USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 679 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 16 GLN :FLIP amide:sc= 0.387 F(o=-4.9!,f=1.3) USER MOD Set 1.2: A 22 SER OG : rot -61:sc= 0.865 USER MOD Set 2.1: A 7 ASN : amide:sc= -0.402 K(o=0.081,f=-9.3!) USER MOD Set 2.2: A 9 SER OG : rot 149:sc= 0.483! USER MOD Single : A 1 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 1 GLN N :NH3+ -172:sc= -0.264 (180deg=-0.367) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.47! C(o=-7.1!,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.469 K(o=-0.47,f=-1.2) USER MOD Single : A 26 ASN :FLIP amide:sc=-0.00108 F(o=-1.3,f=-0.0011) USER MOD Single : A 27 SER OG : rot -170:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0209) USER MOD Single : A 31 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.0605 (180deg=-0.537) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.93!,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.0125 K(o=0.013,f=-1.1) USER MOD Single : A 49 THR OG1 : rot -94:sc= 0.324! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -2.18 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= -3.69 (180deg=-3.83) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.187) USER MOD Single : A 66 ASN : amide:sc= -2.11! C(o=-2.1!,f=-1.8!) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.492 (180deg=-1.89!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 32:sc= 1 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= -1.8! (180deg=-2.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -28:sc= 0.439 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.169 3.995 2.784 1.00 1.00 N ATOM 2 CA GLN A 1 3.829 4.271 2.263 1.00 1.00 C ATOM 3 C GLN A 1 2.964 3.018 2.335 1.00 1.00 C ATOM 4 O GLN A 1 1.796 3.037 1.946 1.00 1.00 O ATOM 5 CB GLN A 1 3.922 4.737 0.806 1.00 1.00 C ATOM 6 CG GLN A 1 4.464 6.167 0.743 1.00 1.00 C ATOM 7 CD GLN A 1 3.390 7.155 1.191 1.00 1.00 C ATOM 8 OE1 GLN A 1 2.232 6.777 1.360 1.00 1.00 O ATOM 9 NE2 GLN A 1 3.704 8.412 1.366 1.00 1.00 N ATOM 0 H1 GLN A 1 5.704 4.884 2.856 1.00 1.00 H new ATOM 0 H2 GLN A 1 5.093 3.560 3.726 1.00 1.00 H new ATOM 0 H3 GLN A 1 5.664 3.344 2.141 1.00 1.00 H new ATOM 0 HA GLN A 1 3.376 5.055 2.870 1.00 1.00 H new ATOM 0 HB2 GLN A 1 4.573 4.068 0.243 1.00 1.00 H new ATOM 0 HB3 GLN A 1 2.938 4.692 0.338 1.00 1.00 H new ATOM 0 HG2 GLN A 1 5.343 6.259 1.381 1.00 1.00 H new ATOM 0 HG3 GLN A 1 4.782 6.399 -0.273 1.00 1.00 H new ATOM 0 HE21 GLN A 1 4.665 8.722 1.225 1.00 1.00 H new ATOM 0 HE22 GLN A 1 2.987 9.083 1.644 1.00 1.00 H new ATOM 18 N CYS A 2 3.550 1.924 2.823 1.00 1.00 N ATOM 19 CA CYS A 2 2.833 0.651 2.933 1.00 1.00 C ATOM 20 C CYS A 2 2.782 0.177 4.386 1.00 1.00 C ATOM 21 O CYS A 2 3.380 0.789 5.271 1.00 1.00 O ATOM 22 CB CYS A 2 3.525 -0.408 2.070 1.00 1.00 C ATOM 23 SG CYS A 2 4.052 0.320 0.496 1.00 1.00 S ATOM 0 H CYS A 2 4.516 1.893 3.148 1.00 1.00 H new ATOM 0 HA CYS A 2 1.812 0.800 2.583 1.00 1.00 H new ATOM 0 HB2 CYS A 2 4.387 -0.813 2.599 1.00 1.00 H new ATOM 0 HB3 CYS A 2 2.845 -1.240 1.886 1.00 1.00 H new ATOM 28 N TYR A 3 2.067 -0.927 4.618 1.00 1.00 N ATOM 29 CA TYR A 3 1.960 -1.473 5.970 1.00 1.00 C ATOM 30 C TYR A 3 1.541 -2.943 5.971 1.00 1.00 C ATOM 31 O TYR A 3 0.638 -3.352 5.241 1.00 1.00 O ATOM 32 CB TYR A 3 0.974 -0.639 6.802 1.00 1.00 C ATOM 33 CG TYR A 3 -0.458 -1.063 6.539 1.00 1.00 C ATOM 34 CD1 TYR A 3 -1.069 -0.743 5.321 1.00 1.00 C ATOM 35 CD2 TYR A 3 -1.178 -1.754 7.522 1.00 1.00 C ATOM 36 CE1 TYR A 3 -2.398 -1.117 5.086 1.00 1.00 C ATOM 37 CE2 TYR A 3 -2.505 -2.122 7.289 1.00 1.00 C ATOM 38 CZ TYR A 3 -3.117 -1.805 6.072 1.00 1.00 C ATOM 39 OH TYR A 3 -4.427 -2.176 5.844 1.00 1.00 O ATOM 0 H TYR A 3 1.563 -1.450 3.902 1.00 1.00 H new ATOM 0 HA TYR A 3 2.951 -1.420 6.420 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.201 -0.753 7.862 1.00 1.00 H new ATOM 0 HB3 TYR A 3 1.094 0.417 6.562 1.00 1.00 H new ATOM 0 HD1 TYR A 3 -0.516 -0.208 4.563 1.00 1.00 H new ATOM 0 HD2 TYR A 3 -0.706 -2.003 8.461 1.00 1.00 H new ATOM 0 HE1 TYR A 3 -2.869 -0.875 4.145 1.00 1.00 H new ATOM 0 HE2 TYR A 3 -3.059 -2.652 8.049 1.00 1.00 H new ATOM 0 HH TYR A 3 -4.776 -2.645 6.630 1.00 1.00 H new ATOM 49 N PHE A 4 2.215 -3.723 6.809 1.00 1.00 N ATOM 50 CA PHE A 4 1.927 -5.146 6.926 1.00 1.00 C ATOM 51 C PHE A 4 0.700 -5.392 7.804 1.00 1.00 C ATOM 52 O PHE A 4 0.444 -4.657 8.759 1.00 1.00 O ATOM 53 CB PHE A 4 3.128 -5.872 7.539 1.00 1.00 C ATOM 54 CG PHE A 4 4.288 -5.854 6.573 1.00 1.00 C ATOM 55 CD1 PHE A 4 4.359 -6.802 5.546 1.00 1.00 C ATOM 56 CD2 PHE A 4 5.291 -4.885 6.703 1.00 1.00 C ATOM 57 CE1 PHE A 4 5.437 -6.787 4.653 1.00 1.00 C ATOM 58 CE2 PHE A 4 6.368 -4.869 5.808 1.00 1.00 C ATOM 59 CZ PHE A 4 6.439 -5.817 4.781 1.00 1.00 C ATOM 0 H PHE A 4 2.965 -3.393 7.417 1.00 1.00 H new ATOM 0 HA PHE A 4 1.726 -5.529 5.925 1.00 1.00 H new ATOM 0 HB2 PHE A 4 3.415 -5.392 8.475 1.00 1.00 H new ATOM 0 HB3 PHE A 4 2.859 -6.901 7.778 1.00 1.00 H new ATOM 0 HD1 PHE A 4 3.582 -7.545 5.442 1.00 1.00 H new ATOM 0 HD2 PHE A 4 5.234 -4.151 7.493 1.00 1.00 H new ATOM 0 HE1 PHE A 4 5.496 -7.524 3.865 1.00 1.00 H new ATOM 0 HE2 PHE A 4 7.144 -4.125 5.910 1.00 1.00 H new ATOM 0 HZ PHE A 4 7.266 -5.801 4.087 1.00 1.00 H new ATOM 69 N ILE A 5 -0.034 -6.457 7.484 1.00 1.00 N ATOM 70 CA ILE A 5 -1.224 -6.853 8.247 1.00 1.00 C ATOM 71 C ILE A 5 -1.039 -8.303 8.721 1.00 1.00 C ATOM 72 O ILE A 5 -0.645 -9.156 7.929 1.00 1.00 O ATOM 73 CB ILE A 5 -2.496 -6.779 7.369 1.00 1.00 C ATOM 74 CG1 ILE A 5 -2.420 -5.561 6.440 1.00 1.00 C ATOM 75 CG2 ILE A 5 -3.738 -6.669 8.264 1.00 1.00 C ATOM 76 CD1 ILE A 5 -3.600 -5.571 5.461 1.00 1.00 C ATOM 0 H ILE A 5 0.175 -7.068 6.694 1.00 1.00 H new ATOM 0 HA ILE A 5 -1.342 -6.174 9.092 1.00 1.00 H new ATOM 0 HB ILE A 5 -2.565 -7.684 6.766 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -2.433 -4.644 7.028 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -1.480 -5.572 5.889 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -4.631 -6.617 7.642 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -3.798 -7.543 8.913 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -3.668 -5.769 8.874 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -3.537 -4.702 4.806 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -3.568 -6.481 4.861 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -4.536 -5.537 6.019 1.00 1.00 H new ATOM 88 N PRO A 6 -1.308 -8.616 9.966 1.00 1.00 N ATOM 89 CA PRO A 6 -1.146 -10.011 10.467 1.00 1.00 C ATOM 90 C PRO A 6 -2.258 -10.925 9.954 1.00 1.00 C ATOM 91 O PRO A 6 -3.381 -10.895 10.458 1.00 1.00 O ATOM 92 CB PRO A 6 -1.210 -9.850 11.991 1.00 1.00 C ATOM 93 CG PRO A 6 -2.062 -8.641 12.210 1.00 1.00 C ATOM 94 CD PRO A 6 -1.783 -7.707 11.026 1.00 1.00 C ATOM 0 HA PRO A 6 -0.221 -10.477 10.128 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -1.644 -10.731 12.464 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -0.216 -9.716 12.417 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -3.117 -8.910 12.254 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -1.817 -8.157 13.155 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -2.681 -7.170 10.720 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -1.033 -6.957 11.276 1.00 1.00 H new ATOM 102 N ASN A 7 -1.942 -11.732 8.945 1.00 1.00 N ATOM 103 CA ASN A 7 -2.911 -12.637 8.363 1.00 1.00 C ATOM 104 C ASN A 7 -3.659 -13.405 9.447 1.00 1.00 C ATOM 105 O ASN A 7 -3.064 -13.857 10.425 1.00 1.00 O ATOM 106 CB ASN A 7 -2.169 -13.602 7.445 1.00 1.00 C ATOM 107 CG ASN A 7 -3.137 -14.567 6.787 1.00 1.00 C ATOM 108 OD1 ASN A 7 -4.315 -14.257 6.615 1.00 1.00 O ATOM 109 ND2 ASN A 7 -2.698 -15.729 6.401 1.00 1.00 N ATOM 0 H ASN A 7 -1.017 -11.773 8.517 1.00 1.00 H new ATOM 0 HA ASN A 7 -3.649 -12.069 7.796 1.00 1.00 H new ATOM 0 HB2 ASN A 7 -1.629 -13.043 6.681 1.00 1.00 H new ATOM 0 HB3 ASN A 7 -1.426 -14.158 8.017 1.00 1.00 H new ATOM 0 HD21 ASN A 7 -3.332 -16.390 5.952 1.00 1.00 H new ATOM 0 HD22 ASN A 7 -1.720 -15.979 6.547 1.00 1.00 H new ATOM 116 N GLN A 8 -4.971 -13.552 9.264 1.00 1.00 N ATOM 117 CA GLN A 8 -5.802 -14.273 10.226 1.00 1.00 C ATOM 118 C GLN A 8 -6.209 -15.623 9.649 1.00 1.00 C ATOM 119 O GLN A 8 -7.327 -16.090 9.869 1.00 1.00 O ATOM 120 CB GLN A 8 -7.061 -13.458 10.537 1.00 1.00 C ATOM 121 CG GLN A 8 -6.671 -12.070 11.055 1.00 1.00 C ATOM 122 CD GLN A 8 -5.847 -12.193 12.331 1.00 1.00 C ATOM 123 OE1 GLN A 8 -6.117 -13.056 13.167 1.00 1.00 O ATOM 124 NE2 GLN A 8 -4.861 -11.364 12.539 1.00 1.00 N ATOM 0 H GLN A 8 -5.479 -13.182 8.461 1.00 1.00 H new ATOM 0 HA GLN A 8 -5.231 -14.426 11.142 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -7.673 -13.362 9.640 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -7.665 -13.977 11.281 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -6.099 -11.538 10.295 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.568 -11.482 11.249 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -4.640 -10.650 11.845 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -4.312 -11.430 13.396 1.00 1.00 H new ATOM 133 N SER A 9 -5.300 -16.233 8.878 1.00 1.00 N ATOM 134 CA SER A 9 -5.576 -17.522 8.237 1.00 1.00 C ATOM 135 C SER A 9 -4.622 -18.606 8.717 1.00 1.00 C ATOM 136 O SER A 9 -3.462 -18.346 9.039 1.00 1.00 O ATOM 137 CB SER A 9 -5.427 -17.379 6.719 1.00 1.00 C ATOM 138 OG SER A 9 -4.098 -17.709 6.336 1.00 1.00 O ATOM 0 H SER A 9 -4.372 -15.856 8.684 1.00 1.00 H new ATOM 0 HA SER A 9 -6.593 -17.812 8.502 1.00 1.00 H new ATOM 0 HB2 SER A 9 -6.135 -18.033 6.211 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.661 -16.359 6.415 1.00 1.00 H new ATOM 0 HG SER A 9 -4.103 -18.089 5.433 1.00 1.00 H new ATOM 144 N LEU A 10 -5.133 -19.831 8.741 1.00 1.00 N ATOM 145 CA LEU A 10 -4.350 -20.988 9.154 1.00 1.00 C ATOM 146 C LEU A 10 -3.842 -21.731 7.922 1.00 1.00 C ATOM 147 O LEU A 10 -3.253 -22.805 8.034 1.00 1.00 O ATOM 148 CB LEU A 10 -5.214 -21.924 10.003 1.00 1.00 C ATOM 149 CG LEU A 10 -5.737 -21.179 11.239 1.00 1.00 C ATOM 150 CD1 LEU A 10 -6.673 -22.103 12.028 1.00 1.00 C ATOM 151 CD2 LEU A 10 -4.559 -20.749 12.136 1.00 1.00 C ATOM 0 H LEU A 10 -6.094 -20.049 8.477 1.00 1.00 H new ATOM 0 HA LEU A 10 -3.500 -20.652 9.747 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -6.051 -22.296 9.412 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -4.630 -22.791 10.311 1.00 1.00 H new ATOM 0 HG LEU A 10 -6.280 -20.290 10.919 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -7.047 -21.578 12.907 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -7.512 -22.396 11.397 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -6.127 -22.992 12.342 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -4.941 -20.221 13.010 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -4.006 -21.631 12.458 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -3.896 -20.090 11.575 1.00 1.00 H new ATOM 163 N LYS A 11 -4.090 -21.153 6.741 1.00 1.00 N ATOM 164 CA LYS A 11 -3.666 -21.776 5.483 1.00 1.00 C ATOM 165 C LYS A 11 -2.317 -21.199 5.016 1.00 1.00 C ATOM 166 O LYS A 11 -2.186 -19.983 4.884 1.00 1.00 O ATOM 167 CB LYS A 11 -4.721 -21.508 4.408 1.00 1.00 C ATOM 168 CG LYS A 11 -5.984 -22.331 4.706 1.00 1.00 C ATOM 169 CD LYS A 11 -7.181 -21.716 3.975 1.00 1.00 C ATOM 170 CE LYS A 11 -8.426 -22.573 4.210 1.00 1.00 C ATOM 171 NZ LYS A 11 -9.643 -21.777 3.884 1.00 1.00 N ATOM 0 H LYS A 11 -4.577 -20.264 6.631 1.00 1.00 H new ATOM 0 HA LYS A 11 -3.553 -22.848 5.646 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -4.965 -20.446 4.381 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -4.328 -21.770 3.426 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -5.841 -23.363 4.387 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -6.172 -22.352 5.779 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -7.354 -20.701 4.332 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -6.971 -21.648 2.908 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -8.387 -23.469 3.590 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -8.462 -22.905 5.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -10.491 -22.358 4.043 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -9.681 -20.935 4.494 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -9.608 -21.482 2.887 1.00 1.00 H new ATOM 185 N PRO A 12 -1.316 -22.024 4.756 1.00 1.00 N ATOM 186 CA PRO A 12 0.013 -21.529 4.289 1.00 1.00 C ATOM 187 C PRO A 12 0.007 -21.183 2.798 1.00 1.00 C ATOM 188 O PRO A 12 1.006 -20.711 2.259 1.00 1.00 O ATOM 189 CB PRO A 12 0.948 -22.707 4.576 1.00 1.00 C ATOM 190 CG PRO A 12 0.084 -23.918 4.422 1.00 1.00 C ATOM 191 CD PRO A 12 -1.323 -23.499 4.874 1.00 1.00 C ATOM 0 HA PRO A 12 0.312 -20.607 4.788 1.00 1.00 H new ATOM 0 HB2 PRO A 12 1.787 -22.727 3.880 1.00 1.00 H new ATOM 0 HB3 PRO A 12 1.368 -22.645 5.580 1.00 1.00 H new ATOM 0 HG2 PRO A 12 0.075 -24.261 3.387 1.00 1.00 H new ATOM 0 HG3 PRO A 12 0.458 -24.743 5.028 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -2.093 -23.946 4.245 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -1.524 -23.816 5.897 1.00 1.00 H new ATOM 199 N ASN A 13 -1.128 -21.427 2.140 1.00 1.00 N ATOM 200 CA ASN A 13 -1.268 -21.143 0.705 1.00 1.00 C ATOM 201 C ASN A 13 -2.329 -20.069 0.463 1.00 1.00 C ATOM 202 O ASN A 13 -2.579 -19.677 -0.678 1.00 1.00 O ATOM 203 CB ASN A 13 -1.644 -22.439 -0.040 1.00 1.00 C ATOM 204 CG ASN A 13 -3.137 -22.743 0.100 1.00 1.00 C ATOM 205 OD1 ASN A 13 -3.821 -22.196 1.069 1.00 1.00 O flip ATOM 206 ND2 ASN A 13 -3.695 -23.496 -0.698 1.00 1.00 N flip ATOM 0 H ASN A 13 -1.963 -21.820 2.574 1.00 1.00 H new ATOM 0 HA ASN A 13 -0.317 -20.769 0.327 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -1.387 -22.343 -1.095 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -1.062 -23.271 0.356 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -3.161 -23.923 -1.455 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -4.691 -23.693 -0.602 1.00 1.00 H new ATOM 213 N GLU A 14 -2.953 -19.597 1.540 1.00 1.00 N ATOM 214 CA GLU A 14 -3.993 -18.572 1.433 1.00 1.00 C ATOM 215 C GLU A 14 -4.011 -17.664 2.658 1.00 1.00 C ATOM 216 O GLU A 14 -3.811 -18.102 3.789 1.00 1.00 O ATOM 217 CB GLU A 14 -5.377 -19.223 1.271 1.00 1.00 C ATOM 218 CG GLU A 14 -5.548 -19.755 -0.150 1.00 1.00 C ATOM 219 CD GLU A 14 -6.902 -20.442 -0.291 1.00 1.00 C ATOM 220 OE1 GLU A 14 -7.274 -21.167 0.617 1.00 1.00 O ATOM 221 OE2 GLU A 14 -7.548 -20.232 -1.305 1.00 1.00 O ATOM 0 H GLU A 14 -2.759 -19.905 2.493 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.763 -17.970 0.554 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -5.490 -20.037 1.987 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -6.157 -18.494 1.490 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -5.470 -18.936 -0.865 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -4.748 -20.458 -0.382 1.00 1.00 H new ATOM 228 N CYS A 15 -4.281 -16.393 2.396 1.00 1.00 N ATOM 229 CA CYS A 15 -4.365 -15.387 3.452 1.00 1.00 C ATOM 230 C CYS A 15 -5.810 -14.985 3.632 1.00 1.00 C ATOM 231 O CYS A 15 -6.550 -14.897 2.661 1.00 1.00 O ATOM 232 CB CYS A 15 -3.553 -14.145 3.092 1.00 1.00 C ATOM 233 SG CYS A 15 -1.795 -14.555 3.024 1.00 1.00 S ATOM 0 H CYS A 15 -4.447 -16.030 1.457 1.00 1.00 H new ATOM 0 HA CYS A 15 -3.963 -15.815 4.371 1.00 1.00 H new ATOM 0 HB2 CYS A 15 -3.881 -13.752 2.129 1.00 1.00 H new ATOM 0 HB3 CYS A 15 -3.724 -13.362 3.831 1.00 1.00 H new ATOM 238 N GLN A 16 -6.210 -14.717 4.866 1.00 1.00 N ATOM 239 CA GLN A 16 -7.580 -14.298 5.150 1.00 1.00 C ATOM 240 C GLN A 16 -7.597 -12.821 5.506 1.00 1.00 C ATOM 241 O GLN A 16 -6.746 -12.343 6.256 1.00 1.00 O ATOM 242 CB GLN A 16 -8.157 -15.108 6.322 1.00 1.00 C ATOM 243 CG GLN A 16 -9.699 -14.917 6.410 1.00 1.00 C ATOM 244 CD GLN A 16 -10.426 -16.220 6.081 1.00 1.00 C ATOM 245 OE1 GLN A 16 -10.582 -16.564 4.834 1.00 1.00 O flip ATOM 246 NE2 GLN A 16 -10.860 -16.939 6.982 1.00 1.00 N flip ATOM 0 H GLN A 16 -5.609 -14.781 5.687 1.00 1.00 H new ATOM 0 HA GLN A 16 -8.189 -14.473 4.263 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -7.922 -16.164 6.192 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -7.692 -14.791 7.255 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -9.972 -14.586 7.412 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -10.013 -14.135 5.719 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -10.736 -16.666 7.957 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -11.344 -17.807 6.753 1.00 1.00 H new ATOM 255 N ASP A 17 -8.572 -12.104 4.967 1.00 1.00 N ATOM 256 CA ASP A 17 -8.702 -10.675 5.232 1.00 1.00 C ATOM 257 C ASP A 17 -9.696 -10.436 6.361 1.00 1.00 C ATOM 258 O ASP A 17 -10.185 -11.376 6.990 1.00 1.00 O ATOM 259 CB ASP A 17 -9.171 -9.945 3.970 1.00 1.00 C ATOM 260 CG ASP A 17 -8.898 -8.448 4.101 1.00 1.00 C ATOM 261 OD1 ASP A 17 -7.739 -8.085 4.215 1.00 1.00 O ATOM 262 OD2 ASP A 17 -9.851 -7.689 4.083 1.00 1.00 O ATOM 0 H ASP A 17 -9.284 -12.485 4.344 1.00 1.00 H new ATOM 0 HA ASP A 17 -7.727 -10.288 5.528 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -8.654 -10.342 3.097 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -10.236 -10.117 3.815 1.00 1.00 H new ATOM 267 N LEU A 18 -9.981 -9.169 6.615 1.00 1.00 N ATOM 268 CA LEU A 18 -10.907 -8.796 7.675 1.00 1.00 C ATOM 269 C LEU A 18 -12.344 -9.179 7.308 1.00 1.00 C ATOM 270 O LEU A 18 -13.172 -9.412 8.187 1.00 1.00 O ATOM 271 CB LEU A 18 -10.817 -7.284 7.930 1.00 1.00 C ATOM 272 CG LEU A 18 -9.558 -6.957 8.759 1.00 1.00 C ATOM 273 CD1 LEU A 18 -9.698 -7.471 10.208 1.00 1.00 C ATOM 274 CD2 LEU A 18 -8.332 -7.598 8.093 1.00 1.00 C ATOM 0 H LEU A 18 -9.585 -8.381 6.103 1.00 1.00 H new ATOM 0 HA LEU A 18 -10.632 -9.336 8.581 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -10.785 -6.749 6.981 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -11.708 -6.943 8.458 1.00 1.00 H new ATOM 0 HG LEU A 18 -9.436 -5.874 8.796 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -8.796 -7.227 10.769 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -10.559 -6.998 10.680 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -9.838 -8.552 10.199 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -7.440 -7.369 8.676 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -8.467 -8.679 8.045 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.217 -7.202 7.084 1.00 1.00 H new ATOM 286 N LYS A 19 -12.638 -9.223 6.006 1.00 1.00 N ATOM 287 CA LYS A 19 -13.978 -9.558 5.533 1.00 1.00 C ATOM 288 C LYS A 19 -14.187 -11.068 5.450 1.00 1.00 C ATOM 289 O LYS A 19 -15.248 -11.542 5.045 1.00 1.00 O ATOM 290 CB LYS A 19 -14.190 -8.937 4.150 1.00 1.00 C ATOM 291 CG LYS A 19 -15.686 -8.792 3.871 1.00 1.00 C ATOM 292 CD LYS A 19 -15.899 -8.024 2.562 1.00 1.00 C ATOM 293 CE LYS A 19 -15.637 -8.938 1.355 1.00 1.00 C ATOM 294 NZ LYS A 19 -16.128 -8.273 0.112 1.00 1.00 N ATOM 0 H LYS A 19 -11.965 -9.031 5.264 1.00 1.00 H new ATOM 0 HA LYS A 19 -14.700 -9.160 6.246 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -13.705 -7.962 4.101 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -13.727 -9.562 3.386 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -16.150 -9.776 3.805 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -16.169 -8.266 4.694 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -16.918 -7.640 2.520 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -15.232 -7.163 2.526 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -14.571 -9.150 1.270 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -16.142 -9.894 1.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -15.951 -8.891 -0.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -17.149 -8.092 0.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -15.627 -7.372 -0.021 1.00 1.00 H new ATOM 308 N GLY A 20 -13.176 -11.818 5.848 1.00 1.00 N ATOM 309 CA GLY A 20 -13.262 -13.276 5.835 1.00 1.00 C ATOM 310 C GLY A 20 -13.017 -13.853 4.443 1.00 1.00 C ATOM 311 O GLY A 20 -13.183 -15.054 4.227 1.00 1.00 O ATOM 0 H GLY A 20 -12.287 -11.448 6.184 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -12.532 -13.688 6.531 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -14.247 -13.584 6.186 1.00 1.00 H new ATOM 315 N VAL A 21 -12.618 -12.999 3.499 1.00 1.00 N ATOM 316 CA VAL A 21 -12.355 -13.453 2.132 1.00 1.00 C ATOM 317 C VAL A 21 -10.898 -13.889 1.992 1.00 1.00 C ATOM 318 O VAL A 21 -9.991 -13.218 2.485 1.00 1.00 O ATOM 319 CB VAL A 21 -12.661 -12.331 1.135 1.00 1.00 C ATOM 320 CG1 VAL A 21 -11.822 -11.099 1.472 1.00 1.00 C ATOM 321 CG2 VAL A 21 -12.321 -12.804 -0.280 1.00 1.00 C ATOM 0 H VAL A 21 -12.471 -12.001 3.652 1.00 1.00 H new ATOM 0 HA VAL A 21 -13.001 -14.304 1.917 1.00 1.00 H new ATOM 0 HB VAL A 21 -13.719 -12.075 1.193 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -12.042 -10.303 0.761 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -12.061 -10.761 2.480 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -10.764 -11.353 1.416 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -12.538 -12.007 -0.992 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -11.263 -13.060 -0.334 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -12.920 -13.682 -0.524 1.00 1.00 H new ATOM 331 N SER A 22 -10.678 -15.031 1.331 1.00 1.00 N ATOM 332 CA SER A 22 -9.322 -15.564 1.149 1.00 1.00 C ATOM 333 C SER A 22 -8.853 -15.394 -0.294 1.00 1.00 C ATOM 334 O SER A 22 -9.661 -15.346 -1.221 1.00 1.00 O ATOM 335 CB SER A 22 -9.299 -17.050 1.534 1.00 1.00 C ATOM 336 OG SER A 22 -10.240 -17.277 2.572 1.00 1.00 O ATOM 0 H SER A 22 -11.415 -15.601 0.916 1.00 1.00 H new ATOM 0 HA SER A 22 -8.643 -15.006 1.793 1.00 1.00 H new ATOM 0 HB2 SER A 22 -9.539 -17.666 0.668 1.00 1.00 H new ATOM 0 HB3 SER A 22 -8.300 -17.338 1.863 1.00 1.00 H new ATOM 0 HG SER A 22 -9.992 -16.749 3.360 1.00 1.00 H new ATOM 342 N HIS A 23 -7.532 -15.304 -0.473 1.00 1.00 N ATOM 343 CA HIS A 23 -6.946 -15.138 -1.805 1.00 1.00 C ATOM 344 C HIS A 23 -5.760 -16.093 -1.980 1.00 1.00 C ATOM 345 O HIS A 23 -5.048 -16.374 -1.017 1.00 1.00 O ATOM 346 CB HIS A 23 -6.458 -13.697 -1.980 1.00 1.00 C ATOM 347 CG HIS A 23 -7.549 -12.738 -1.588 1.00 1.00 C ATOM 348 ND1 HIS A 23 -8.384 -12.149 -2.524 1.00 1.00 N ATOM 349 CD2 HIS A 23 -7.944 -12.248 -0.369 1.00 1.00 C ATOM 350 CE1 HIS A 23 -9.233 -11.343 -1.859 1.00 1.00 C ATOM 351 NE2 HIS A 23 -9.007 -11.366 -0.542 1.00 1.00 N ATOM 0 H HIS A 23 -6.851 -15.343 0.285 1.00 1.00 H new ATOM 0 HA HIS A 23 -7.706 -15.363 -2.553 1.00 1.00 H new ATOM 0 HB2 HIS A 23 -5.573 -13.526 -1.367 1.00 1.00 H new ATOM 0 HB3 HIS A 23 -6.166 -13.526 -3.016 1.00 1.00 H new ATOM 0 HD1 HIS A 23 -8.360 -12.299 -3.533 1.00 1.00 H new ATOM 0 HD2 HIS A 23 -7.498 -12.507 0.580 1.00 1.00 H new ATOM 0 HE1 HIS A 23 -10.002 -10.751 -2.332 1.00 1.00 H new ATOM 360 N PRO A 24 -5.519 -16.587 -3.177 1.00 1.00 N ATOM 361 CA PRO A 24 -4.376 -17.515 -3.430 1.00 1.00 C ATOM 362 C PRO A 24 -3.030 -16.842 -3.140 1.00 1.00 C ATOM 363 O PRO A 24 -2.871 -15.645 -3.344 1.00 1.00 O ATOM 364 CB PRO A 24 -4.521 -17.904 -4.919 1.00 1.00 C ATOM 365 CG PRO A 24 -5.409 -16.861 -5.530 1.00 1.00 C ATOM 366 CD PRO A 24 -6.296 -16.324 -4.405 1.00 1.00 C ATOM 0 HA PRO A 24 -4.397 -18.388 -2.777 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -3.550 -17.929 -5.413 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -4.957 -18.898 -5.023 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.817 -16.060 -5.972 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.014 -17.288 -6.329 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -6.497 -15.260 -4.529 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -7.261 -16.830 -4.382 1.00 1.00 H new ATOM 374 N LEU A 25 -2.067 -17.619 -2.655 1.00 1.00 N ATOM 375 CA LEU A 25 -0.741 -17.093 -2.338 1.00 1.00 C ATOM 376 C LEU A 25 -0.165 -16.271 -3.508 1.00 1.00 C ATOM 377 O LEU A 25 -0.675 -16.325 -4.625 1.00 1.00 O ATOM 378 CB LEU A 25 0.179 -18.290 -2.026 1.00 1.00 C ATOM 379 CG LEU A 25 1.282 -17.897 -1.034 1.00 1.00 C ATOM 380 CD1 LEU A 25 0.682 -17.572 0.356 1.00 1.00 C ATOM 381 CD2 LEU A 25 2.281 -19.058 -0.929 1.00 1.00 C ATOM 0 H LEU A 25 -2.179 -18.616 -2.472 1.00 1.00 H new ATOM 0 HA LEU A 25 -0.811 -16.424 -1.480 1.00 1.00 H new ATOM 0 HB2 LEU A 25 -0.411 -19.108 -1.613 1.00 1.00 H new ATOM 0 HB3 LEU A 25 0.629 -18.656 -2.949 1.00 1.00 H new ATOM 0 HG LEU A 25 1.790 -17.001 -1.391 1.00 1.00 H new ATOM 0 HD11 LEU A 25 1.483 -17.296 1.042 1.00 1.00 H new ATOM 0 HD12 LEU A 25 -0.019 -16.743 0.265 1.00 1.00 H new ATOM 0 HD13 LEU A 25 0.160 -18.448 0.741 1.00 1.00 H new ATOM 0 HD21 LEU A 25 3.072 -18.795 -0.227 1.00 1.00 H new ATOM 0 HD22 LEU A 25 1.765 -19.951 -0.576 1.00 1.00 H new ATOM 0 HD23 LEU A 25 2.716 -19.254 -1.909 1.00 1.00 H new ATOM 393 N ASN A 26 0.927 -15.551 -3.235 1.00 1.00 N ATOM 394 CA ASN A 26 1.620 -14.746 -4.247 1.00 1.00 C ATOM 395 C ASN A 26 0.660 -13.948 -5.129 1.00 1.00 C ATOM 396 O ASN A 26 1.077 -13.364 -6.130 1.00 1.00 O ATOM 397 CB ASN A 26 2.466 -15.660 -5.136 1.00 1.00 C ATOM 398 CG ASN A 26 3.571 -16.328 -4.322 1.00 1.00 C ATOM 399 OD1 ASN A 26 3.911 -15.831 -3.166 1.00 1.00 O flip ATOM 400 ND2 ASN A 26 4.139 -17.330 -4.755 1.00 1.00 N flip ATOM 0 H ASN A 26 1.355 -15.509 -2.310 1.00 1.00 H new ATOM 0 HA ASN A 26 2.246 -14.032 -3.712 1.00 1.00 H new ATOM 0 HB2 ASN A 26 1.832 -16.421 -5.592 1.00 1.00 H new ATOM 0 HB3 ASN A 26 2.905 -15.081 -5.949 1.00 1.00 H new ATOM 0 HD21 ASN A 26 3.871 -17.717 -5.660 1.00 1.00 H new ATOM 0 HD22 ASN A 26 4.878 -17.774 -4.209 1.00 1.00 H new ATOM 407 N SER A 27 -0.620 -13.947 -4.781 1.00 1.00 N ATOM 408 CA SER A 27 -1.617 -13.240 -5.577 1.00 1.00 C ATOM 409 C SER A 27 -1.772 -11.809 -5.104 1.00 1.00 C ATOM 410 O SER A 27 -1.764 -11.535 -3.906 1.00 1.00 O ATOM 411 CB SER A 27 -2.958 -13.958 -5.495 1.00 1.00 C ATOM 412 OG SER A 27 -3.791 -13.516 -6.554 1.00 1.00 O ATOM 0 H SER A 27 -0.991 -14.424 -3.959 1.00 1.00 H new ATOM 0 HA SER A 27 -1.277 -13.227 -6.613 1.00 1.00 H new ATOM 0 HB2 SER A 27 -2.811 -15.036 -5.558 1.00 1.00 H new ATOM 0 HB3 SER A 27 -3.433 -13.757 -4.535 1.00 1.00 H new ATOM 0 HG SER A 27 -4.701 -13.852 -6.416 1.00 1.00 H new ATOM 418 N VAL A 28 -1.921 -10.900 -6.059 1.00 1.00 N ATOM 419 CA VAL A 28 -2.089 -9.487 -5.748 1.00 1.00 C ATOM 420 C VAL A 28 -3.502 -9.040 -6.114 1.00 1.00 C ATOM 421 O VAL A 28 -3.838 -8.916 -7.289 1.00 1.00 O ATOM 422 CB VAL A 28 -1.060 -8.659 -6.538 1.00 1.00 C ATOM 423 CG1 VAL A 28 -1.344 -8.741 -8.055 1.00 1.00 C ATOM 424 CG2 VAL A 28 -1.125 -7.201 -6.070 1.00 1.00 C ATOM 0 H VAL A 28 -1.929 -11.116 -7.056 1.00 1.00 H new ATOM 0 HA VAL A 28 -1.933 -9.333 -4.680 1.00 1.00 H new ATOM 0 HB VAL A 28 -0.063 -9.060 -6.357 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -0.606 -8.149 -8.596 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -1.285 -9.780 -8.380 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -2.341 -8.352 -8.260 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -0.398 -6.608 -6.625 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -2.126 -6.807 -6.246 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -0.897 -7.150 -5.005 1.00 1.00 H new ATOM 434 N TRP A 29 -4.329 -8.794 -5.099 1.00 1.00 N ATOM 435 CA TRP A 29 -5.707 -8.349 -5.326 1.00 1.00 C ATOM 436 C TRP A 29 -5.865 -6.918 -4.840 1.00 1.00 C ATOM 437 O TRP A 29 -4.947 -6.346 -4.251 1.00 1.00 O ATOM 438 CB TRP A 29 -6.702 -9.255 -4.594 1.00 1.00 C ATOM 439 CG TRP A 29 -6.509 -9.133 -3.121 1.00 1.00 C ATOM 440 CD1 TRP A 29 -7.279 -8.397 -2.287 1.00 1.00 C ATOM 441 CD2 TRP A 29 -5.493 -9.759 -2.297 1.00 1.00 C ATOM 442 NE1 TRP A 29 -6.793 -8.532 -0.998 1.00 1.00 N ATOM 443 CE2 TRP A 29 -5.691 -9.366 -0.954 1.00 1.00 C ATOM 444 CE3 TRP A 29 -4.430 -10.621 -2.589 1.00 1.00 C ATOM 445 CZ2 TRP A 29 -4.855 -9.819 0.068 1.00 1.00 C ATOM 446 CZ3 TRP A 29 -3.586 -11.082 -1.565 1.00 1.00 C ATOM 447 CH2 TRP A 29 -3.799 -10.682 -0.239 1.00 1.00 C ATOM 0 H TRP A 29 -4.073 -8.894 -4.117 1.00 1.00 H new ATOM 0 HA TRP A 29 -5.916 -8.401 -6.394 1.00 1.00 H new ATOM 0 HB2 TRP A 29 -7.722 -8.979 -4.860 1.00 1.00 H new ATOM 0 HB3 TRP A 29 -6.561 -10.290 -4.904 1.00 1.00 H new ATOM 0 HD1 TRP A 29 -8.132 -7.802 -2.579 1.00 1.00 H new ATOM 0 HE1 TRP A 29 -7.198 -8.073 -0.182 1.00 1.00 H new ATOM 0 HE3 TRP A 29 -4.257 -10.934 -3.608 1.00 1.00 H new ATOM 0 HZ2 TRP A 29 -5.023 -9.505 1.088 1.00 1.00 H new ATOM 0 HZ3 TRP A 29 -2.769 -11.748 -1.801 1.00 1.00 H new ATOM 0 HH2 TRP A 29 -3.148 -11.040 0.545 1.00 1.00 H new ATOM 458 N LYS A 30 -7.029 -6.344 -5.101 1.00 1.00 N ATOM 459 CA LYS A 30 -7.313 -4.965 -4.700 1.00 1.00 C ATOM 460 C LYS A 30 -8.616 -4.894 -3.913 1.00 1.00 C ATOM 461 O LYS A 30 -9.574 -5.608 -4.205 1.00 1.00 O ATOM 462 CB LYS A 30 -7.400 -4.076 -5.942 1.00 1.00 C ATOM 463 CG LYS A 30 -6.020 -4.001 -6.601 1.00 1.00 C ATOM 464 CD LYS A 30 -6.087 -3.126 -7.854 1.00 1.00 C ATOM 465 CE LYS A 30 -4.687 -2.989 -8.459 1.00 1.00 C ATOM 466 NZ LYS A 30 -4.330 -4.245 -9.178 1.00 1.00 N ATOM 0 H LYS A 30 -7.796 -6.807 -5.589 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.505 -4.611 -4.059 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.130 -4.480 -6.643 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.740 -3.078 -5.667 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.294 -3.591 -5.899 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.678 -5.002 -6.864 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.767 -3.567 -8.582 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.484 -2.142 -7.602 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -4.658 -2.143 -9.146 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -3.958 -2.787 -7.674 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -3.417 -4.122 -9.660 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.259 -5.027 -8.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -5.065 -4.464 -9.881 1.00 1.00 H new ATOM 480 N THR A 31 -8.635 -4.022 -2.908 1.00 1.00 N ATOM 481 CA THR A 31 -9.806 -3.841 -2.053 1.00 1.00 C ATOM 482 C THR A 31 -10.476 -2.501 -2.320 1.00 1.00 C ATOM 483 O THR A 31 -10.191 -1.830 -3.311 1.00 1.00 O ATOM 484 CB THR A 31 -9.390 -3.912 -0.581 1.00 1.00 C ATOM 485 OG1 THR A 31 -8.618 -2.766 -0.253 1.00 1.00 O ATOM 486 CG2 THR A 31 -8.563 -5.176 -0.348 1.00 1.00 C ATOM 0 H THR A 31 -7.845 -3.425 -2.664 1.00 1.00 H new ATOM 0 HA THR A 31 -10.515 -4.637 -2.278 1.00 1.00 H new ATOM 0 HB THR A 31 -10.278 -3.941 0.050 1.00 1.00 H new ATOM 0 HG1 THR A 31 -8.352 -2.810 0.689 1.00 1.00 H new ATOM 0 HG21 THR A 31 -8.266 -5.228 0.699 1.00 1.00 H new ATOM 0 HG22 THR A 31 -9.160 -6.053 -0.600 1.00 1.00 H new ATOM 0 HG23 THR A 31 -7.673 -5.150 -0.977 1.00 1.00 H new ATOM 494 N LYS A 32 -11.378 -2.133 -1.424 1.00 1.00 N ATOM 495 CA LYS A 32 -12.114 -0.887 -1.544 1.00 1.00 C ATOM 496 C LYS A 32 -11.146 0.291 -1.595 1.00 1.00 C ATOM 497 O LYS A 32 -11.389 1.283 -2.281 1.00 1.00 O ATOM 498 CB LYS A 32 -13.040 -0.734 -0.336 1.00 1.00 C ATOM 499 CG LYS A 32 -14.067 -1.871 -0.332 1.00 1.00 C ATOM 500 CD LYS A 32 -14.964 -1.749 0.902 1.00 1.00 C ATOM 501 CE LYS A 32 -15.998 -2.878 0.896 1.00 1.00 C ATOM 502 NZ LYS A 32 -15.300 -4.190 1.013 1.00 1.00 N ATOM 0 H LYS A 32 -11.618 -2.685 -0.600 1.00 1.00 H new ATOM 0 HA LYS A 32 -12.701 -0.902 -2.462 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -12.459 -0.752 0.586 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -13.548 0.229 -0.374 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -14.671 -1.832 -1.238 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -13.558 -2.835 -0.330 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -14.361 -1.798 1.809 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -15.466 -0.782 0.905 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -16.697 -2.750 1.723 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -16.583 -2.845 -0.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -15.971 -4.912 1.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -14.925 -4.468 0.084 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -14.517 -4.107 1.692 1.00 1.00 H new ATOM 516 N ASP A 33 -10.050 0.165 -0.855 1.00 1.00 N ATOM 517 CA ASP A 33 -9.034 1.218 -0.802 1.00 1.00 C ATOM 518 C ASP A 33 -8.085 1.117 -1.999 1.00 1.00 C ATOM 519 O ASP A 33 -6.951 1.593 -1.947 1.00 1.00 O ATOM 520 CB ASP A 33 -8.251 1.117 0.528 1.00 1.00 C ATOM 521 CG ASP A 33 -8.898 1.987 1.609 1.00 1.00 C ATOM 522 OD1 ASP A 33 -10.061 2.322 1.457 1.00 1.00 O ATOM 523 OD2 ASP A 33 -8.214 2.314 2.568 1.00 1.00 O ATOM 0 H ASP A 33 -9.840 -0.653 -0.283 1.00 1.00 H new ATOM 0 HA ASP A 33 -9.527 2.189 -0.850 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -8.222 0.079 0.860 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -7.219 1.431 0.372 1.00 1.00 H new ATOM 528 N CYS A 34 -8.571 0.510 -3.081 1.00 1.00 N ATOM 529 CA CYS A 34 -7.781 0.361 -4.308 1.00 1.00 C ATOM 530 C CYS A 34 -6.299 0.147 -4.006 1.00 1.00 C ATOM 531 O CYS A 34 -5.438 0.519 -4.801 1.00 1.00 O ATOM 532 CB CYS A 34 -7.954 1.606 -5.179 1.00 1.00 C ATOM 533 SG CYS A 34 -9.535 1.473 -6.053 1.00 1.00 S ATOM 0 H CYS A 34 -9.509 0.112 -3.135 1.00 1.00 H new ATOM 0 HA CYS A 34 -8.143 -0.521 -4.836 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -7.935 2.506 -4.564 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -7.132 1.689 -5.891 1.00 1.00 H new ATOM 538 N GLU A 35 -6.013 -0.468 -2.871 1.00 1.00 N ATOM 539 CA GLU A 35 -4.635 -0.744 -2.484 1.00 1.00 C ATOM 540 C GLU A 35 -4.195 -2.064 -3.097 1.00 1.00 C ATOM 541 O GLU A 35 -5.018 -2.818 -3.617 1.00 1.00 O ATOM 542 CB GLU A 35 -4.526 -0.827 -0.950 1.00 1.00 C ATOM 543 CG GLU A 35 -5.803 -1.445 -0.375 1.00 1.00 C ATOM 544 CD GLU A 35 -6.129 -2.752 -1.087 1.00 1.00 C ATOM 545 OE1 GLU A 35 -6.819 -2.697 -2.089 1.00 1.00 O ATOM 546 OE2 GLU A 35 -5.688 -3.788 -0.623 1.00 1.00 O ATOM 0 H GLU A 35 -6.713 -0.786 -2.201 1.00 1.00 H new ATOM 0 HA GLU A 35 -3.993 0.060 -2.843 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -3.661 -1.428 -0.669 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -4.372 0.168 -0.532 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -5.678 -1.627 0.692 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -6.633 -0.747 -0.484 1.00 1.00 H new ATOM 553 N GLU A 36 -2.904 -2.356 -2.999 1.00 1.00 N ATOM 554 CA GLU A 36 -2.367 -3.622 -3.511 1.00 1.00 C ATOM 555 C GLU A 36 -1.906 -4.474 -2.345 1.00 1.00 C ATOM 556 O GLU A 36 -1.012 -4.089 -1.593 1.00 1.00 O ATOM 557 CB GLU A 36 -1.197 -3.383 -4.462 1.00 1.00 C ATOM 558 CG GLU A 36 -1.724 -2.880 -5.806 1.00 1.00 C ATOM 559 CD GLU A 36 -0.558 -2.484 -6.708 1.00 1.00 C ATOM 560 OE1 GLU A 36 0.574 -2.607 -6.270 1.00 1.00 O ATOM 561 OE2 GLU A 36 -0.815 -2.060 -7.822 1.00 1.00 O ATOM 0 H GLU A 36 -2.209 -1.742 -2.574 1.00 1.00 H new ATOM 0 HA GLU A 36 -3.155 -4.133 -4.065 1.00 1.00 H new ATOM 0 HB2 GLU A 36 -0.510 -2.654 -4.033 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -0.635 -4.306 -4.603 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -2.319 -3.657 -6.287 1.00 1.00 H new ATOM 0 HG3 GLU A 36 -2.382 -2.025 -5.651 1.00 1.00 H new ATOM 568 N CYS A 37 -2.533 -5.634 -2.201 1.00 1.00 N ATOM 569 CA CYS A 37 -2.209 -6.559 -1.117 1.00 1.00 C ATOM 570 C CYS A 37 -1.757 -7.904 -1.660 1.00 1.00 C ATOM 571 O CYS A 37 -2.447 -8.521 -2.473 1.00 1.00 O ATOM 572 CB CYS A 37 -3.439 -6.778 -0.231 1.00 1.00 C ATOM 573 SG CYS A 37 -3.844 -5.256 0.661 1.00 1.00 S ATOM 0 H CYS A 37 -3.273 -5.960 -2.823 1.00 1.00 H new ATOM 0 HA CYS A 37 -1.398 -6.118 -0.537 1.00 1.00 H new ATOM 0 HB2 CYS A 37 -4.287 -7.086 -0.843 1.00 1.00 H new ATOM 0 HB3 CYS A 37 -3.247 -7.584 0.478 1.00 1.00 H new ATOM 578 N THR A 38 -0.605 -8.371 -1.179 1.00 1.00 N ATOM 579 CA THR A 38 -0.072 -9.674 -1.596 1.00 1.00 C ATOM 580 C THR A 38 -0.051 -10.625 -0.406 1.00 1.00 C ATOM 581 O THR A 38 0.396 -10.275 0.687 1.00 1.00 O ATOM 582 CB THR A 38 1.358 -9.531 -2.180 1.00 1.00 C ATOM 583 OG1 THR A 38 1.771 -8.177 -2.092 1.00 1.00 O ATOM 584 CG2 THR A 38 1.384 -9.977 -3.643 1.00 1.00 C ATOM 0 H THR A 38 -0.024 -7.873 -0.505 1.00 1.00 H new ATOM 0 HA THR A 38 -0.720 -10.076 -2.375 1.00 1.00 H new ATOM 0 HB THR A 38 2.037 -10.163 -1.607 1.00 1.00 H new ATOM 0 HG1 THR A 38 2.675 -8.086 -2.459 1.00 1.00 H new ATOM 0 HG21 THR A 38 2.394 -9.870 -4.038 1.00 1.00 H new ATOM 0 HG22 THR A 38 1.076 -11.020 -3.711 1.00 1.00 H new ATOM 0 HG23 THR A 38 0.700 -9.358 -4.224 1.00 1.00 H new ATOM 592 N CYS A 39 -0.539 -11.828 -0.635 1.00 1.00 N ATOM 593 CA CYS A 39 -0.578 -12.842 0.409 1.00 1.00 C ATOM 594 C CYS A 39 0.759 -13.564 0.519 1.00 1.00 C ATOM 595 O CYS A 39 1.131 -14.346 -0.358 1.00 1.00 O ATOM 596 CB CYS A 39 -1.683 -13.842 0.085 1.00 1.00 C ATOM 597 SG CYS A 39 -1.547 -15.289 1.164 1.00 1.00 S ATOM 0 H CYS A 39 -0.915 -12.131 -1.534 1.00 1.00 H new ATOM 0 HA CYS A 39 -0.779 -12.359 1.365 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.658 -13.373 0.214 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -1.612 -14.149 -0.959 1.00 1.00 H new ATOM 602 N GLY A 40 1.476 -13.304 1.609 1.00 1.00 N ATOM 603 CA GLY A 40 2.773 -13.942 1.833 1.00 1.00 C ATOM 604 C GLY A 40 2.588 -15.294 2.494 1.00 1.00 C ATOM 605 O GLY A 40 2.637 -16.333 1.840 1.00 1.00 O ATOM 0 H GLY A 40 1.185 -12.662 2.346 1.00 1.00 H new ATOM 0 HA2 GLY A 40 3.295 -14.062 0.884 1.00 1.00 H new ATOM 0 HA3 GLY A 40 3.396 -13.305 2.461 1.00 1.00 H new ATOM 609 N GLN A 41 2.365 -15.264 3.798 1.00 1.00 N ATOM 610 CA GLN A 41 2.152 -16.482 4.571 1.00 1.00 C ATOM 611 C GLN A 41 1.372 -16.164 5.841 1.00 1.00 C ATOM 612 O GLN A 41 0.203 -16.526 5.971 1.00 1.00 O ATOM 613 CB GLN A 41 3.486 -17.129 4.951 1.00 1.00 C ATOM 614 CG GLN A 41 4.160 -17.721 3.708 1.00 1.00 C ATOM 615 CD GLN A 41 5.327 -18.610 4.124 1.00 1.00 C ATOM 616 OE1 GLN A 41 5.763 -18.566 5.354 1.00 1.00 O flip ATOM 617 NE2 GLN A 41 5.850 -19.368 3.308 1.00 1.00 N flip ATOM 0 H GLN A 41 2.326 -14.406 4.348 1.00 1.00 H new ATOM 0 HA GLN A 41 1.585 -17.178 3.953 1.00 1.00 H new ATOM 0 HB2 GLN A 41 4.140 -16.388 5.410 1.00 1.00 H new ATOM 0 HB3 GLN A 41 3.321 -17.911 5.692 1.00 1.00 H new ATOM 0 HG2 GLN A 41 3.437 -18.300 3.133 1.00 1.00 H new ATOM 0 HG3 GLN A 41 4.515 -16.920 3.060 1.00 1.00 H new ATOM 0 HE21 GLN A 41 5.507 -19.399 2.348 1.00 1.00 H new ATOM 0 HE22 GLN A 41 6.627 -19.965 3.591 1.00 1.00 H new ATOM 626 N ASP A 42 2.030 -15.481 6.778 1.00 1.00 N ATOM 627 CA ASP A 42 1.402 -15.104 8.045 1.00 1.00 C ATOM 628 C ASP A 42 1.218 -13.594 8.116 1.00 1.00 C ATOM 629 O ASP A 42 0.842 -13.053 9.156 1.00 1.00 O ATOM 630 CB ASP A 42 2.283 -15.553 9.212 1.00 1.00 C ATOM 631 CG ASP A 42 3.696 -15.009 9.037 1.00 1.00 C ATOM 632 OD1 ASP A 42 4.018 -14.595 7.934 1.00 1.00 O ATOM 633 OD2 ASP A 42 4.436 -15.008 10.008 1.00 1.00 O ATOM 0 H ASP A 42 2.999 -15.177 6.683 1.00 1.00 H new ATOM 0 HA ASP A 42 0.428 -15.589 8.107 1.00 1.00 H new ATOM 0 HB2 ASP A 42 1.862 -15.199 10.153 1.00 1.00 H new ATOM 0 HB3 ASP A 42 2.307 -16.642 9.263 1.00 1.00 H new ATOM 638 N ALA A 43 1.495 -12.910 7.008 1.00 1.00 N ATOM 639 CA ALA A 43 1.361 -11.459 6.973 1.00 1.00 C ATOM 640 C ALA A 43 1.124 -10.971 5.553 1.00 1.00 C ATOM 641 O ALA A 43 1.897 -11.270 4.643 1.00 1.00 O ATOM 642 CB ALA A 43 2.629 -10.799 7.531 1.00 1.00 C ATOM 0 H ALA A 43 1.809 -13.332 6.134 1.00 1.00 H new ATOM 0 HA ALA A 43 0.504 -11.184 7.588 1.00 1.00 H new ATOM 0 HB1 ALA A 43 2.519 -9.715 7.500 1.00 1.00 H new ATOM 0 HB2 ALA A 43 2.782 -11.119 8.562 1.00 1.00 H new ATOM 0 HB3 ALA A 43 3.488 -11.093 6.928 1.00 1.00 H new ATOM 648 N ILE A 44 0.054 -10.206 5.373 1.00 1.00 N ATOM 649 CA ILE A 44 -0.280 -9.663 4.065 1.00 1.00 C ATOM 650 C ILE A 44 0.422 -8.324 3.886 1.00 1.00 C ATOM 651 O ILE A 44 0.346 -7.456 4.758 1.00 1.00 O ATOM 652 CB ILE A 44 -1.791 -9.460 3.958 1.00 1.00 C ATOM 653 CG1 ILE A 44 -2.508 -10.800 4.174 1.00 1.00 C ATOM 654 CG2 ILE A 44 -2.133 -8.929 2.566 1.00 1.00 C ATOM 655 CD1 ILE A 44 -4.026 -10.581 4.261 1.00 1.00 C ATOM 0 H ILE A 44 -0.596 -9.949 6.116 1.00 1.00 H new ATOM 0 HA ILE A 44 0.044 -10.359 3.291 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.114 -8.747 4.716 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -2.278 -11.480 3.354 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -2.148 -11.270 5.089 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -3.210 -8.783 2.487 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -1.625 -7.978 2.404 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -1.808 -9.647 1.813 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -4.524 -11.539 4.414 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.251 -9.918 5.096 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -4.382 -10.131 3.334 1.00 1.00 H new ATOM 667 N SER A 45 1.089 -8.142 2.751 1.00 1.00 N ATOM 668 CA SER A 45 1.781 -6.881 2.480 1.00 1.00 C ATOM 669 C SER A 45 0.867 -5.970 1.682 1.00 1.00 C ATOM 670 O SER A 45 0.671 -6.180 0.486 1.00 1.00 O ATOM 671 CB SER A 45 3.064 -7.146 1.691 1.00 1.00 C ATOM 672 OG SER A 45 3.671 -5.905 1.352 1.00 1.00 O ATOM 0 H SER A 45 1.167 -8.840 2.011 1.00 1.00 H new ATOM 0 HA SER A 45 2.041 -6.402 3.424 1.00 1.00 H new ATOM 0 HB2 SER A 45 3.751 -7.750 2.284 1.00 1.00 H new ATOM 0 HB3 SER A 45 2.839 -7.713 0.788 1.00 1.00 H new ATOM 0 HG SER A 45 4.495 -6.071 0.847 1.00 1.00 H new ATOM 678 N CYS A 46 0.300 -4.959 2.343 1.00 1.00 N ATOM 679 CA CYS A 46 -0.608 -4.031 1.674 1.00 1.00 C ATOM 680 C CYS A 46 0.046 -2.689 1.466 1.00 1.00 C ATOM 681 O CYS A 46 0.913 -2.287 2.233 1.00 1.00 O ATOM 682 CB CYS A 46 -1.886 -3.864 2.491 1.00 1.00 C ATOM 683 SG CYS A 46 -2.835 -5.399 2.406 1.00 1.00 S ATOM 0 H CYS A 46 0.453 -4.764 3.333 1.00 1.00 H new ATOM 0 HA CYS A 46 -0.857 -4.447 0.698 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.644 -3.627 3.527 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.476 -3.033 2.104 1.00 1.00 H new ATOM 688 N CYS A 47 -0.410 -1.988 0.434 1.00 1.00 N ATOM 689 CA CYS A 47 0.123 -0.658 0.137 1.00 1.00 C ATOM 690 C CYS A 47 -0.877 0.206 -0.618 1.00 1.00 C ATOM 691 O CYS A 47 -1.745 -0.291 -1.338 1.00 1.00 O ATOM 692 CB CYS A 47 1.432 -0.752 -0.651 1.00 1.00 C ATOM 693 SG CYS A 47 2.335 0.808 -0.454 1.00 1.00 S ATOM 0 H CYS A 47 -1.137 -2.310 -0.205 1.00 1.00 H new ATOM 0 HA CYS A 47 0.320 -0.180 1.096 1.00 1.00 H new ATOM 0 HB2 CYS A 47 2.033 -1.586 -0.289 1.00 1.00 H new ATOM 0 HB3 CYS A 47 1.227 -0.941 -1.705 1.00 1.00 H new ATOM 698 N ASN A 48 -0.734 1.515 -0.432 1.00 1.00 N ATOM 699 CA ASN A 48 -1.611 2.488 -1.078 1.00 1.00 C ATOM 700 C ASN A 48 -1.155 2.774 -2.504 1.00 1.00 C ATOM 701 O ASN A 48 0.029 3.005 -2.753 1.00 1.00 O ATOM 702 CB ASN A 48 -1.611 3.796 -0.277 1.00 1.00 C ATOM 703 CG ASN A 48 -2.373 4.888 -1.031 1.00 1.00 C ATOM 704 OD1 ASN A 48 -3.597 4.973 -0.933 1.00 1.00 O ATOM 705 ND2 ASN A 48 -1.714 5.729 -1.785 1.00 1.00 N ATOM 0 H ASN A 48 -0.016 1.928 0.163 1.00 1.00 H new ATOM 0 HA ASN A 48 -2.617 2.070 -1.110 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -2.070 3.632 0.698 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -0.586 4.119 -0.097 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.214 6.458 -2.294 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -0.700 5.656 -1.864 1.00 1.00 H new ATOM 712 N THR A 49 -2.109 2.763 -3.436 1.00 1.00 N ATOM 713 CA THR A 49 -1.811 3.033 -4.847 1.00 1.00 C ATOM 714 C THR A 49 -2.581 4.249 -5.354 1.00 1.00 C ATOM 715 O THR A 49 -2.541 4.558 -6.546 1.00 1.00 O ATOM 716 CB THR A 49 -2.186 1.822 -5.701 1.00 1.00 C ATOM 717 OG1 THR A 49 -3.594 1.657 -5.674 1.00 1.00 O ATOM 718 CG2 THR A 49 -1.510 0.550 -5.157 1.00 1.00 C ATOM 0 H THR A 49 -3.092 2.571 -3.242 1.00 1.00 H new ATOM 0 HA THR A 49 -0.743 3.234 -4.926 1.00 1.00 H new ATOM 0 HB THR A 49 -1.847 1.987 -6.724 1.00 1.00 H new ATOM 0 HG1 THR A 49 -3.836 1.022 -4.967 1.00 1.00 H new ATOM 0 HG21 THR A 49 -1.788 -0.303 -5.776 1.00 1.00 H new ATOM 0 HG22 THR A 49 -0.428 0.676 -5.177 1.00 1.00 H new ATOM 0 HG23 THR A 49 -1.836 0.375 -4.132 1.00 1.00 H new ATOM 726 N ALA A 50 -3.276 4.946 -4.460 1.00 1.00 N ATOM 727 CA ALA A 50 -4.029 6.128 -4.866 1.00 1.00 C ATOM 728 C ALA A 50 -3.077 7.307 -5.035 1.00 1.00 C ATOM 729 O ALA A 50 -2.319 7.644 -4.127 1.00 1.00 O ATOM 730 CB ALA A 50 -5.095 6.466 -3.817 1.00 1.00 C ATOM 0 H ALA A 50 -3.334 4.719 -3.467 1.00 1.00 H new ATOM 0 HA ALA A 50 -4.525 5.923 -5.815 1.00 1.00 H new ATOM 0 HB1 ALA A 50 -5.649 7.350 -4.133 1.00 1.00 H new ATOM 0 HB2 ALA A 50 -5.781 5.626 -3.712 1.00 1.00 H new ATOM 0 HB3 ALA A 50 -4.613 6.663 -2.859 1.00 1.00 H new ATOM 736 N ALA A 51 -3.110 7.914 -6.216 1.00 1.00 N ATOM 737 CA ALA A 51 -2.237 9.039 -6.525 1.00 1.00 C ATOM 738 C ALA A 51 -2.465 10.207 -5.563 1.00 1.00 C ATOM 739 O ALA A 51 -3.597 10.609 -5.327 1.00 1.00 O ATOM 740 CB ALA A 51 -2.519 9.480 -7.967 1.00 1.00 C ATOM 0 H ALA A 51 -3.734 7.645 -6.977 1.00 1.00 H new ATOM 0 HA ALA A 51 -1.198 8.728 -6.414 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -1.876 10.323 -8.222 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -2.318 8.652 -8.647 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -3.563 9.779 -8.058 1.00 1.00 H new ATOM 746 N ILE A 52 -1.374 10.738 -5.003 1.00 1.00 N ATOM 747 CA ILE A 52 -1.457 11.852 -4.058 1.00 1.00 C ATOM 748 C ILE A 52 -1.195 13.193 -4.770 1.00 1.00 C ATOM 749 O ILE A 52 -0.057 13.462 -5.159 1.00 1.00 O ATOM 750 CB ILE A 52 -0.422 11.666 -2.945 1.00 1.00 C ATOM 751 CG1 ILE A 52 -0.649 10.320 -2.254 1.00 1.00 C ATOM 752 CG2 ILE A 52 -0.570 12.792 -1.921 1.00 1.00 C ATOM 753 CD1 ILE A 52 0.529 10.018 -1.327 1.00 1.00 C ATOM 0 H ILE A 52 -0.425 10.414 -5.188 1.00 1.00 H new ATOM 0 HA ILE A 52 -2.461 11.866 -3.634 1.00 1.00 H new ATOM 0 HB ILE A 52 0.580 11.690 -3.374 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -1.578 10.344 -1.684 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -0.752 9.530 -2.998 1.00 1.00 H new ATOM 0 HG21 ILE A 52 0.166 12.661 -1.128 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -0.409 13.752 -2.411 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -1.572 12.766 -1.494 1.00 1.00 H new ATOM 0 HD11 ILE A 52 0.368 9.059 -0.834 1.00 1.00 H new ATOM 0 HD12 ILE A 52 1.449 9.976 -1.910 1.00 1.00 H new ATOM 0 HD13 ILE A 52 0.611 10.803 -0.575 1.00 1.00 H new ATOM 765 N PRO A 53 -2.193 14.038 -4.961 1.00 1.00 N ATOM 766 CA PRO A 53 -2.000 15.355 -5.650 1.00 1.00 C ATOM 767 C PRO A 53 -1.105 16.299 -4.846 1.00 1.00 C ATOM 768 O PRO A 53 -0.973 16.155 -3.630 1.00 1.00 O ATOM 769 CB PRO A 53 -3.427 15.914 -5.802 1.00 1.00 C ATOM 770 CG PRO A 53 -4.234 15.224 -4.756 1.00 1.00 C ATOM 771 CD PRO A 53 -3.600 13.845 -4.561 1.00 1.00 C ATOM 0 HA PRO A 53 -1.492 15.245 -6.608 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -3.443 16.995 -5.662 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -3.823 15.716 -6.798 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -4.227 15.790 -3.824 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -5.275 15.133 -5.066 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -3.678 13.513 -3.526 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -4.090 13.090 -5.176 1.00 1.00 H new ATOM 779 N THR A 54 -0.491 17.270 -5.530 1.00 1.00 N ATOM 780 CA THR A 54 0.384 18.232 -4.852 1.00 1.00 C ATOM 781 C THR A 54 0.317 19.603 -5.529 1.00 1.00 C ATOM 782 O THR A 54 -0.294 19.754 -6.586 1.00 1.00 O ATOM 783 CB THR A 54 1.832 17.701 -4.833 1.00 1.00 C ATOM 784 OG1 THR A 54 2.533 18.299 -3.752 1.00 1.00 O ATOM 785 CG2 THR A 54 2.560 18.034 -6.148 1.00 1.00 C ATOM 0 H THR A 54 -0.581 17.410 -6.536 1.00 1.00 H new ATOM 0 HA THR A 54 0.040 18.352 -3.825 1.00 1.00 H new ATOM 0 HB THR A 54 1.802 16.618 -4.717 1.00 1.00 H new ATOM 0 HG1 THR A 54 3.454 17.964 -3.734 1.00 1.00 H new ATOM 0 HG21 THR A 54 3.579 17.648 -6.108 1.00 1.00 H new ATOM 0 HG22 THR A 54 2.031 17.575 -6.983 1.00 1.00 H new ATOM 0 HG23 THR A 54 2.587 19.115 -6.286 1.00 1.00 H new ATOM 793 N GLY A 55 0.978 20.583 -4.928 1.00 1.00 N ATOM 794 CA GLY A 55 1.020 21.933 -5.491 1.00 1.00 C ATOM 795 C GLY A 55 -0.224 22.754 -5.141 1.00 1.00 C ATOM 796 O GLY A 55 -0.334 23.915 -5.537 1.00 1.00 O ATOM 0 H GLY A 55 1.492 20.473 -4.054 1.00 1.00 H new ATOM 0 HA2 GLY A 55 1.907 22.449 -5.123 1.00 1.00 H new ATOM 0 HA3 GLY A 55 1.115 21.868 -6.575 1.00 1.00 H new ATOM 800 N TYR A 56 -1.157 22.160 -4.397 1.00 1.00 N ATOM 801 CA TYR A 56 -2.369 22.868 -4.011 1.00 1.00 C ATOM 802 C TYR A 56 -2.067 23.820 -2.861 1.00 1.00 C ATOM 803 O TYR A 56 -0.959 23.832 -2.328 1.00 1.00 O ATOM 804 CB TYR A 56 -3.444 21.865 -3.587 1.00 1.00 C ATOM 805 CG TYR A 56 -2.891 20.980 -2.498 1.00 1.00 C ATOM 806 CD1 TYR A 56 -2.887 21.426 -1.174 1.00 1.00 C ATOM 807 CD2 TYR A 56 -2.381 19.715 -2.811 1.00 1.00 C ATOM 808 CE1 TYR A 56 -2.373 20.615 -0.162 1.00 1.00 C ATOM 809 CE2 TYR A 56 -1.866 18.897 -1.798 1.00 1.00 C ATOM 810 CZ TYR A 56 -1.860 19.348 -0.472 1.00 1.00 C ATOM 811 OH TYR A 56 -1.343 18.546 0.525 1.00 1.00 O ATOM 0 H TYR A 56 -1.095 21.201 -4.055 1.00 1.00 H new ATOM 0 HA TYR A 56 -2.734 23.442 -4.863 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.330 22.391 -3.231 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.753 21.262 -4.441 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -3.283 22.402 -0.933 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -2.385 19.370 -3.834 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -2.370 20.963 0.860 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -1.474 17.920 -2.039 1.00 1.00 H new ATOM 0 HH TYR A 56 -1.032 17.702 0.137 1.00 1.00 H new ATOM 821 N ASP A 57 -3.049 24.641 -2.497 1.00 1.00 N ATOM 822 CA ASP A 57 -2.850 25.615 -1.427 1.00 1.00 C ATOM 823 C ASP A 57 -2.993 24.966 -0.056 1.00 1.00 C ATOM 824 O ASP A 57 -4.096 24.736 0.431 1.00 1.00 O ATOM 825 CB ASP A 57 -3.855 26.754 -1.564 1.00 1.00 C ATOM 826 CG ASP A 57 -3.748 27.379 -2.950 1.00 1.00 C ATOM 827 OD1 ASP A 57 -2.643 27.705 -3.347 1.00 1.00 O ATOM 828 OD2 ASP A 57 -4.775 27.516 -3.598 1.00 1.00 O ATOM 0 H ASP A 57 -3.977 24.653 -2.920 1.00 1.00 H new ATOM 0 HA ASP A 57 -1.838 26.009 -1.515 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -4.866 26.380 -1.402 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -3.668 27.509 -0.800 1.00 1.00 H new ATOM 833 N THR A 58 -1.866 24.664 0.556 1.00 1.00 N ATOM 834 CA THR A 58 -1.872 24.015 1.857 1.00 1.00 C ATOM 835 C THR A 58 -2.584 24.859 2.910 1.00 1.00 C ATOM 836 O THR A 58 -3.024 24.330 3.930 1.00 1.00 O ATOM 837 CB THR A 58 -0.441 23.739 2.302 1.00 1.00 C ATOM 838 OG1 THR A 58 0.265 24.968 2.405 1.00 1.00 O ATOM 839 CG2 THR A 58 0.243 22.844 1.270 1.00 1.00 C ATOM 0 H THR A 58 -0.938 24.855 0.179 1.00 1.00 H new ATOM 0 HA THR A 58 -2.418 23.077 1.757 1.00 1.00 H new ATOM 0 HB THR A 58 -0.447 23.241 3.271 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.185 24.793 2.693 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.267 22.644 1.584 1.00 1.00 H new ATOM 0 HG22 THR A 58 -0.301 21.903 1.186 1.00 1.00 H new ATOM 0 HG23 THR A 58 0.252 23.345 0.302 1.00 1.00 H new ATOM 847 N ASN A 59 -2.699 26.165 2.677 1.00 1.00 N ATOM 848 CA ASN A 59 -3.366 27.042 3.641 1.00 1.00 C ATOM 849 C ASN A 59 -4.817 27.295 3.237 1.00 1.00 C ATOM 850 O ASN A 59 -5.609 27.792 4.037 1.00 1.00 O ATOM 851 CB ASN A 59 -2.625 28.377 3.704 1.00 1.00 C ATOM 852 CG ASN A 59 -1.200 28.156 4.199 1.00 1.00 C ATOM 853 OD1 ASN A 59 -0.991 27.842 5.371 1.00 1.00 O ATOM 854 ND2 ASN A 59 -0.203 28.297 3.370 1.00 1.00 N ATOM 0 H ASN A 59 -2.346 26.635 1.843 1.00 1.00 H new ATOM 0 HA ASN A 59 -3.355 26.555 4.616 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -2.609 28.841 2.718 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -3.149 29.063 4.370 1.00 1.00 H new ATOM 0 HD21 ASN A 59 0.753 28.147 3.692 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -0.379 28.557 2.400 1.00 1.00 H new ATOM 861 N LYS A 60 -5.158 26.980 1.984 1.00 1.00 N ATOM 862 CA LYS A 60 -6.515 27.208 1.478 1.00 1.00 C ATOM 863 C LYS A 60 -7.056 25.969 0.773 1.00 1.00 C ATOM 864 O LYS A 60 -8.042 26.046 0.039 1.00 1.00 O ATOM 865 CB LYS A 60 -6.503 28.384 0.509 1.00 1.00 C ATOM 866 CG LYS A 60 -6.206 29.679 1.284 1.00 1.00 C ATOM 867 CD LYS A 60 -6.064 30.873 0.308 1.00 1.00 C ATOM 868 CE LYS A 60 -4.587 31.101 -0.052 1.00 1.00 C ATOM 869 NZ LYS A 60 -3.890 29.791 -0.176 1.00 1.00 N ATOM 0 H LYS A 60 -4.518 26.569 1.305 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.165 27.429 2.324 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.749 28.227 -0.262 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -7.465 28.462 0.002 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -7.008 29.876 1.995 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -5.289 29.562 1.862 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.640 30.681 -0.597 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.477 31.773 0.763 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.513 31.653 -0.989 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.106 31.708 0.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -2.900 29.949 -0.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -3.919 29.294 0.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.363 29.213 -0.899 1.00 1.00 H new ATOM 883 N CYS A 61 -6.423 24.826 1.027 1.00 1.00 N ATOM 884 CA CYS A 61 -6.875 23.567 0.434 1.00 1.00 C ATOM 885 C CYS A 61 -6.429 22.363 1.259 1.00 1.00 C ATOM 886 O CYS A 61 -5.469 22.437 2.024 1.00 1.00 O ATOM 887 CB CYS A 61 -6.371 23.414 -1.003 1.00 1.00 C ATOM 888 SG CYS A 61 -7.112 24.671 -2.071 1.00 1.00 S ATOM 0 H CYS A 61 -5.606 24.744 1.631 1.00 1.00 H new ATOM 0 HA CYS A 61 -7.964 23.600 0.426 1.00 1.00 H new ATOM 0 HB2 CYS A 61 -5.285 23.504 -1.025 1.00 1.00 H new ATOM 0 HB3 CYS A 61 -6.616 22.420 -1.377 1.00 1.00 H new ATOM 893 N GLN A 62 -7.152 21.254 1.095 1.00 1.00 N ATOM 894 CA GLN A 62 -6.849 20.023 1.830 1.00 1.00 C ATOM 895 C GLN A 62 -6.990 18.806 0.922 1.00 1.00 C ATOM 896 O GLN A 62 -7.610 18.883 -0.138 1.00 1.00 O ATOM 897 CB GLN A 62 -7.800 19.892 3.018 1.00 1.00 C ATOM 898 CG GLN A 62 -9.243 20.042 2.527 1.00 1.00 C ATOM 899 CD GLN A 62 -10.208 19.944 3.705 1.00 1.00 C ATOM 900 OE1 GLN A 62 -9.858 20.310 4.826 1.00 1.00 O ATOM 901 NE2 GLN A 62 -11.410 19.470 3.516 1.00 1.00 N ATOM 0 H GLN A 62 -7.949 21.182 0.462 1.00 1.00 H new ATOM 0 HA GLN A 62 -5.820 20.072 2.186 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -7.666 18.924 3.501 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -7.576 20.654 3.764 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -9.367 21.001 2.024 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -9.469 19.266 1.795 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -11.698 19.167 2.586 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -12.061 19.403 4.299 1.00 1.00 H new ATOM 910 N LYS A 63 -6.417 17.678 1.348 1.00 1.00 N ATOM 911 CA LYS A 63 -6.490 16.440 0.569 1.00 1.00 C ATOM 912 C LYS A 63 -7.423 15.445 1.250 1.00 1.00 C ATOM 913 O LYS A 63 -7.212 15.062 2.400 1.00 1.00 O ATOM 914 CB LYS A 63 -5.096 15.812 0.404 1.00 1.00 C ATOM 915 CG LYS A 63 -4.304 15.870 1.729 1.00 1.00 C ATOM 916 CD LYS A 63 -3.620 17.250 1.934 1.00 1.00 C ATOM 917 CE LYS A 63 -2.260 17.059 2.622 1.00 1.00 C ATOM 918 NZ LYS A 63 -2.458 16.369 3.929 1.00 1.00 N ATOM 0 H LYS A 63 -5.900 17.596 2.223 1.00 1.00 H new ATOM 0 HA LYS A 63 -6.880 16.685 -0.419 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -5.196 14.776 0.081 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -4.546 16.338 -0.376 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -4.977 15.670 2.563 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -3.548 15.085 1.735 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -3.485 17.746 0.973 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -4.257 17.896 2.539 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -1.597 16.473 1.986 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -1.780 18.025 2.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -1.597 16.463 4.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -3.260 16.801 4.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -2.655 15.361 3.763 1.00 1.00 H new ATOM 932 N ILE A 64 -8.450 15.022 0.522 1.00 1.00 N ATOM 933 CA ILE A 64 -9.424 14.061 1.042 1.00 1.00 C ATOM 934 C ILE A 64 -9.535 12.872 0.093 1.00 1.00 C ATOM 935 O ILE A 64 -9.826 13.046 -1.092 1.00 1.00 O ATOM 936 CB ILE A 64 -10.794 14.737 1.166 1.00 1.00 C ATOM 937 CG1 ILE A 64 -10.711 15.937 2.131 1.00 1.00 C ATOM 938 CG2 ILE A 64 -11.831 13.726 1.668 1.00 1.00 C ATOM 939 CD1 ILE A 64 -10.239 15.500 3.529 1.00 1.00 C ATOM 0 H ILE A 64 -8.633 15.329 -0.433 1.00 1.00 H new ATOM 0 HA ILE A 64 -9.095 13.714 2.021 1.00 1.00 H new ATOM 0 HB ILE A 64 -11.099 15.100 0.184 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -10.024 16.682 1.730 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -11.689 16.413 2.207 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -12.802 14.213 1.754 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -11.902 12.897 0.964 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -11.527 13.348 2.644 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -10.191 16.369 4.185 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -10.941 14.774 3.939 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -9.250 15.047 3.454 1.00 1.00 H new ATOM 951 N LEU A 65 -9.312 11.664 0.610 1.00 1.00 N ATOM 952 CA LEU A 65 -9.400 10.462 -0.217 1.00 1.00 C ATOM 953 C LEU A 65 -10.831 9.942 -0.219 1.00 1.00 C ATOM 954 O LEU A 65 -11.368 9.556 0.819 1.00 1.00 O ATOM 955 CB LEU A 65 -8.439 9.384 0.315 1.00 1.00 C ATOM 956 CG LEU A 65 -8.615 8.067 -0.464 1.00 1.00 C ATOM 957 CD1 LEU A 65 -8.450 8.307 -1.971 1.00 1.00 C ATOM 958 CD2 LEU A 65 -7.562 7.058 0.001 1.00 1.00 C ATOM 0 H LEU A 65 -9.072 11.493 1.586 1.00 1.00 H new ATOM 0 HA LEU A 65 -9.113 10.709 -1.239 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -7.410 9.731 0.225 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.627 9.213 1.375 1.00 1.00 H new ATOM 0 HG LEU A 65 -9.616 7.679 -0.274 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -8.578 7.366 -2.505 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -9.200 9.021 -2.310 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -7.455 8.705 -2.169 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -7.684 6.125 -0.549 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -6.566 7.460 -0.184 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -7.685 6.869 1.068 1.00 1.00 H new ATOM 970 N ASN A 66 -11.442 9.925 -1.400 1.00 1.00 N ATOM 971 CA ASN A 66 -12.807 9.442 -1.532 1.00 1.00 C ATOM 972 C ASN A 66 -12.794 7.928 -1.594 1.00 1.00 C ATOM 973 O ASN A 66 -11.958 7.343 -2.276 1.00 1.00 O ATOM 974 CB ASN A 66 -13.443 10.008 -2.800 1.00 1.00 C ATOM 975 CG ASN A 66 -13.672 11.507 -2.637 1.00 1.00 C ATOM 976 OD1 ASN A 66 -13.914 11.981 -1.528 1.00 1.00 O ATOM 977 ND2 ASN A 66 -13.607 12.284 -3.681 1.00 1.00 N ATOM 0 H ASN A 66 -11.015 10.238 -2.272 1.00 1.00 H new ATOM 0 HA ASN A 66 -13.392 9.769 -0.672 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -12.796 9.821 -3.657 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -14.390 9.505 -2.999 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -13.757 13.288 -3.580 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -13.406 11.888 -4.599 1.00 1.00 H new ATOM 984 N LYS A 67 -13.706 7.291 -0.872 1.00 1.00 N ATOM 985 CA LYS A 67 -13.762 5.829 -0.855 1.00 1.00 C ATOM 986 C LYS A 67 -14.797 5.334 -1.855 1.00 1.00 C ATOM 987 O LYS A 67 -14.909 4.134 -2.106 1.00 1.00 O ATOM 988 CB LYS A 67 -14.089 5.330 0.574 1.00 1.00 C ATOM 989 CG LYS A 67 -12.795 5.013 1.345 1.00 1.00 C ATOM 990 CD LYS A 67 -12.036 6.310 1.644 1.00 1.00 C ATOM 991 CE LYS A 67 -10.600 5.983 2.051 1.00 1.00 C ATOM 992 NZ LYS A 67 -9.934 5.230 0.947 1.00 1.00 N ATOM 0 H LYS A 67 -14.410 7.753 -0.296 1.00 1.00 H new ATOM 0 HA LYS A 67 -12.790 5.428 -1.144 1.00 1.00 H new ATOM 0 HB2 LYS A 67 -14.661 6.089 1.108 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -14.714 4.439 0.520 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -13.033 4.498 2.276 1.00 1.00 H new ATOM 0 HG3 LYS A 67 -12.168 4.341 0.759 1.00 1.00 H new ATOM 0 HD2 LYS A 67 -12.037 6.955 0.765 1.00 1.00 H new ATOM 0 HD3 LYS A 67 -12.535 6.859 2.443 1.00 1.00 H new ATOM 0 HE2 LYS A 67 -10.052 6.901 2.263 1.00 1.00 H new ATOM 0 HE3 LYS A 67 -10.595 5.390 2.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 -8.903 5.255 1.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 -10.260 4.243 0.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 -10.174 5.667 0.034 1.00 1.00 H new ATOM 1006 N LYS A 68 -15.541 6.260 -2.439 1.00 1.00 N ATOM 1007 CA LYS A 68 -16.538 5.878 -3.417 1.00 1.00 C ATOM 1008 C LYS A 68 -15.843 5.323 -4.652 1.00 1.00 C ATOM 1009 O LYS A 68 -16.133 4.212 -5.096 1.00 1.00 O ATOM 1010 CB LYS A 68 -17.387 7.094 -3.807 1.00 1.00 C ATOM 1011 CG LYS A 68 -18.189 7.610 -2.585 1.00 1.00 C ATOM 1012 CD LYS A 68 -17.451 8.778 -1.916 1.00 1.00 C ATOM 1013 CE LYS A 68 -18.273 9.283 -0.733 1.00 1.00 C ATOM 1014 NZ LYS A 68 -17.560 10.415 -0.077 1.00 1.00 N ATOM 0 H LYS A 68 -15.474 7.261 -2.256 1.00 1.00 H new ATOM 0 HA LYS A 68 -17.189 5.116 -2.988 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -16.744 7.887 -4.188 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -18.072 6.824 -4.611 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -19.181 7.932 -2.902 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -18.331 6.802 -1.867 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -16.466 8.455 -1.578 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -17.293 9.583 -2.634 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -19.257 9.607 -1.073 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -18.433 8.477 -0.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -18.121 10.758 0.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -16.631 10.091 0.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -17.430 11.187 -0.762 1.00 1.00 H new ATOM 1028 N THR A 69 -14.933 6.118 -5.222 1.00 1.00 N ATOM 1029 CA THR A 69 -14.210 5.711 -6.435 1.00 1.00 C ATOM 1030 C THR A 69 -12.737 5.438 -6.132 1.00 1.00 C ATOM 1031 O THR A 69 -11.964 5.142 -7.039 1.00 1.00 O ATOM 1032 CB THR A 69 -14.313 6.818 -7.500 1.00 1.00 C ATOM 1033 OG1 THR A 69 -13.136 6.821 -8.295 1.00 1.00 O ATOM 1034 CG2 THR A 69 -14.468 8.184 -6.823 1.00 1.00 C ATOM 0 H THR A 69 -14.679 7.040 -4.868 1.00 1.00 H new ATOM 0 HA THR A 69 -14.665 4.793 -6.808 1.00 1.00 H new ATOM 0 HB THR A 69 -15.183 6.627 -8.128 1.00 1.00 H new ATOM 0 HG1 THR A 69 -12.788 5.908 -8.368 1.00 1.00 H new ATOM 0 HG21 THR A 69 -14.540 8.961 -7.584 1.00 1.00 H new ATOM 0 HG22 THR A 69 -15.372 8.188 -6.214 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.602 8.376 -6.189 1.00 1.00 H new ATOM 1042 N CYS A 70 -12.368 5.557 -4.862 1.00 1.00 N ATOM 1043 CA CYS A 70 -10.986 5.333 -4.433 1.00 1.00 C ATOM 1044 C CYS A 70 -10.006 6.207 -5.233 1.00 1.00 C ATOM 1045 O CYS A 70 -9.140 5.721 -5.962 1.00 1.00 O ATOM 1046 CB CYS A 70 -10.642 3.835 -4.536 1.00 1.00 C ATOM 1047 SG CYS A 70 -10.183 3.371 -6.228 1.00 1.00 S ATOM 0 H CYS A 70 -13.006 5.808 -4.107 1.00 1.00 H new ATOM 0 HA CYS A 70 -10.887 5.631 -3.389 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -9.820 3.602 -3.859 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -11.498 3.241 -4.215 1.00 1.00 H new ATOM 1052 N THR A 71 -10.139 7.517 -5.059 1.00 1.00 N ATOM 1053 CA THR A 71 -9.268 8.477 -5.732 1.00 1.00 C ATOM 1054 C THR A 71 -9.115 9.718 -4.864 1.00 1.00 C ATOM 1055 O THR A 71 -10.025 10.074 -4.114 1.00 1.00 O ATOM 1056 CB THR A 71 -9.853 8.865 -7.093 1.00 1.00 C ATOM 1057 OG1 THR A 71 -8.901 9.637 -7.808 1.00 1.00 O ATOM 1058 CG2 THR A 71 -11.131 9.684 -6.896 1.00 1.00 C ATOM 0 H THR A 71 -10.844 7.941 -4.456 1.00 1.00 H new ATOM 0 HA THR A 71 -8.291 8.019 -5.890 1.00 1.00 H new ATOM 0 HB THR A 71 -10.091 7.962 -7.655 1.00 1.00 H new ATOM 0 HG1 THR A 71 -9.271 9.886 -8.681 1.00 1.00 H new ATOM 0 HG21 THR A 71 -11.542 9.957 -7.868 1.00 1.00 H new ATOM 0 HG22 THR A 71 -11.862 9.091 -6.346 1.00 1.00 H new ATOM 0 HG23 THR A 71 -10.900 10.588 -6.333 1.00 1.00 H new ATOM 1066 N TYR A 72 -7.976 10.389 -4.975 1.00 1.00 N ATOM 1067 CA TYR A 72 -7.744 11.594 -4.190 1.00 1.00 C ATOM 1068 C TYR A 72 -8.385 12.802 -4.856 1.00 1.00 C ATOM 1069 O TYR A 72 -8.418 12.918 -6.080 1.00 1.00 O ATOM 1070 CB TYR A 72 -6.236 11.836 -4.009 1.00 1.00 C ATOM 1071 CG TYR A 72 -5.759 11.296 -2.677 1.00 1.00 C ATOM 1072 CD1 TYR A 72 -5.875 12.095 -1.534 1.00 1.00 C ATOM 1073 CD2 TYR A 72 -5.197 10.017 -2.584 1.00 1.00 C ATOM 1074 CE1 TYR A 72 -5.432 11.618 -0.296 1.00 1.00 C ATOM 1075 CE2 TYR A 72 -4.752 9.539 -1.345 1.00 1.00 C ATOM 1076 CZ TYR A 72 -4.868 10.340 -0.201 1.00 1.00 C ATOM 1077 OH TYR A 72 -4.430 9.869 1.021 1.00 1.00 O ATOM 0 H TYR A 72 -7.208 10.124 -5.592 1.00 1.00 H new ATOM 0 HA TYR A 72 -8.200 11.452 -3.210 1.00 1.00 H new ATOM 0 HB2 TYR A 72 -5.687 11.356 -4.819 1.00 1.00 H new ATOM 0 HB3 TYR A 72 -6.025 12.904 -4.070 1.00 1.00 H new ATOM 0 HD1 TYR A 72 -6.307 13.082 -1.608 1.00 1.00 H new ATOM 0 HD2 TYR A 72 -5.107 9.400 -3.466 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -5.525 12.235 0.586 1.00 1.00 H new ATOM 0 HE2 TYR A 72 -4.319 8.552 -1.271 1.00 1.00 H new ATOM 0 HH TYR A 72 -4.067 8.965 0.912 1.00 1.00 H new ATOM 1087 N THR A 73 -8.858 13.710 -4.017 1.00 1.00 N ATOM 1088 CA THR A 73 -9.474 14.945 -4.475 1.00 1.00 C ATOM 1089 C THR A 73 -8.987 16.074 -3.586 1.00 1.00 C ATOM 1090 O THR A 73 -8.589 15.836 -2.447 1.00 1.00 O ATOM 1091 CB THR A 73 -11.003 14.837 -4.401 1.00 1.00 C ATOM 1092 OG1 THR A 73 -11.577 16.110 -4.653 1.00 1.00 O ATOM 1093 CG2 THR A 73 -11.430 14.349 -3.013 1.00 1.00 C ATOM 0 H THR A 73 -8.826 13.612 -3.002 1.00 1.00 H new ATOM 0 HA THR A 73 -9.199 15.137 -5.512 1.00 1.00 H new ATOM 0 HB THR A 73 -11.347 14.123 -5.149 1.00 1.00 H new ATOM 0 HG1 THR A 73 -12.554 16.043 -4.608 1.00 1.00 H new ATOM 0 HG21 THR A 73 -12.517 14.276 -2.971 1.00 1.00 H new ATOM 0 HG22 THR A 73 -10.993 13.369 -2.821 1.00 1.00 H new ATOM 0 HG23 THR A 73 -11.085 15.054 -2.257 1.00 1.00 H new ATOM 1101 N VAL A 74 -9.019 17.302 -4.087 1.00 1.00 N ATOM 1102 CA VAL A 74 -8.579 18.445 -3.297 1.00 1.00 C ATOM 1103 C VAL A 74 -9.619 19.546 -3.390 1.00 1.00 C ATOM 1104 O VAL A 74 -9.991 19.967 -4.485 1.00 1.00 O ATOM 1105 CB VAL A 74 -7.242 18.967 -3.821 1.00 1.00 C ATOM 1106 CG1 VAL A 74 -6.661 19.968 -2.820 1.00 1.00 C ATOM 1107 CG2 VAL A 74 -6.274 17.796 -4.010 1.00 1.00 C ATOM 0 H VAL A 74 -9.342 17.531 -5.027 1.00 1.00 H new ATOM 0 HA VAL A 74 -8.456 18.135 -2.259 1.00 1.00 H new ATOM 0 HB VAL A 74 -7.392 19.463 -4.780 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -5.707 20.342 -3.192 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -7.353 20.801 -2.695 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -6.508 19.475 -1.860 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -5.320 18.169 -4.384 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -6.118 17.295 -3.055 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -6.693 17.089 -4.726 1.00 1.00 H new ATOM 1117 N VAL A 75 -10.085 20.012 -2.237 1.00 1.00 N ATOM 1118 CA VAL A 75 -11.087 21.074 -2.199 1.00 1.00 C ATOM 1119 C VAL A 75 -10.651 22.177 -1.262 1.00 1.00 C ATOM 1120 O VAL A 75 -9.821 21.968 -0.378 1.00 1.00 O ATOM 1121 CB VAL A 75 -12.437 20.522 -1.743 1.00 1.00 C ATOM 1122 CG1 VAL A 75 -12.944 19.502 -2.762 1.00 1.00 C ATOM 1123 CG2 VAL A 75 -12.291 19.847 -0.379 1.00 1.00 C ATOM 0 H VAL A 75 -9.788 19.675 -1.321 1.00 1.00 H new ATOM 0 HA VAL A 75 -11.190 21.479 -3.206 1.00 1.00 H new ATOM 0 HB VAL A 75 -13.148 21.344 -1.663 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -13.907 19.109 -2.435 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -13.059 19.984 -3.733 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -12.228 18.684 -2.845 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -13.258 19.456 -0.061 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -11.575 19.028 -0.453 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -11.936 20.575 0.351 1.00 1.00 H new ATOM 1133 N GLU A 76 -11.209 23.359 -1.469 1.00 1.00 N ATOM 1134 CA GLU A 76 -10.862 24.496 -0.644 1.00 1.00 C ATOM 1135 C GLU A 76 -11.414 24.311 0.760 1.00 1.00 C ATOM 1136 O GLU A 76 -12.624 24.231 0.953 1.00 1.00 O ATOM 1137 CB GLU A 76 -11.439 25.772 -1.258 1.00 1.00 C ATOM 1138 CG GLU A 76 -10.920 25.929 -2.688 1.00 1.00 C ATOM 1139 CD GLU A 76 -11.457 27.219 -3.300 1.00 1.00 C ATOM 1140 OE1 GLU A 76 -12.637 27.484 -3.131 1.00 1.00 O ATOM 1141 OE2 GLU A 76 -10.684 27.922 -3.927 1.00 1.00 O ATOM 0 H GLU A 76 -11.898 23.552 -2.196 1.00 1.00 H new ATOM 0 HA GLU A 76 -9.776 24.577 -0.591 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -12.528 25.728 -1.258 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -11.155 26.637 -0.659 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -9.830 25.943 -2.688 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -11.228 25.075 -3.291 1.00 1.00 H new ATOM 1148 N LYS A 77 -10.528 24.252 1.742 1.00 1.00 N ATOM 1149 CA LYS A 77 -10.976 24.087 3.120 1.00 1.00 C ATOM 1150 C LYS A 77 -12.070 25.118 3.408 1.00 1.00 C ATOM 1151 O LYS A 77 -12.984 24.869 4.195 1.00 1.00 O ATOM 1152 CB LYS A 77 -9.800 24.247 4.108 1.00 1.00 C ATOM 1153 CG LYS A 77 -8.725 25.164 3.508 1.00 1.00 C ATOM 1154 CD LYS A 77 -7.594 25.402 4.526 1.00 1.00 C ATOM 1155 CE LYS A 77 -7.932 26.579 5.444 1.00 1.00 C ATOM 1156 NZ LYS A 77 -8.014 27.835 4.646 1.00 1.00 N ATOM 0 H LYS A 77 -9.517 24.314 1.619 1.00 1.00 H new ATOM 0 HA LYS A 77 -11.376 23.082 3.252 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -10.160 24.663 5.049 1.00 1.00 H new ATOM 0 HB3 LYS A 77 -9.371 23.271 4.335 1.00 1.00 H new ATOM 0 HG2 LYS A 77 -8.319 24.714 2.602 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -9.170 26.116 3.220 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -7.439 24.502 5.122 1.00 1.00 H new ATOM 0 HD3 LYS A 77 -6.660 25.601 4.000 1.00 1.00 H new ATOM 0 HE2 LYS A 77 -8.880 26.397 5.950 1.00 1.00 H new ATOM 0 HE3 LYS A 77 -7.171 26.678 6.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 -8.514 28.563 5.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 -7.054 28.168 4.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 -8.531 27.652 3.762 1.00 1.00 H new ATOM 1170 N LYS A 78 -11.974 26.266 2.738 1.00 1.00 N ATOM 1171 CA LYS A 78 -12.962 27.330 2.893 1.00 1.00 C ATOM 1172 C LYS A 78 -14.202 27.005 2.070 1.00 1.00 C ATOM 1173 O LYS A 78 -15.304 27.461 2.368 1.00 1.00 O ATOM 1174 CB LYS A 78 -12.379 28.656 2.407 1.00 1.00 C ATOM 1175 CG LYS A 78 -11.194 29.038 3.284 1.00 1.00 C ATOM 1176 CD LYS A 78 -10.595 30.356 2.786 1.00 1.00 C ATOM 1177 CE LYS A 78 -9.413 30.752 3.672 1.00 1.00 C ATOM 1178 NZ LYS A 78 -8.819 32.025 3.171 1.00 1.00 N ATOM 0 H LYS A 78 -11.222 26.482 2.083 1.00 1.00 H new ATOM 0 HA LYS A 78 -13.229 27.411 3.947 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -12.063 28.568 1.368 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -13.140 29.436 2.444 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -11.513 29.140 4.321 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -10.440 28.251 3.259 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -10.267 30.250 1.752 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -11.352 31.140 2.802 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -9.743 30.874 4.704 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -8.662 29.962 3.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -8.015 32.294 3.774 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -8.490 31.893 2.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -9.537 32.777 3.196 1.00 1.00 H new ATOM 1192 N ASP A 79 -13.995 26.206 1.024 1.00 1.00 N ATOM 1193 CA ASP A 79 -15.080 25.794 0.124 1.00 1.00 C ATOM 1194 C ASP A 79 -14.977 24.282 -0.160 1.00 1.00 C ATOM 1195 O ASP A 79 -14.221 23.875 -1.045 1.00 1.00 O ATOM 1196 CB ASP A 79 -14.978 26.600 -1.203 1.00 1.00 C ATOM 1197 CG ASP A 79 -16.292 27.328 -1.514 1.00 1.00 C ATOM 1198 OD1 ASP A 79 -16.485 28.413 -0.988 1.00 1.00 O ATOM 1199 OD2 ASP A 79 -17.081 26.789 -2.272 1.00 1.00 O ATOM 0 H ASP A 79 -13.081 25.827 0.775 1.00 1.00 H new ATOM 0 HA ASP A 79 -16.043 25.995 0.593 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -14.167 27.324 -1.130 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -14.730 25.926 -2.023 1.00 1.00 H new ATOM 1204 N PRO A 80 -15.688 23.440 0.562 1.00 1.00 N ATOM 1205 CA PRO A 80 -15.615 21.969 0.336 1.00 1.00 C ATOM 1206 C PRO A 80 -16.370 21.559 -0.923 1.00 1.00 C ATOM 1207 O PRO A 80 -16.275 20.418 -1.379 1.00 1.00 O ATOM 1208 CB PRO A 80 -16.244 21.373 1.602 1.00 1.00 C ATOM 1209 CG PRO A 80 -17.201 22.414 2.093 1.00 1.00 C ATOM 1210 CD PRO A 80 -16.633 23.774 1.656 1.00 1.00 C ATOM 0 HA PRO A 80 -14.596 21.617 0.175 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -16.758 20.437 1.383 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -15.485 21.151 2.352 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -18.194 22.256 1.673 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -17.302 22.367 3.177 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -17.422 24.442 1.311 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -16.127 24.277 2.480 1.00 1.00 H new ATOM 1218 N GLY A 81 -17.133 22.499 -1.470 1.00 1.00 N ATOM 1219 CA GLY A 81 -17.927 22.243 -2.669 1.00 1.00 C ATOM 1220 C GLY A 81 -17.180 22.647 -3.940 1.00 1.00 C ATOM 1221 O GLY A 81 -17.745 22.595 -5.032 1.00 1.00 O ATOM 0 H GLY A 81 -17.219 23.447 -1.103 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -18.181 21.184 -2.718 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -18.866 22.794 -2.608 1.00 1.00 H new ATOM 1225 N LYS A 82 -15.912 23.049 -3.802 1.00 1.00 N ATOM 1226 CA LYS A 82 -15.114 23.454 -4.953 1.00 1.00 C ATOM 1227 C LYS A 82 -13.732 22.810 -4.895 1.00 1.00 C ATOM 1228 O LYS A 82 -13.258 22.425 -3.828 1.00 1.00 O ATOM 1229 CB LYS A 82 -14.978 24.974 -4.990 1.00 1.00 C ATOM 1230 CG LYS A 82 -14.378 25.387 -6.326 1.00 1.00 C ATOM 1231 CD LYS A 82 -14.367 26.907 -6.447 1.00 1.00 C ATOM 1232 CE LYS A 82 -13.777 27.289 -7.801 1.00 1.00 C ATOM 1233 NZ LYS A 82 -13.807 28.770 -7.955 1.00 1.00 N ATOM 0 H LYS A 82 -15.423 23.101 -2.908 1.00 1.00 H new ATOM 0 HA LYS A 82 -15.619 23.120 -5.859 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -15.953 25.442 -4.855 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -14.344 25.315 -4.171 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -13.363 25.000 -6.413 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -14.955 24.953 -7.143 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -15.379 27.300 -6.352 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -13.778 27.345 -5.642 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -12.752 26.925 -7.879 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -14.345 26.818 -8.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -13.405 29.031 -8.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -14.790 29.105 -7.898 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -13.247 29.209 -7.197 1.00 1.00 H new ATOM 1247 N THR A 83 -13.112 22.677 -6.065 1.00 1.00 N ATOM 1248 CA THR A 83 -11.793 22.055 -6.182 1.00 1.00 C ATOM 1249 C THR A 83 -10.674 23.075 -6.003 1.00 1.00 C ATOM 1250 O THR A 83 -10.906 24.283 -6.043 1.00 1.00 O ATOM 1251 CB THR A 83 -11.652 21.400 -7.557 1.00 1.00 C ATOM 1252 OG1 THR A 83 -11.695 22.402 -8.564 1.00 1.00 O ATOM 1253 CG2 THR A 83 -12.795 20.409 -7.772 1.00 1.00 C ATOM 0 H THR A 83 -13.504 22.994 -6.952 1.00 1.00 H new ATOM 0 HA THR A 83 -11.708 21.307 -5.394 1.00 1.00 H new ATOM 0 HB THR A 83 -10.701 20.870 -7.611 1.00 1.00 H new ATOM 0 HG1 THR A 83 -11.603 21.984 -9.446 1.00 1.00 H new ATOM 0 HG21 THR A 83 -12.693 19.943 -8.752 1.00 1.00 H new ATOM 0 HG22 THR A 83 -12.760 19.641 -7.000 1.00 1.00 H new ATOM 0 HG23 THR A 83 -13.748 20.935 -7.718 1.00 1.00 H new ATOM 1261 N CYS A 84 -9.453 22.568 -5.822 1.00 1.00 N ATOM 1262 CA CYS A 84 -8.275 23.425 -5.651 1.00 1.00 C ATOM 1263 C CYS A 84 -7.462 23.480 -6.941 1.00 1.00 C ATOM 1264 O CYS A 84 -7.998 23.753 -8.015 1.00 1.00 O ATOM 1265 CB CYS A 84 -7.406 22.908 -4.491 1.00 1.00 C ATOM 1266 SG CYS A 84 -6.354 24.252 -3.893 1.00 1.00 S ATOM 0 H CYS A 84 -9.253 21.568 -5.790 1.00 1.00 H new ATOM 0 HA CYS A 84 -8.611 24.434 -5.413 1.00 1.00 H new ATOM 0 HB2 CYS A 84 -8.038 22.538 -3.684 1.00 1.00 H new ATOM 0 HB3 CYS A 84 -6.793 22.071 -4.825 1.00 1.00 H new ATOM 1271 N ASP A 85 -6.173 23.210 -6.828 1.00 1.00 N ATOM 1272 CA ASP A 85 -5.278 23.212 -7.979 1.00 1.00 C ATOM 1273 C ASP A 85 -4.140 22.240 -7.721 1.00 1.00 C ATOM 1274 O ASP A 85 -3.570 22.241 -6.635 1.00 1.00 O ATOM 1275 CB ASP A 85 -4.703 24.611 -8.193 1.00 1.00 C ATOM 1276 CG ASP A 85 -5.808 25.575 -8.608 1.00 1.00 C ATOM 1277 OD1 ASP A 85 -6.631 25.185 -9.422 1.00 1.00 O ATOM 1278 OD2 ASP A 85 -5.820 26.686 -8.106 1.00 1.00 O ATOM 0 H ASP A 85 -5.717 22.984 -5.944 1.00 1.00 H new ATOM 0 HA ASP A 85 -5.834 22.914 -8.868 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -4.229 24.962 -7.276 1.00 1.00 H new ATOM 0 HB3 ASP A 85 -3.929 24.581 -8.960 1.00 1.00 H new ATOM 1283 N VAL A 86 -3.798 21.402 -8.702 1.00 1.00 N ATOM 1284 CA VAL A 86 -2.713 20.440 -8.526 1.00 1.00 C ATOM 1285 C VAL A 86 -1.743 20.557 -9.689 1.00 1.00 C ATOM 1286 O VAL A 86 -2.152 20.765 -10.833 1.00 1.00 O ATOM 1287 CB VAL A 86 -3.279 19.023 -8.461 1.00 1.00 C ATOM 1288 CG1 VAL A 86 -4.298 18.949 -7.325 1.00 1.00 C ATOM 1289 CG2 VAL A 86 -3.963 18.682 -9.783 1.00 1.00 C ATOM 0 H VAL A 86 -4.251 21.371 -9.615 1.00 1.00 H new ATOM 0 HA VAL A 86 -2.189 20.652 -7.594 1.00 1.00 H new ATOM 0 HB VAL A 86 -2.472 18.312 -8.282 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -4.709 17.941 -7.270 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -3.810 19.194 -6.382 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -5.104 19.659 -7.512 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -4.366 17.670 -9.734 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -4.774 19.387 -9.966 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -3.238 18.745 -10.595 1.00 1.00 H new ATOM 1299 N THR A 87 -0.453 20.441 -9.395 1.00 1.00 N ATOM 1300 CA THR A 87 0.573 20.552 -10.432 1.00 1.00 C ATOM 1301 C THR A 87 1.066 19.174 -10.858 1.00 1.00 C ATOM 1302 O THR A 87 1.846 19.052 -11.802 1.00 1.00 O ATOM 1303 CB THR A 87 1.752 21.378 -9.913 1.00 1.00 C ATOM 1304 OG1 THR A 87 2.659 21.618 -10.980 1.00 1.00 O ATOM 1305 CG2 THR A 87 2.463 20.615 -8.793 1.00 1.00 C ATOM 0 H THR A 87 -0.092 20.272 -8.456 1.00 1.00 H new ATOM 0 HA THR A 87 0.131 21.047 -11.297 1.00 1.00 H new ATOM 0 HB THR A 87 1.389 22.328 -9.521 1.00 1.00 H new ATOM 0 HG1 THR A 87 2.601 20.887 -11.630 1.00 1.00 H new ATOM 0 HG21 THR A 87 3.302 21.206 -8.426 1.00 1.00 H new ATOM 0 HG22 THR A 87 1.764 20.431 -7.977 1.00 1.00 H new ATOM 0 HG23 THR A 87 2.830 19.663 -9.177 1.00 1.00 H new ATOM 1313 N GLY A 88 0.591 18.132 -10.173 1.00 1.00 N ATOM 1314 CA GLY A 88 0.986 16.764 -10.516 1.00 1.00 C ATOM 1315 C GLY A 88 1.123 15.881 -9.289 1.00 1.00 C ATOM 1316 O GLY A 88 1.828 16.212 -8.339 1.00 1.00 O ATOM 0 H GLY A 88 -0.058 18.206 -9.389 1.00 1.00 H new ATOM 0 HA2 GLY A 88 0.247 16.333 -11.191 1.00 1.00 H new ATOM 0 HA3 GLY A 88 1.934 16.786 -11.054 1.00 1.00 H new ATOM 1320 N TRP A 89 0.424 14.764 -9.318 1.00 1.00 N ATOM 1321 CA TRP A 89 0.434 13.826 -8.199 1.00 1.00 C ATOM 1322 C TRP A 89 1.717 13.001 -8.166 1.00 1.00 C ATOM 1323 O TRP A 89 2.602 13.145 -9.010 1.00 1.00 O ATOM 1324 CB TRP A 89 -0.811 12.894 -8.255 1.00 1.00 C ATOM 1325 CG TRP A 89 -1.661 13.230 -9.442 1.00 1.00 C ATOM 1326 CD1 TRP A 89 -2.501 14.287 -9.529 1.00 1.00 C ATOM 1327 CD2 TRP A 89 -1.766 12.517 -10.707 1.00 1.00 C ATOM 1328 NE1 TRP A 89 -3.113 14.269 -10.771 1.00 1.00 N ATOM 1329 CE2 TRP A 89 -2.693 13.194 -11.532 1.00 1.00 C ATOM 1330 CE3 TRP A 89 -1.150 11.358 -11.209 1.00 1.00 C ATOM 1331 CZ2 TRP A 89 -2.999 12.737 -12.815 1.00 1.00 C ATOM 1332 CZ3 TRP A 89 -1.456 10.894 -12.499 1.00 1.00 C ATOM 1333 CH2 TRP A 89 -2.378 11.582 -13.300 1.00 1.00 C ATOM 0 H TRP A 89 -0.161 14.478 -10.103 1.00 1.00 H new ATOM 0 HA TRP A 89 0.394 14.411 -7.280 1.00 1.00 H new ATOM 0 HB2 TRP A 89 -0.492 11.853 -8.311 1.00 1.00 H new ATOM 0 HB3 TRP A 89 -1.394 13.000 -7.340 1.00 1.00 H new ATOM 0 HD1 TRP A 89 -2.667 15.024 -8.757 1.00 1.00 H new ATOM 0 HE1 TRP A 89 -3.790 14.964 -11.086 1.00 1.00 H new ATOM 0 HE3 TRP A 89 -0.438 10.821 -10.600 1.00 1.00 H new ATOM 0 HZ2 TRP A 89 -3.710 13.271 -13.428 1.00 1.00 H new ATOM 0 HZ3 TRP A 89 -0.978 10.002 -12.876 1.00 1.00 H new ATOM 0 HH2 TRP A 89 -2.609 11.220 -14.291 1.00 1.00 H new ATOM 1344 N VAL A 90 1.771 12.122 -7.174 1.00 1.00 N ATOM 1345 CA VAL A 90 2.899 11.229 -6.976 1.00 1.00 C ATOM 1346 C VAL A 90 2.424 9.903 -6.380 1.00 1.00 C ATOM 1347 O VAL A 90 1.397 9.846 -5.704 1.00 1.00 O ATOM 1348 CB VAL A 90 3.935 11.898 -6.051 1.00 1.00 C ATOM 1349 CG1 VAL A 90 4.924 12.734 -6.872 1.00 1.00 C ATOM 1350 CG2 VAL A 90 3.217 12.820 -5.057 1.00 1.00 C ATOM 0 H VAL A 90 1.029 12.010 -6.483 1.00 1.00 H new ATOM 0 HA VAL A 90 3.367 11.024 -7.939 1.00 1.00 H new ATOM 0 HB VAL A 90 4.477 11.118 -5.517 1.00 1.00 H new ATOM 0 HG11 VAL A 90 5.649 13.200 -6.204 1.00 1.00 H new ATOM 0 HG12 VAL A 90 5.445 12.090 -7.580 1.00 1.00 H new ATOM 0 HG13 VAL A 90 4.382 13.508 -7.416 1.00 1.00 H new ATOM 0 HG21 VAL A 90 3.951 13.292 -4.404 1.00 1.00 H new ATOM 0 HG22 VAL A 90 2.670 13.588 -5.603 1.00 1.00 H new ATOM 0 HG23 VAL A 90 2.520 12.235 -4.457 1.00 1.00 H new ATOM 1360 N LEU A 91 3.191 8.843 -6.628 1.00 1.00 N ATOM 1361 CA LEU A 91 2.864 7.513 -6.114 1.00 1.00 C ATOM 1362 C LEU A 91 4.152 6.752 -5.800 1.00 1.00 C ATOM 1363 O LEU A 91 4.406 6.513 -4.630 1.00 1.00 O ATOM 1364 CB LEU A 91 2.039 6.739 -7.158 1.00 1.00 C ATOM 1365 CG LEU A 91 1.216 5.633 -6.479 1.00 1.00 C ATOM 1366 CD1 LEU A 91 0.451 4.845 -7.545 1.00 1.00 C ATOM 1367 CD2 LEU A 91 2.141 4.681 -5.711 1.00 1.00 C ATOM 1368 OXT LEU A 91 4.864 6.421 -6.733 1.00 1.00 O ATOM 0 H LEU A 91 4.046 8.879 -7.183 1.00 1.00 H new ATOM 0 HA LEU A 91 2.277 7.614 -5.201 1.00 1.00 H new ATOM 0 HB2 LEU A 91 1.375 7.423 -7.686 1.00 1.00 H new ATOM 0 HB3 LEU A 91 2.703 6.301 -7.903 1.00 1.00 H new ATOM 0 HG LEU A 91 0.515 6.089 -5.780 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.134 4.059 -7.067 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -0.216 5.517 -8.085 1.00 1.00 H new ATOM 0 HD13 LEU A 91 1.158 4.397 -8.243 1.00 1.00 H new ATOM 0 HD21 LEU A 91 1.546 3.902 -5.234 1.00 1.00 H new ATOM 0 HD22 LEU A 91 2.849 4.225 -6.403 1.00 1.00 H new ATOM 0 HD23 LEU A 91 2.686 5.239 -4.949 1.00 1.00 H new