7.549 1.00 0.00 O ATOM 0 H SER A 61 16.575 8.944 5.930 1.00 0.00 H new ATOM 0 HA SER A 61 15.687 7.477 8.336 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.235 9.890 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.516 8.729 8.964 1.00 0.00 H new ATOM 0 HG SER A 61 17.980 10.802 8.021 1.00 0.00 H new ATOM 880 N PHE A 62 13.391 8.235 7.197 1.00 0.00 N ATOM 881 CA PHE A 62 12.001 8.666 7.134 1.00 0.00 C ATOM 882 C PHE A 62 11.063 7.462 7.044 1.00 0.00 C ATOM 883 O PHE A 62 10.962 6.707 8.013 1.00 0.00 O ATOM 884 CB PHE A 62 11.704 9.732 6.044 1.00 0.00 C ATOM 885 CG PHE A 62 12.407 9.597 4.711 1.00 0.00 C ATOM 886 CD1 PHE A 62 13.716 10.021 4.557 1.00 0.00 C ATOM 887 CD2 PHE A 62 11.739 9.102 3.600 1.00 0.00 C ATOM 888 CE1 PHE A 62 14.350 9.953 3.331 1.00 0.00 C ATOM 889 CE2 PHE A 62 12.370 9.028 2.370 1.00 0.00 C ATOM 890 CZ PHE A 62 13.674 9.456 2.237 1.00 0.00 C ATOM 0 H PHE A 62 13.557 7.299 6.826 1.00 0.00 H new ATOM 0 HA PHE A 62 11.805 9.185 8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.630 9.729 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.953 10.710 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.251 10.412 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.716 8.771 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.372 10.288 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.841 8.635 1.514 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.165 9.402 1.277 1.00 0.00 H new ATOM 900 N TYR A 63 10.415 7.234 5.901 1.00 0.00 N ATOM 901 CA TYR A 63 9.396 6.186 5.824 1.00 0.00 C ATOM 902 C TYR A 63 8.939 5.959 4.376 1.00 0.00 C ATOM 903 O TYR A 63 9.037 6.861 3.545 1.00 0.00 O ATOM 904 CB TYR A 63 8.221 6.579 6.749 1.00 0.00 C ATOM 905 CG TYR A 63 7.562 5.403 7.464 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.494 5.604 8.339 1.00 0.00 C ATOM 907 CD2 TYR A 63 8.022 4.100 7.287 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.905 4.541 9.011 1.00 0.00 C ATOM 909 CE2 TYR A 63 7.436 3.035 7.954 1.00 0.00 C ATOM 910 CZ TYR A 63 6.381 3.264 8.813 1.00 0.00 C ATOM 911 OH TYR A 63 5.795 2.210 9.474 1.00 0.00 O ATOM 0 H TYR A 63 10.572 7.748 5.034 1.00 0.00 H new ATOM 0 HA TYR A 63 9.813 5.237 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.583 7.286 7.496 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.467 7.098 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.119 6.604 8.497 1.00 0.00 H new ATOM 0 HD2 TYR A 63 8.850 3.916 6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.079 4.715 9.685 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.804 2.031 7.802 1.00 0.00 H new ATOM 0 HH TYR A 63 5.871 1.399 8.929 1.00 0.00 H new ATOM 921 N LEU A 64 8.478 4.738 4.075 1.00 0.00 N ATOM 922 CA LEU A 64 7.952 4.402 2.745 1.00 0.00 C ATOM 923 C LEU A 64 6.433 4.345 2.794 1.00 0.00 C ATOM 924 O LEU A 64 5.855 3.599 3.586 1.00 0.00 O ATOM 925 CB LEU A 64 8.465 3.017 2.315 1.00 0.00 C ATOM 926 CG LEU A 64 9.794 2.973 1.554 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.382 1.571 1.603 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.585 3.395 0.106 1.00 0.00 C ATOM 0 H LEU A 64 8.459 3.963 4.738 1.00 0.00 H new ATOM 0 HA LEU A 64 8.282 5.164 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.566 2.401 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.702 2.552 1.691 1.00 0.00 H new ATOM 0 HG LEU A 64 10.489 3.666 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.326 1.553 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.556 1.285 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.686 0.868 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.537 3.360 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.878 2.717 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.191 4.411 0.076 1.00 0.00 H new ATOM 940 N LEU A 65 5.799 5.140 1.948 1.00 0.00 N ATOM 941 CA LEU A 65 4.347 5.157 1.827 1.00 0.00 C ATOM 942 C LEU A 65 3.937 5.504 0.393 1.00 0.00 C ATOM 943 O LEU A 65 4.636 6.244 -0.290 1.00 0.00 O ATOM 944 CB LEU A 65 3.776 6.195 2.801 1.00 0.00 C ATOM 945 CG LEU A 65 2.283 6.506 2.667 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.439 5.274 2.941 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.893 7.634 3.609 1.00 0.00 C ATOM 0 H LEU A 65 6.275 5.793 1.325 1.00 0.00 H new ATOM 0 HA LEU A 65 3.953 4.170 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.963 5.849 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.331 7.124 2.674 1.00 0.00 H new ATOM 0 HG LEU A 65 2.095 6.821 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.383 5.526 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.696 4.491 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.631 4.920 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.829 7.845 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.104 7.339 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.466 8.528 3.363 1.00 0.00 H new ATOM 959 N TYR A 66 2.818 4.945 -0.052 1.00 0.00 N ATOM 960 CA TYR A 66 2.252 5.233 -1.374 1.00 0.00 C ATOM 961 C TYR A 66 0.778 5.616 -1.193 1.00 0.00 C ATOM 962 O TYR A 66 0.189 5.286 -0.162 1.00 0.00 O ATOM 963 CB TYR A 66 2.386 3.995 -2.288 1.00 0.00 C ATOM 964 CG TYR A 66 3.824 3.671 -2.679 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.752 3.220 -1.741 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.256 3.827 -3.991 1.00 0.00 C ATOM 967 CE1 TYR A 66 6.059 2.937 -2.103 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.560 3.543 -4.358 1.00 0.00 C ATOM 969 CZ TYR A 66 6.454 3.100 -3.412 1.00 0.00 C ATOM 970 OH TYR A 66 7.750 2.819 -3.775 1.00 0.00 O ATOM 0 H TYR A 66 2.272 4.277 0.492 1.00 0.00 H new ATOM 0 HA TYR A 66 2.789 6.056 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.954 3.132 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.801 4.158 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.446 3.089 -0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.560 4.177 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.764 2.590 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.874 3.669 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 66 7.865 2.985 -4.734 1.00 0.00 H new ATOM 980 N TYR A 67 0.167 6.300 -2.166 1.00 0.00 N ATOM 981 CA TYR A 67 -1.215 6.763 -1.986 1.00 0.00 C ATOM 982 C TYR A 67 -2.078 6.560 -3.240 1.00 0.00 C ATOM 983 O TYR A 67 -1.641 6.838 -4.360 1.00 0.00 O ATOM 984 CB TYR A 67 -1.258 8.234 -1.520 1.00 0.00 C ATOM 985 CG TYR A 67 -0.365 9.199 -2.295 1.00 0.00 C ATOM 986 CD1 TYR A 67 -0.805 9.811 -3.463 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.915 9.505 -1.843 1.00 0.00 C ATOM 988 CE1 TYR A 67 0.004 10.692 -4.159 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.727 10.387 -2.533 1.00 0.00 C ATOM 990 CZ TYR A 67 1.267 10.975 -3.688 1.00 0.00 C ATOM 991 OH TYR A 67 2.078 11.845 -4.377 1.00 0.00 O ATOM 0 H TYR A 67 0.591 6.541 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.647 6.141 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.287 8.587 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.975 8.271 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.796 9.595 -3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.281 9.045 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.353 11.155 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.717 10.613 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 67 2.934 11.935 -3.909 1.00 0.00 H new ATOM 1001 N THR A 68 -3.309 6.064 -3.038 1.00 0.00 N ATOM 1002 CA THR A 68 -4.260 5.836 -4.131 1.00 0.00 C ATOM 1003 C THR A 68 -5.686 6.216 -3.691 1.00 0.00 C ATOM 1004 O THR A 68 -6.051 6.057 -2.519 1.00 0.00 O ATOM 1005 CB THR A 68 -4.239 4.354 -4.611 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.712 4.269 -5.957 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.110 3.457 -3.750 1.00 0.00 C ATOM 0 H THR A 68 -3.669 5.812 -2.117 1.00 0.00 H new ATOM 0 HA THR A 68 -3.955 6.469 -4.964 1.00 0.00 H new ATOM 0 HB THR A 68 -3.206 4.015 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.620 5.142 -6.392 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.062 2.435 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.753 3.483 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.141 3.808 -3.786 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.451 6.776 -4.629 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.875 7.080 -4.433 1.00 0.00 C ATOM 1017 C GLU A 69 -8.676 5.808 -4.134 1.00 0.00 C ATOM 1018 O GLU A 69 -8.619 4.851 -4.909 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.429 7.702 -5.724 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.698 8.522 -5.531 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.417 9.928 -5.048 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -8.820 10.716 -5.816 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.820 10.269 -3.920 1.00 0.00 O ATOM 0 H GLU A 69 -6.101 7.034 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.968 7.764 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.662 8.339 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.631 6.905 -6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.243 8.568 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.346 8.018 -4.813 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.432 5.779 -3.033 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.282 4.622 -2.757 1.00 0.00 C ATOM 1032 C PHE A 70 -11.731 5.021 -2.533 1.00 0.00 C ATOM 1033 O PHE A 70 -12.023 6.159 -2.183 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.758 3.819 -1.551 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.022 4.387 -0.169 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.971 4.604 0.700 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.305 4.667 0.273 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.191 5.088 1.978 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.528 5.159 1.541 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.473 5.366 2.396 1.00 0.00 C ATOM 0 H PHE A 70 -9.473 6.523 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.244 3.986 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.195 2.821 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.681 3.701 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.962 4.393 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.143 4.497 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.358 5.247 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.534 5.382 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.648 5.745 3.392 1.00 0.00 H new ATOM 1050 N THR A 71 -12.635 4.086 -2.785 1.00 0.00 N ATOM 1051 CA THR A 71 -14.027 4.223 -2.362 1.00 0.00 C ATOM 1052 C THR A 71 -14.572 2.880 -1.846 1.00 0.00 C ATOM 1053 O THR A 71 -14.724 1.938 -2.624 1.00 0.00 O ATOM 1054 CB THR A 71 -14.884 4.739 -3.541 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.307 5.957 -4.037 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.320 4.998 -3.114 1.00 0.00 C ATOM 0 H THR A 71 -12.431 3.219 -3.282 1.00 0.00 H new ATOM 0 HA THR A 71 -14.077 4.944 -1.546 1.00 0.00 H new ATOM 0 HB THR A 71 -14.897 3.976 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.843 6.291 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.894 5.360 -3.967 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.762 4.073 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.335 5.748 -2.323 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.841 2.748 -0.522 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.302 1.481 0.048 1.00 0.00 C ATOM 1066 C PRO A 72 -16.750 1.168 -0.270 1.00 0.00 C ATOM 1067 O PRO A 72 -17.618 2.039 -0.283 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.126 1.630 1.562 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.757 3.064 1.824 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.725 3.802 0.505 1.00 0.00 C ATOM 0 HA PRO A 72 -14.729 0.657 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.046 1.367 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.349 0.959 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.480 3.524 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.785 3.121 2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.545 4.517 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.799 4.366 0.390 1.00 0.00 H new ATOM 1078 N THR A 73 -16.969 -0.102 -0.525 1.00 0.00 N ATOM 1079 CA THR A 73 -18.283 -0.654 -0.790 1.00 0.00 C ATOM 1080 C THR A 73 -18.463 -1.880 0.096 1.00 0.00 C ATOM 1081 O THR A 73 -17.503 -2.326 0.715 1.00 0.00 O ATOM 1082 CB THR A 73 -18.394 -1.081 -2.268 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.501 -2.177 -2.496 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.038 0.071 -3.195 1.00 0.00 C ATOM 0 H THR A 73 -16.223 -0.797 -0.555 1.00 0.00 H new ATOM 0 HA THR A 73 -19.048 0.094 -0.583 1.00 0.00 H new ATOM 0 HB THR A 73 -19.422 -1.378 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.928 -1.978 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.124 -0.256 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.719 0.903 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.015 0.392 -3.000 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.664 -2.417 0.186 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.871 -3.703 0.840 1.00 0.00 C ATOM 1094 C GLU A 74 -19.101 -4.845 0.128 1.00 0.00 C ATOM 1095 O GLU A 74 -19.000 -5.954 0.649 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.385 -3.988 0.911 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.733 -5.410 1.312 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.462 -5.693 2.776 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.650 -6.595 3.075 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.058 -5.008 3.636 1.00 0.00 O ATOM 0 H GLU A 74 -20.512 -1.987 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.468 -3.657 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.840 -3.300 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.829 -3.778 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.786 -5.594 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.158 -6.106 0.700 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.518 -4.571 -1.039 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.912 -5.633 -1.842 1.00 0.00 C ATOM 1109 C LYS A 75 -16.373 -5.577 -1.974 1.00 0.00 C ATOM 1110 O LYS A 75 -15.741 -6.632 -2.021 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.533 -5.664 -3.246 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.013 -6.067 -3.305 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.235 -7.582 -3.208 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.844 -8.170 -1.856 1.00 0.00 C ATOM 1115 NZ LYS A 75 -18.417 -8.592 -1.815 1.00 0.00 N ATOM 0 H LYS A 75 -18.453 -3.638 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.130 -6.546 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.425 -4.676 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.961 -6.357 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.549 -5.576 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.444 -5.703 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.286 -7.800 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.659 -8.076 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.025 -7.431 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.481 -9.027 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.994 -8.297 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.358 -9.627 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.901 -8.148 -2.601 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.759 -4.392 -2.047 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.361 -4.309 -2.463 1.00 0.00 C ATOM 1131 C ASP A 76 -13.379 -4.245 -1.267 1.00 0.00 C ATOM 1132 O ASP A 76 -13.471 -3.364 -0.412 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.132 -3.092 -3.373 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.998 -3.078 -4.622 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -16.121 -2.538 -4.582 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.535 -3.581 -5.662 1.00 0.00 O ATOM 0 H ASP A 76 -16.198 -3.498 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.155 -5.227 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.323 -2.184 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.084 -3.067 -3.671 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.407 -5.151 -1.274 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.354 -5.262 -0.247 1.00 0.00 C ATOM 1143 C GLU A 77 -10.111 -4.500 -0.731 1.00 0.00 C ATOM 1144 O GLU A 77 -9.899 -4.376 -1.940 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.022 -6.748 -0.062 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.791 -7.048 0.774 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.344 -8.488 0.639 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.536 -8.778 -0.270 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -9.795 -9.335 1.438 1.00 0.00 O ATOM 0 H GLU A 77 -12.319 -5.852 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.686 -4.839 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.880 -7.238 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.888 -7.197 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.979 -6.387 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.004 -6.832 1.821 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.304 -3.975 0.188 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.082 -3.258 -0.193 1.00 0.00 C ATOM 1158 C TYR A 78 -6.840 -3.886 0.448 1.00 0.00 C ATOM 1159 O TYR A 78 -6.831 -4.182 1.643 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.195 -1.771 0.181 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.234 -1.020 -0.623 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.858 -0.185 -1.666 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.589 -1.153 -0.343 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.804 0.497 -2.408 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.538 -0.471 -1.084 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.139 0.348 -2.111 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.082 1.017 -2.854 1.00 0.00 O ATOM 0 H TYR A 78 -9.469 -4.030 1.193 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.970 -3.339 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.439 -1.689 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.225 -1.295 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.811 -0.066 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.905 -1.797 0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.497 1.143 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.588 -0.582 -0.855 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.958 0.933 -2.423 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.797 -4.091 -0.365 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.565 -4.742 0.079 1.00 0.00 C ATOM 1179 C ALA A 79 -3.325 -3.996 -0.425 1.00 0.00 C ATOM 1180 O ALA A 79 -3.418 -3.187 -1.341 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.540 -6.180 -0.421 1.00 0.00 C ATOM 0 H ALA A 79 -5.786 -3.810 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.546 -4.728 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.622 -6.664 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.399 -6.719 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.582 -6.187 -1.510 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.169 -4.254 0.187 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.906 -3.716 -0.315 1.00 0.00 C ATOM 1189 C CYS A 80 0.122 -4.844 -0.496 1.00 0.00 C ATOM 1190 O CYS A 80 0.353 -5.634 0.418 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.384 -2.622 0.622 1.00 0.00 C ATOM 1192 SG CYS A 80 1.276 -2.000 0.212 1.00 0.00 S ATOM 0 H CYS A 80 -2.082 -4.828 1.025 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.076 -3.263 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.084 -1.787 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.371 -3.010 1.640 1.00 0.00 H new ATOM 1197 N ARG A 81 0.684 -4.936 -1.702 1.00 0.00 N ATOM 1198 CA ARG A 81 1.604 -6.020 -2.089 1.00 0.00 C ATOM 1199 C ARG A 81 3.056 -5.536 -2.068 1.00 0.00 C ATOM 1200 O ARG A 81 3.358 -4.506 -2.662 1.00 0.00 O ATOM 1201 CB ARG A 81 1.248 -6.466 -3.510 1.00 0.00 C ATOM 1202 CG ARG A 81 1.821 -7.816 -3.961 1.00 0.00 C ATOM 1203 CD ARG A 81 1.178 -8.254 -5.282 1.00 0.00 C ATOM 1204 NE ARG A 81 1.376 -7.229 -6.313 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.693 -7.154 -7.454 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.211 -8.077 -7.759 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.930 -6.157 -8.301 1.00 0.00 N ATOM 0 H ARG A 81 0.516 -4.259 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 81 1.505 -6.844 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.162 -6.510 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.590 -5.699 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.901 -7.737 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.641 -8.569 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.614 -9.198 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.112 -8.429 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 81 2.090 -6.521 -6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.387 -8.850 -7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.730 -8.013 -8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.633 -5.453 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.409 -6.096 -9.176 1.00 0.00 H new ATOM 1221 N VAL A 82 3.950 -6.265 -1.399 1.00 0.00 N ATOM 1222 CA VAL A 82 5.364 -5.876 -1.385 1.00 0.00 C ATOM 1223 C VAL A 82 6.292 -7.068 -1.599 1.00 0.00 C ATOM 1224 O VAL A 82 6.039 -8.174 -1.117 1.00 0.00 O ATOM 1225 CB VAL A 82 5.764 -5.134 -0.084 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.060 -6.108 1.045 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.957 -4.227 -0.337 1.00 0.00 C ATOM 0 H VAL A 82 3.730 -7.109 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 82 5.483 -5.187 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 82 4.917 -4.521 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.337 -5.553 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.173 -6.708 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.882 -6.762 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.226 -3.713 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.802 -4.824 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.700 -3.492 -1.100 1.00 0.00 H new ATOM 1237 N ASN A 83 7.359 -6.813 -2.341 1.00 0.00 N ATOM 1238 CA ASN A 83 8.374 -7.820 -2.616 1.00 0.00 C ATOM 1239 C ASN A 83 9.769 -7.224 -2.535 1.00 0.00 C ATOM 1240 O ASN A 83 9.992 -6.071 -2.911 1.00 0.00 O ATOM 1241 CB ASN A 83 8.162 -8.437 -4.003 1.00 0.00 C ATOM 1242 CG ASN A 83 8.997 -9.689 -4.208 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.244 -10.444 -3.268 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.449 -9.914 -5.433 1.00 0.00 N ATOM 0 H ASN A 83 7.546 -5.906 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 83 8.279 -8.598 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.108 -8.680 -4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.417 -7.703 -4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.023 -10.736 -5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.223 -9.265 -6.187 1.00 0.00 H new ATOM 1251 N HIS A 84 10.689 -8.017 -2.016 1.00 0.00 N ATOM 1252 CA HIS A 84 12.098 -7.666 -1.978 1.00 0.00 C ATOM 1253 C HIS A 84 12.891 -8.873 -2.468 1.00 0.00 C ATOM 1254 O HIS A 84 12.366 -9.984 -2.493 1.00 0.00 O ATOM 1255 CB HIS A 84 12.521 -7.291 -0.547 1.00 0.00 C ATOM 1256 CG HIS A 84 13.894 -6.683 -0.447 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.025 -7.464 -0.409 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.261 -5.380 -0.391 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.044 -6.626 -0.336 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.631 -5.351 -0.324 1.00 0.00 N ATOM 0 H HIS A 84 10.479 -8.927 -1.607 1.00 0.00 H new ATOM 0 HA HIS A 84 12.290 -6.803 -2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.795 -6.589 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.486 -8.185 0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.600 -4.526 -0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.079 -6.930 -0.292 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.221 -4.520 -0.275 1.00 0.00 H new ATOM 1268 N VAL A 85 14.149 -8.659 -2.840 1.00 0.00 N ATOM 1269 CA VAL A 85 14.990 -9.735 -3.376 1.00 0.00 C ATOM 1270 C VAL A 85 15.332 -10.767 -2.294 1.00 0.00 C ATOM 1271 O VAL A 85 15.992 -11.770 -2.565 1.00 0.00 O ATOM 1272 CB VAL A 85 16.308 -9.197 -3.989 1.00 0.00 C ATOM 1273 CG1 VAL A 85 16.984 -10.243 -4.876 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.063 -7.919 -4.770 1.00 0.00 C ATOM 0 H VAL A 85 14.613 -7.752 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 85 14.406 -10.211 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 85 16.982 -8.973 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.905 -9.830 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.216 -11.128 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.313 -10.518 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.004 -7.563 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.357 -8.115 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.652 -7.159 -4.105 1.00 0.00 H new ATOM 1284 N THR A 86 14.899 -10.517 -1.067 1.00 0.00 N ATOM 1285 CA THR A 86 15.112 -11.473 0.010 1.00 0.00 C ATOM 1286 C THR A 86 13.968 -12.493 0.028 1.00 0.00 C ATOM 1287 O THR A 86 14.208 -13.704 0.065 1.00 0.00 O ATOM 1288 CB THR A 86 15.262 -10.769 1.389 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.374 -11.728 2.446 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.093 -9.832 1.679 1.00 0.00 C ATOM 0 H THR A 86 14.403 -9.669 -0.794 1.00 0.00 H new ATOM 0 HA THR A 86 16.050 -11.996 -0.177 1.00 0.00 H new ATOM 0 HB THR A 86 16.176 -10.177 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.469 -11.261 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.237 -9.361 2.651 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.042 -9.064 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.163 -10.401 1.686 1.00 0.00 H new ATOM 1298 N LEU A 87 12.723 -12.005 0.015 1.00 0.00 N ATOM 1299 CA LEU A 87 11.559 -12.878 -0.121 1.00 0.00 C ATOM 1300 C LEU A 87 11.590 -13.657 -1.436 1.00 0.00 C ATOM 1301 O LEU A 87 12.318 -13.320 -2.369 1.00 0.00 O ATOM 1302 CB LEU A 87 10.263 -12.065 -0.064 1.00 0.00 C ATOM 1303 CG LEU A 87 10.131 -11.098 1.107 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.844 -10.312 0.973 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.172 -11.845 2.432 1.00 0.00 C ATOM 0 H LEU A 87 12.499 -11.013 0.097 1.00 0.00 H new ATOM 0 HA LEU A 87 11.593 -13.583 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.173 -11.497 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.423 -12.759 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 87 10.973 -10.405 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.751 -9.621 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.856 -9.750 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.997 -10.998 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.076 -11.135 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.350 -12.560 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.119 -12.377 2.521 1.00 0.00 H new ATOM 1317 N SER A 88 10.781 -14.700 -1.492 1.00 0.00 N ATOM 1318 CA SER A 88 10.643 -15.529 -2.680 1.00 0.00 C ATOM 1319 C SER A 88 9.202 -15.451 -3.186 1.00 0.00 C ATOM 1320 O SER A 88 8.803 -16.170 -4.102 1.00 0.00 O ATOM 1321 CB SER A 88 10.999 -16.968 -2.326 1.00 0.00 C ATOM 1322 OG SER A 88 12.265 -17.033 -1.684 1.00 0.00 O ATOM 0 H SER A 88 10.197 -14.999 -0.711 1.00 0.00 H new ATOM 0 HA SER A 88 11.313 -15.176 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.233 -17.386 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.013 -17.576 -3.230 1.00 0.00 H new ATOM 0 HG SER A 88 12.473 -17.965 -1.464 1.00 0.00 H new ATOM 1328 N GLN A 89 8.435 -14.551 -2.571 1.00 0.00 N ATOM 1329 CA GLN A 89 7.021 -14.383 -2.844 1.00 0.00 C ATOM 1330 C GLN A 89 6.539 -13.105 -2.150 1.00 0.00 C ATOM 1331 O GLN A 89 6.719 -12.960 -0.940 1.00 0.00 O ATOM 1332 CB GLN A 89 6.223 -15.602 -2.341 1.00 0.00 C ATOM 1333 CG GLN A 89 6.388 -15.897 -0.850 1.00 0.00 C ATOM 1334 CD GLN A 89 5.500 -17.028 -0.380 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.889 -18.193 -0.407 1.00 0.00 O ATOM 1336 NE2 GLN A 89 4.297 -16.690 0.053 1.00 0.00 N ATOM 0 H GLN A 89 8.791 -13.912 -1.860 1.00 0.00 H new ATOM 0 HA GLN A 89 6.862 -14.302 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.166 -15.440 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.530 -16.481 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.429 -16.148 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.159 -14.998 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.014 -15.710 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.652 -17.409 0.381 1.00 0.00 H new ATOM 1345 N PRO A 90 5.976 -12.128 -2.887 1.00 0.00 N ATOM 1346 CA PRO A 90 5.477 -10.902 -2.258 1.00 0.00 C ATOM 1347 C PRO A 90 4.299 -11.152 -1.339 1.00 0.00 C ATOM 1348 O PRO A 90 3.547 -12.113 -1.505 1.00 0.00 O ATOM 1349 CB PRO A 90 5.054 -10.007 -3.412 1.00 0.00 C ATOM 1350 CG PRO A 90 4.886 -10.920 -4.588 1.00 0.00 C ATOM 1351 CD PRO A 90 5.814 -12.109 -4.357 1.00 0.00 C ATOM 0 HA PRO A 90 6.249 -10.456 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.124 -9.486 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.806 -9.244 -3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.851 -11.249 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.139 -10.407 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.379 -13.038 -4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.769 -11.980 -4.866 1.00 0.00 H new ATOM 1359 N LYS A 91 4.142 -10.269 -0.375 1.00 0.00 N ATOM 1360 CA LYS A 91 3.085 -10.409 0.609 1.00 0.00 C ATOM 1361 C LYS A 91 1.941 -9.459 0.312 1.00 0.00 C ATOM 1362 O LYS A 91 2.146 -8.377 -0.239 1.00 0.00 O ATOM 1363 CB LYS A 91 3.602 -10.139 2.026 1.00 0.00 C ATOM 1364 CG LYS A 91 4.788 -11.007 2.447 1.00 0.00 C ATOM 1365 CD LYS A 91 4.485 -12.496 2.352 1.00 0.00 C ATOM 1366 CE LYS A 91 4.776 -13.202 3.670 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.055 -12.573 4.811 1.00 0.00 N ATOM 0 H LYS A 91 4.732 -9.446 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 91 2.729 -11.437 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.892 -9.091 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.786 -10.294 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.646 -10.774 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.068 -10.761 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.439 -12.641 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.084 -12.942 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.486 -14.250 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.849 -13.181 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.817 -13.301 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.662 -11.852 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.181 -12.127 4.466 1.00 0.00 H new ATOM 1381 N ILE A 92 0.745 -9.883 0.676 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.423 -9.020 0.620 1.00 0.00 C ATOM 1383 C ILE A 92 -0.894 -8.702 2.029 1.00 0.00 C ATOM 1384 O ILE A 92 -0.978 -9.582 2.886 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.594 -9.612 -0.236 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.630 -8.961 -1.624 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.943 -9.432 0.442 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.357 -7.484 -1.590 1.00 0.00 C ATOM 0 H ILE A 92 0.555 -10.826 1.016 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.118 -8.103 0.115 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.405 -10.681 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.894 -9.446 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.608 -9.133 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.726 -9.857 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.936 -9.940 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.136 -8.370 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.397 -7.083 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.108 -6.989 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.368 -7.306 -1.168 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.155 -7.432 2.269 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.727 -6.988 3.523 1.00 0.00 C ATOM 1402 C VAL A 93 -3.067 -6.347 3.243 1.00 0.00 C ATOM 1403 O VAL A 93 -3.154 -5.396 2.472 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.818 -5.977 4.256 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.517 -4.762 3.397 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.451 -5.547 5.570 1.00 0.00 C ATOM 0 H VAL A 93 -0.977 -6.681 1.602 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.836 -7.857 4.172 1.00 0.00 H new ATOM 0 HB VAL A 93 0.127 -6.479 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.125 -4.076 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.011 -5.078 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.449 -4.259 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.797 -4.835 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.415 -5.078 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.595 -6.420 6.207 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.116 -6.866 3.831 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.429 -6.346 3.550 1.00 0.00 C ATOM 1418 C LYS A 94 -5.941 -5.541 4.729 1.00 0.00 C ATOM 1419 O LYS A 94 -5.697 -5.881 5.890 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.388 -7.472 3.209 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.851 -8.415 2.157 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.541 -9.765 2.239 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.154 -10.543 3.491 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.712 -11.919 3.467 1.00 0.00 N ATOM 0 H LYS A 94 -4.088 -7.637 4.498 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.363 -5.685 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.611 -8.037 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.328 -7.046 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.000 -7.985 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.777 -8.542 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.621 -9.619 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.288 -10.353 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.068 -10.590 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.516 -10.017 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.431 -12.423 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.750 -11.872 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.347 -12.427 2.637 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.641 -4.472 4.419 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.137 -3.561 5.438 1.00 0.00 C ATOM 1440 C TRP A 95 -8.377 -4.150 6.098 1.00 0.00 C ATOM 1441 O TRP A 95 -9.400 -4.383 5.446 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.416 -2.179 4.813 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.952 -1.138 5.766 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.428 -0.753 6.976 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.113 -0.314 5.558 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.203 0.226 7.536 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.243 0.515 6.693 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.060 -0.196 4.525 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.279 1.432 6.832 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.082 0.721 4.660 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.192 1.522 5.803 1.00 0.00 C ATOM 0 H TRP A 95 -6.883 -4.207 3.464 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.383 -3.426 6.214 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.492 -1.804 4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.129 -2.304 3.998 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.534 -1.164 7.421 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.033 0.670 8.438 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.988 -0.813 3.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.365 2.051 7.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.811 0.823 3.869 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.009 2.225 5.880 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.259 -4.412 7.397 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.304 -5.072 8.171 1.00 0.00 C ATOM 1464 C ASP A 96 -10.569 -4.214 8.224 1.00 0.00 C ATOM 1465 O ASP A 96 -10.622 -3.209 8.932 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.795 -5.394 9.594 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.236 -4.189 10.328 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.851 -3.757 11.329 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.165 -3.678 9.921 1.00 0.00 O ATOM 0 H ASP A 96 -7.432 -4.171 7.944 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.559 -6.009 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.614 -5.816 10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.022 -6.160 9.529 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.588 -4.618 7.453 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.865 -3.903 7.423 1.00 0.00 C ATOM 1476 C ARG A 97 -13.848 -4.609 6.482 1.00 0.00 C ATOM 1477 O ARG A 97 -15.037 -4.298 6.463 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.632 -2.439 6.987 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.611 -2.225 5.465 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.005 -2.028 4.875 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.987 -2.064 3.421 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.086 -2.053 2.682 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.259 -1.766 3.233 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.015 -2.291 1.387 1.00 0.00 N ATOM 0 H ARG A 97 -11.550 -5.435 6.844 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.301 -3.901 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.415 -1.815 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.685 -2.095 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.997 -1.354 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.138 -3.084 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.671 -2.805 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.410 -1.073 5.210 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.084 -2.099 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.316 -1.553 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.103 -1.759 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.113 -2.484 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.863 -2.282 0.820 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.344 -5.582 5.731 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.122 -6.239 4.668 1.00 0.00 C ATOM 1500 C ASP A 98 -13.438 -7.528 4.189 1.00 0.00 C ATOM 1501 O ASP A 98 -13.953 -8.231 3.321 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.294 -5.289 3.486 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.280 -5.802 2.450 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.367 -6.282 2.842 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.977 -5.717 1.244 1.00 0.00 O ATOM 0 H ASP A 98 -12.395 -5.940 5.834 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.097 -6.499 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.632 -4.320 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.326 -5.130 3.011 1.00 0.00 H new ATOM 1510 N MET A 99 -12.277 -7.833 4.763 1.00 0.00 N ATOM 1511 CA MET A 99 -11.528 -9.041 4.402 1.00 0.00 C ATOM 1512 C MET A 99 -12.346 -10.294 4.699 1.00 0.00 C ATOM 1513 CB MET A 99 -10.167 -9.120 5.128 1.00 0.00 C ATOM 1514 CG MET A 99 -9.988 -8.149 6.314 1.00 0.00 C ATOM 1515 SD MET A 99 -11.334 -8.172 7.512 1.00 0.00 S ATOM 1516 CE MET A 99 -10.971 -9.689 8.394 1.00 0.00 C ATOM 0 H MET A 99 -11.831 -7.262 5.481 1.00 0.00 H new ATOM 0 HA MET A 99 -11.333 -8.984 3.331 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.027 -10.138 5.491 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.376 -8.929 4.402 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.058 -8.391 6.828 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.883 -7.136 5.925 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.718 -9.845 9.172 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.991 -10.528 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.983 -9.618 8.849 1.00 0.00 H new TER 1525 MET A 99