USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 785 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 76 SER OG : rot 180:sc= 0.543 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 152:sc= 0.591 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.912 (180deg=0.625) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= -0.419 (180deg=-0.811) USER MOD Single : A 8 GLN : amide:sc= 0.0167 K(o=0.017,f=-4.1!) USER MOD Single : A 11 ASN : amide:sc= 0.812 K(o=0.81,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 0.363 (180deg=-1.23!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 18:sc= -0.811! USER MOD Single : A 28 TYR OH : rot -36:sc= 0.00332 USER MOD Single : A 33 ASN : amide:sc=-0.00861 K(o=-0.0086,f=-0.84) USER MOD Single : A 34 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0157 F(o=-0.89!,f=-0.016) USER MOD Single : A 40 HIS : no HE2:sc= -0.16 X(o=-0.16,f=-0.047) USER MOD Single : A 41 THR OG1 : rot -120:sc= -0.223 USER MOD Single : A 44 SER OG : rot 94:sc= 1.21 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0155 F(o=-1.1,f=-0.015) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 1.08 (180deg=0.857) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.02) USER MOD Single : A 63 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0239 F(o=-1.9!,f=-0.024) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0783 F(o=-2.1!,f=-0.078) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.0815 (180deg=-0.431) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 110:sc= -2.4! USER MOD Single : A 80 HIS : no HE2:sc= 0.891 K(o=0.89,f=-6.3!) USER MOD Single : A 81 MET CE :methyl -159:sc= -0.171 (180deg=-0.877) USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0128) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 82:sc= -1.62! USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 50:sc= 0.216 USER MOD Single : A 97 HIS : no HE2:sc= 0.715 K(o=0.72,f=-2.5!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=0) USER MOD Single : A 100 HIS : no HD1:sc=-0.000782 X(o=-0.00078,f=-0.011) USER MOD Single : A 101 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.248 0.972 -5.985 1.00 0.00 N ATOM 2 CA MET A 1 23.346 2.379 -6.435 1.00 0.00 C ATOM 3 C MET A 1 22.663 3.285 -5.412 1.00 0.00 C ATOM 4 O MET A 1 21.580 3.827 -5.666 1.00 0.00 O ATOM 5 CB MET A 1 22.699 2.541 -7.817 1.00 0.00 C ATOM 6 CG MET A 1 23.068 3.835 -8.529 1.00 0.00 C ATOM 7 SD MET A 1 24.824 3.931 -8.920 1.00 0.00 S ATOM 8 CE MET A 1 24.884 5.464 -9.846 1.00 0.00 C ATOM 0 H1 MET A 1 23.393 0.337 -6.796 1.00 0.00 H new ATOM 0 H2 MET A 1 23.976 0.786 -5.266 1.00 0.00 H new ATOM 0 H3 MET A 1 22.307 0.803 -5.577 1.00 0.00 H new ATOM 0 HA MET A 1 24.396 2.662 -6.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.991 1.698 -8.444 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.616 2.496 -7.706 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.489 3.917 -9.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.792 4.683 -7.902 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.910 5.661 -10.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.246 5.383 -10.726 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.533 6.283 -9.218 1.00 0.00 H new ATOM 20 N SER A 2 23.302 3.426 -4.250 1.00 0.00 N ATOM 21 CA SER A 2 22.745 4.147 -3.107 1.00 0.00 C ATOM 22 C SER A 2 21.519 3.421 -2.548 1.00 0.00 C ATOM 23 O SER A 2 21.630 2.644 -1.601 1.00 0.00 O ATOM 24 CB SER A 2 22.393 5.590 -3.481 1.00 0.00 C ATOM 25 OG SER A 2 23.500 6.248 -4.074 1.00 0.00 O ATOM 0 H SER A 2 24.229 3.039 -4.075 1.00 0.00 H new ATOM 0 HA SER A 2 23.509 4.177 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.550 5.595 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.078 6.133 -2.590 1.00 0.00 H new ATOM 0 HG SER A 2 23.249 7.167 -4.305 1.00 0.00 H new ATOM 31 N ASN A 3 20.362 3.653 -3.155 1.00 0.00 N ATOM 32 CA ASN A 3 19.114 3.049 -2.699 1.00 0.00 C ATOM 33 C ASN A 3 18.077 3.060 -3.813 1.00 0.00 C ATOM 34 O ASN A 3 16.879 3.004 -3.554 1.00 0.00 O ATOM 35 CB ASN A 3 18.562 3.789 -1.473 1.00 0.00 C ATOM 36 CG ASN A 3 18.438 5.291 -1.676 1.00 0.00 C ATOM 37 OD1 ASN A 3 17.458 5.786 -2.236 1.00 0.00 O ATOM 38 ND2 ASN A 3 19.419 6.032 -1.184 1.00 0.00 N ATOM 0 H ASN A 3 20.261 4.259 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 3 19.326 2.017 -2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.582 3.382 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.213 3.598 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 3 19.379 7.048 -1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.215 5.587 -0.727 1.00 0.00 H new ATOM 45 N LEU A 4 18.548 3.087 -5.054 1.00 0.00 N ATOM 46 CA LEU A 4 17.658 3.202 -6.204 1.00 0.00 C ATOM 47 C LEU A 4 17.146 1.833 -6.637 1.00 0.00 C ATOM 48 O LEU A 4 16.339 1.722 -7.561 1.00 0.00 O ATOM 49 CB LEU A 4 18.376 3.878 -7.372 1.00 0.00 C ATOM 50 CG LEU A 4 18.825 5.316 -7.118 1.00 0.00 C ATOM 51 CD1 LEU A 4 19.549 5.864 -8.335 1.00 0.00 C ATOM 52 CD2 LEU A 4 17.634 6.193 -6.767 1.00 0.00 C ATOM 0 H LEU A 4 19.539 3.031 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 4 16.806 3.814 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.251 3.282 -7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.714 3.869 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 4 19.514 5.320 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 4 19.863 6.889 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.425 5.250 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 4 18.879 5.847 -9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 4 17.973 7.213 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.921 6.186 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 4 17.152 5.809 -5.868 1.00 0.00 H new ATOM 64 N GLU A 5 17.625 0.793 -5.972 1.00 0.00 N ATOM 65 CA GLU A 5 17.219 -0.566 -6.294 1.00 0.00 C ATOM 66 C GLU A 5 15.842 -0.854 -5.709 1.00 0.00 C ATOM 67 O GLU A 5 15.677 -0.895 -4.489 1.00 0.00 O ATOM 68 CB GLU A 5 18.221 -1.597 -5.760 1.00 0.00 C ATOM 69 CG GLU A 5 19.678 -1.295 -6.082 1.00 0.00 C ATOM 70 CD GLU A 5 20.283 -0.276 -5.138 1.00 0.00 C ATOM 71 OE1 GLU A 5 20.424 -0.587 -3.939 1.00 0.00 O ATOM 72 OE2 GLU A 5 20.635 0.829 -5.591 1.00 0.00 O ATOM 0 H GLU A 5 18.295 0.864 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 5 17.186 -0.649 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.109 -1.666 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.968 -2.575 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.256 -2.218 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.751 -0.926 -7.105 1.00 0.00 H new ATOM 79 N ILE A 6 14.859 -1.036 -6.583 1.00 0.00 N ATOM 80 CA ILE A 6 13.505 -1.364 -6.153 1.00 0.00 C ATOM 81 C ILE A 6 13.495 -2.684 -5.393 1.00 0.00 C ATOM 82 O ILE A 6 13.793 -3.740 -5.955 1.00 0.00 O ATOM 83 CB ILE A 6 12.531 -1.462 -7.351 1.00 0.00 C ATOM 84 CG1 ILE A 6 12.548 -0.159 -8.157 1.00 0.00 C ATOM 85 CG2 ILE A 6 11.119 -1.769 -6.864 1.00 0.00 C ATOM 86 CD1 ILE A 6 11.673 -0.186 -9.393 1.00 0.00 C ATOM 0 H ILE A 6 14.974 -0.962 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 6 13.170 -0.558 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 6 12.857 -2.275 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.224 0.658 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 6 13.574 0.058 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.446 -1.835 -7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 6 11.118 -2.718 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.783 -0.974 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.740 0.773 -9.907 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.009 -0.980 -10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.639 -0.370 -9.103 1.00 0.00 H new ATOM 98 N LYS A 7 13.182 -2.616 -4.109 1.00 0.00 N ATOM 99 CA LYS A 7 13.125 -3.806 -3.282 1.00 0.00 C ATOM 100 C LYS A 7 11.705 -4.334 -3.185 1.00 0.00 C ATOM 101 O LYS A 7 10.740 -3.567 -3.106 1.00 0.00 O ATOM 102 CB LYS A 7 13.698 -3.525 -1.892 1.00 0.00 C ATOM 103 CG LYS A 7 15.214 -3.443 -1.872 1.00 0.00 C ATOM 104 CD LYS A 7 15.831 -4.786 -2.227 1.00 0.00 C ATOM 105 CE LYS A 7 17.348 -4.712 -2.314 1.00 0.00 C ATOM 106 NZ LYS A 7 17.799 -3.801 -3.398 1.00 0.00 N ATOM 0 H LYS A 7 12.964 -1.749 -3.619 1.00 0.00 H new ATOM 0 HA LYS A 7 13.736 -4.575 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.286 -2.587 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.375 -4.310 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.551 -2.685 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.553 -3.132 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.547 -5.525 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.430 -5.128 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.750 -4.368 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.750 -5.710 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.505 -4.286 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.984 -3.530 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.224 -2.948 -2.981 1.00 0.00 H new ATOM 120 N GLN A 8 11.591 -5.650 -3.195 1.00 0.00 N ATOM 121 CA GLN A 8 10.301 -6.314 -3.192 1.00 0.00 C ATOM 122 C GLN A 8 9.969 -6.864 -1.808 1.00 0.00 C ATOM 123 O GLN A 8 10.848 -7.334 -1.083 1.00 0.00 O ATOM 124 CB GLN A 8 10.267 -7.446 -4.233 1.00 0.00 C ATOM 125 CG GLN A 8 11.343 -8.516 -4.051 1.00 0.00 C ATOM 126 CD GLN A 8 12.726 -8.073 -4.500 1.00 0.00 C ATOM 127 OE1 GLN A 8 13.504 -7.527 -3.720 1.00 0.00 O ATOM 128 NE2 GLN A 8 13.039 -8.305 -5.765 1.00 0.00 N ATOM 0 H GLN A 8 12.388 -6.287 -3.205 1.00 0.00 H new ATOM 0 HA GLN A 8 9.547 -5.573 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.288 -7.925 -4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.372 -7.010 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.386 -8.801 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.056 -9.406 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.366 -8.761 -6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.953 -8.028 -6.123 1.00 0.00 H new ATOM 137 N GLY A 9 8.697 -6.786 -1.450 1.00 0.00 N ATOM 138 CA GLY A 9 8.230 -7.324 -0.192 1.00 0.00 C ATOM 139 C GLY A 9 6.856 -7.947 -0.335 1.00 0.00 C ATOM 140 O GLY A 9 6.376 -8.134 -1.456 1.00 0.00 O ATOM 0 H GLY A 9 7.970 -6.352 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.935 -8.072 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.196 -6.531 0.555 1.00 0.00 H new ATOM 144 N GLU A 10 6.214 -8.248 0.788 1.00 0.00 N ATOM 145 CA GLU A 10 4.901 -8.891 0.774 1.00 0.00 C ATOM 146 C GLU A 10 3.842 -7.958 0.197 1.00 0.00 C ATOM 147 O GLU A 10 3.344 -7.072 0.896 1.00 0.00 O ATOM 148 CB GLU A 10 4.489 -9.307 2.185 1.00 0.00 C ATOM 149 CG GLU A 10 5.459 -10.260 2.856 1.00 0.00 C ATOM 150 CD GLU A 10 5.037 -10.606 4.267 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.205 -11.522 4.437 1.00 0.00 O ATOM 152 OE2 GLU A 10 5.536 -9.961 5.214 1.00 0.00 O ATOM 0 H GLU A 10 6.580 -8.058 1.721 1.00 0.00 H new ATOM 0 HA GLU A 10 4.976 -9.777 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.389 -8.414 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.506 -9.776 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.534 -11.174 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.452 -9.811 2.875 1.00 0.00 H new ATOM 159 N ASN A 11 3.525 -8.153 -1.085 1.00 0.00 N ATOM 160 CA ASN A 11 2.519 -7.344 -1.779 1.00 0.00 C ATOM 161 C ASN A 11 2.878 -5.865 -1.745 1.00 0.00 C ATOM 162 O ASN A 11 2.005 -5.003 -1.812 1.00 0.00 O ATOM 163 CB ASN A 11 1.132 -7.554 -1.159 1.00 0.00 C ATOM 164 CG ASN A 11 0.449 -8.813 -1.654 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.614 -9.890 -1.082 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.332 -8.685 -2.718 1.00 0.00 N ATOM 0 H ASN A 11 3.955 -8.871 -1.668 1.00 0.00 H new ATOM 0 HA ASN A 11 2.498 -7.671 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.228 -7.601 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.504 -6.693 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.823 -9.498 -3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.442 -7.774 -3.163 1.00 0.00 H new ATOM 173 N LYS A 12 4.167 -5.573 -1.666 1.00 0.00 N ATOM 174 CA LYS A 12 4.620 -4.200 -1.543 1.00 0.00 C ATOM 175 C LYS A 12 5.981 -4.005 -2.197 1.00 0.00 C ATOM 176 O LYS A 12 6.798 -4.923 -2.247 1.00 0.00 O ATOM 177 CB LYS A 12 4.688 -3.801 -0.062 1.00 0.00 C ATOM 178 CG LYS A 12 5.666 -4.630 0.755 1.00 0.00 C ATOM 179 CD LYS A 12 5.502 -4.390 2.247 1.00 0.00 C ATOM 180 CE LYS A 12 5.844 -2.960 2.639 1.00 0.00 C ATOM 181 NZ LYS A 12 7.278 -2.643 2.409 1.00 0.00 N ATOM 0 H LYS A 12 4.914 -6.267 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 12 3.903 -3.561 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.970 -2.750 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.694 -3.894 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.515 -5.688 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.686 -4.386 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.475 -4.609 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.143 -5.079 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.225 -2.270 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.604 -2.806 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.605 -1.969 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.841 -3.516 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.393 -2.222 1.465 1.00 0.00 H new ATOM 195 N PHE A 13 6.200 -2.814 -2.716 1.00 0.00 N ATOM 196 CA PHE A 13 7.502 -2.420 -3.225 1.00 0.00 C ATOM 197 C PHE A 13 7.994 -1.229 -2.426 1.00 0.00 C ATOM 198 O PHE A 13 7.213 -0.331 -2.109 1.00 0.00 O ATOM 199 CB PHE A 13 7.435 -2.065 -4.713 1.00 0.00 C ATOM 200 CG PHE A 13 7.119 -3.235 -5.603 1.00 0.00 C ATOM 201 CD1 PHE A 13 8.055 -4.236 -5.810 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.889 -3.331 -6.235 1.00 0.00 C ATOM 203 CE1 PHE A 13 7.769 -5.314 -6.629 1.00 0.00 C ATOM 204 CE2 PHE A 13 5.599 -4.406 -7.055 1.00 0.00 C ATOM 205 CZ PHE A 13 6.540 -5.399 -7.252 1.00 0.00 C ATOM 0 H PHE A 13 5.484 -2.092 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 13 8.193 -3.257 -3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.678 -1.294 -4.859 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.390 -1.636 -5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.019 -4.174 -5.326 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.150 -2.558 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.507 -6.088 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.637 -4.470 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.314 -6.239 -7.892 1.00 0.00 H new ATOM 215 N TYR A 14 9.266 -1.227 -2.071 1.00 0.00 N ATOM 216 CA TYR A 14 9.808 -0.150 -1.265 1.00 0.00 C ATOM 217 C TYR A 14 11.187 0.268 -1.752 1.00 0.00 C ATOM 218 O TYR A 14 12.017 -0.565 -2.121 1.00 0.00 O ATOM 219 CB TYR A 14 9.849 -0.544 0.220 1.00 0.00 C ATOM 220 CG TYR A 14 10.643 -1.798 0.528 1.00 0.00 C ATOM 221 CD1 TYR A 14 10.092 -3.063 0.339 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.939 -1.717 1.021 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.811 -4.205 0.631 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.664 -2.856 1.315 1.00 0.00 C ATOM 225 CZ TYR A 14 12.094 -4.096 1.119 1.00 0.00 C ATOM 226 OH TYR A 14 12.812 -5.231 1.412 1.00 0.00 O ATOM 0 H TYR A 14 9.937 -1.952 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 14 9.145 0.708 -1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.271 0.284 0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.827 -0.684 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.086 -3.152 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.388 -0.747 1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.369 -5.179 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.671 -2.775 1.696 1.00 0.00 H new ATOM 0 HH TYR A 14 13.699 -4.980 1.745 1.00 0.00 H new ATOM 236 N ILE A 15 11.402 1.568 -1.778 1.00 0.00 N ATOM 237 CA ILE A 15 12.684 2.135 -2.144 1.00 0.00 C ATOM 238 C ILE A 15 13.225 2.951 -0.980 1.00 0.00 C ATOM 239 O ILE A 15 12.473 3.665 -0.308 1.00 0.00 O ATOM 240 CB ILE A 15 12.569 3.013 -3.412 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.267 2.138 -4.632 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.837 3.825 -3.642 1.00 0.00 C ATOM 243 CD1 ILE A 15 12.158 2.918 -5.924 1.00 0.00 C ATOM 0 H ILE A 15 10.691 2.262 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 15 13.373 1.321 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 15 11.748 3.714 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 15 13.052 1.389 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.334 1.601 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.723 4.431 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.013 4.476 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.684 3.150 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.943 2.234 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.354 3.649 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.099 3.434 -6.118 1.00 0.00 H new ATOM 255 N GLY A 16 14.513 2.819 -0.722 1.00 0.00 N ATOM 256 CA GLY A 16 15.115 3.516 0.386 1.00 0.00 C ATOM 257 C GLY A 16 16.225 2.713 1.021 1.00 0.00 C ATOM 258 O GLY A 16 16.833 1.867 0.368 1.00 0.00 O ATOM 0 H GLY A 16 15.154 2.239 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.510 4.472 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.353 3.736 1.134 1.00 0.00 H new ATOM 262 N ASP A 17 16.470 2.961 2.296 1.00 0.00 N ATOM 263 CA ASP A 17 17.567 2.323 3.010 1.00 0.00 C ATOM 264 C ASP A 17 17.301 0.837 3.231 1.00 0.00 C ATOM 265 O ASP A 17 18.121 -0.014 2.880 1.00 0.00 O ATOM 266 CB ASP A 17 17.782 3.022 4.353 1.00 0.00 C ATOM 267 CG ASP A 17 18.879 2.382 5.174 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.056 2.774 5.008 1.00 0.00 O ATOM 269 OD2 ASP A 17 18.572 1.499 5.997 1.00 0.00 O ATOM 0 H ASP A 17 15.920 3.605 2.864 1.00 0.00 H new ATOM 0 HA ASP A 17 18.467 2.413 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.029 4.069 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 17 16.852 3.004 4.920 1.00 0.00 H new ATOM 274 N ASP A 18 16.140 0.531 3.788 1.00 0.00 N ATOM 275 CA ASP A 18 15.792 -0.839 4.149 1.00 0.00 C ATOM 276 C ASP A 18 14.281 -0.939 4.308 1.00 0.00 C ATOM 277 O ASP A 18 13.581 0.042 4.080 1.00 0.00 O ATOM 278 CB ASP A 18 16.505 -1.220 5.458 1.00 0.00 C ATOM 279 CG ASP A 18 16.363 -2.687 5.820 1.00 0.00 C ATOM 280 OD1 ASP A 18 17.093 -3.519 5.245 1.00 0.00 O ATOM 281 OD2 ASP A 18 15.516 -3.011 6.677 1.00 0.00 O ATOM 0 H ASP A 18 15.416 1.217 4.002 1.00 0.00 H new ATOM 0 HA ASP A 18 16.112 -1.529 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.564 -0.977 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.105 -0.613 6.270 1.00 0.00 H new ATOM 286 N GLU A 19 13.779 -2.108 4.684 1.00 0.00 N ATOM 287 CA GLU A 19 12.367 -2.265 4.992 1.00 0.00 C ATOM 288 C GLU A 19 12.064 -1.549 6.306 1.00 0.00 C ATOM 289 O GLU A 19 10.958 -1.060 6.531 1.00 0.00 O ATOM 290 CB GLU A 19 12.007 -3.754 5.087 1.00 0.00 C ATOM 291 CG GLU A 19 10.526 -4.027 5.317 1.00 0.00 C ATOM 292 CD GLU A 19 9.652 -3.645 4.135 1.00 0.00 C ATOM 293 OE1 GLU A 19 9.695 -2.478 3.705 1.00 0.00 O ATOM 294 OE2 GLU A 19 8.892 -4.505 3.642 1.00 0.00 O ATOM 0 H GLU A 19 14.330 -2.961 4.783 1.00 0.00 H new ATOM 0 HA GLU A 19 11.765 -1.825 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.318 -4.250 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.578 -4.203 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.389 -5.086 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.195 -3.476 6.197 1.00 0.00 H new ATOM 301 N ASN A 20 13.077 -1.480 7.169 1.00 0.00 N ATOM 302 CA ASN A 20 12.971 -0.746 8.424 1.00 0.00 C ATOM 303 C ASN A 20 13.027 0.755 8.166 1.00 0.00 C ATOM 304 O ASN A 20 12.375 1.543 8.851 1.00 0.00 O ATOM 305 CB ASN A 20 14.107 -1.152 9.370 1.00 0.00 C ATOM 306 CG ASN A 20 14.016 -0.479 10.730 1.00 0.00 C ATOM 307 OD1 ASN A 20 12.928 -0.170 11.217 1.00 0.00 O ATOM 308 ND2 ASN A 20 15.161 -0.243 11.350 1.00 0.00 N ATOM 0 H ASN A 20 13.982 -1.926 7.019 1.00 0.00 H new ATOM 0 HA ASN A 20 12.015 -0.989 8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.092 -2.234 9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.063 -0.901 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.162 0.210 12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.042 -0.514 10.914 1.00 0.00 H new ATOM 315 N ASN A 21 13.791 1.144 7.152 1.00 0.00 N ATOM 316 CA ASN A 21 13.967 2.554 6.828 1.00 0.00 C ATOM 317 C ASN A 21 13.535 2.819 5.397 1.00 0.00 C ATOM 318 O ASN A 21 14.315 3.313 4.576 1.00 0.00 O ATOM 319 CB ASN A 21 15.421 2.997 7.017 1.00 0.00 C ATOM 320 CG ASN A 21 15.931 2.769 8.423 1.00 0.00 C ATOM 321 OD1 ASN A 21 15.705 3.580 9.321 1.00 0.00 O ATOM 322 ND2 ASN A 21 16.658 1.682 8.613 1.00 0.00 N ATOM 0 H ASN A 21 14.298 0.504 6.541 1.00 0.00 H new ATOM 0 HA ASN A 21 13.344 3.131 7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.054 2.455 6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.507 4.056 6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.056 1.489 9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.821 1.036 7.841 1.00 0.00 H new ATOM 329 N ALA A 22 12.301 2.451 5.093 1.00 0.00 N ATOM 330 CA ALA A 22 11.743 2.689 3.775 1.00 0.00 C ATOM 331 C ALA A 22 11.475 4.172 3.574 1.00 0.00 C ATOM 332 O ALA A 22 10.837 4.818 4.404 1.00 0.00 O ATOM 333 CB ALA A 22 10.466 1.884 3.578 1.00 0.00 C ATOM 0 H ALA A 22 11.667 1.986 5.743 1.00 0.00 H new ATOM 0 HA ALA A 22 12.469 2.364 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.064 2.077 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.686 0.821 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.732 2.176 4.329 1.00 0.00 H new ATOM 339 N LEU A 23 11.978 4.713 2.476 1.00 0.00 N ATOM 340 CA LEU A 23 11.778 6.120 2.168 1.00 0.00 C ATOM 341 C LEU A 23 10.530 6.290 1.317 1.00 0.00 C ATOM 342 O LEU A 23 9.971 7.384 1.218 1.00 0.00 O ATOM 343 CB LEU A 23 12.997 6.689 1.440 1.00 0.00 C ATOM 344 CG LEU A 23 14.315 6.608 2.217 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.464 7.145 1.378 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.207 7.371 3.529 1.00 0.00 C ATOM 0 H LEU A 23 12.526 4.201 1.785 1.00 0.00 H new ATOM 0 HA LEU A 23 11.649 6.668 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.117 6.158 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.801 7.733 1.196 1.00 0.00 H new ATOM 0 HG LEU A 23 14.518 5.561 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.392 7.079 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.555 6.555 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.270 8.186 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.152 7.303 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.981 8.417 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.411 6.940 4.136 1.00 0.00 H new ATOM 358 N ALA A 24 10.110 5.197 0.701 1.00 0.00 N ATOM 359 CA ALA A 24 8.910 5.180 -0.116 1.00 0.00 C ATOM 360 C ALA A 24 8.431 3.753 -0.310 1.00 0.00 C ATOM 361 O ALA A 24 9.080 2.968 -1.005 1.00 0.00 O ATOM 362 CB ALA A 24 9.172 5.832 -1.465 1.00 0.00 C ATOM 0 H ALA A 24 10.591 4.299 0.754 1.00 0.00 H new ATOM 0 HA ALA A 24 8.134 5.748 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.261 5.810 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.482 6.866 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.961 5.288 -1.985 1.00 0.00 H new ATOM 368 N GLU A 25 7.319 3.403 0.320 1.00 0.00 N ATOM 369 CA GLU A 25 6.758 2.070 0.153 1.00 0.00 C ATOM 370 C GLU A 25 5.301 2.143 -0.295 1.00 0.00 C ATOM 371 O GLU A 25 4.534 3.000 0.154 1.00 0.00 O ATOM 372 CB GLU A 25 6.888 1.231 1.438 1.00 0.00 C ATOM 373 CG GLU A 25 5.925 1.605 2.562 1.00 0.00 C ATOM 374 CD GLU A 25 6.248 2.929 3.220 1.00 0.00 C ATOM 375 OE1 GLU A 25 5.770 3.970 2.727 1.00 0.00 O ATOM 376 OE2 GLU A 25 6.964 2.932 4.241 1.00 0.00 O ATOM 0 H GLU A 25 6.793 4.015 0.944 1.00 0.00 H new ATOM 0 HA GLU A 25 7.335 1.572 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.734 0.182 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.908 1.323 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.911 1.645 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.939 0.820 3.318 1.00 0.00 H new ATOM 383 N ILE A 26 4.935 1.253 -1.201 1.00 0.00 N ATOM 384 CA ILE A 26 3.570 1.174 -1.691 1.00 0.00 C ATOM 385 C ILE A 26 3.077 -0.269 -1.636 1.00 0.00 C ATOM 386 O ILE A 26 3.796 -1.193 -2.028 1.00 0.00 O ATOM 387 CB ILE A 26 3.456 1.727 -3.132 1.00 0.00 C ATOM 388 CG1 ILE A 26 2.005 1.670 -3.619 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.373 0.963 -4.079 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.800 2.284 -4.989 1.00 0.00 C ATOM 0 H ILE A 26 5.570 0.570 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 26 2.943 1.791 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 26 3.772 2.770 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.680 0.630 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.369 2.186 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.276 1.369 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.406 1.063 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.094 -0.091 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.749 2.208 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.094 3.333 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.409 1.753 -5.720 1.00 0.00 H new ATOM 402 N THR A 27 1.875 -0.468 -1.120 1.00 0.00 N ATOM 403 CA THR A 27 1.323 -1.802 -0.992 1.00 0.00 C ATOM 404 C THR A 27 0.160 -1.999 -1.955 1.00 0.00 C ATOM 405 O THR A 27 -0.659 -1.101 -2.142 1.00 0.00 O ATOM 406 CB THR A 27 0.839 -2.084 0.449 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.234 -1.202 0.799 1.00 0.00 O ATOM 408 CG2 THR A 27 1.971 -1.916 1.451 1.00 0.00 C ATOM 0 H THR A 27 1.265 0.278 -0.784 1.00 0.00 H new ATOM 0 HA THR A 27 2.123 -2.502 -1.235 1.00 0.00 H new ATOM 0 HB THR A 27 0.489 -3.116 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.618 -0.815 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.601 -2.121 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.775 -2.612 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.349 -0.895 1.405 1.00 0.00 H new ATOM 416 N TYR A 28 0.100 -3.167 -2.569 1.00 0.00 N ATOM 417 CA TYR A 28 -1.017 -3.519 -3.424 1.00 0.00 C ATOM 418 C TYR A 28 -1.496 -4.926 -3.080 1.00 0.00 C ATOM 419 O TYR A 28 -0.853 -5.927 -3.404 1.00 0.00 O ATOM 420 CB TYR A 28 -0.658 -3.382 -4.919 1.00 0.00 C ATOM 421 CG TYR A 28 0.367 -4.369 -5.442 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.708 -4.274 -5.090 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.012 -5.393 -6.303 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.640 -5.170 -5.579 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.912 -6.293 -6.793 1.00 0.00 C ATOM 426 CZ TYR A 28 2.236 -6.179 -6.430 1.00 0.00 C ATOM 427 OH TYR A 28 3.159 -7.075 -6.924 1.00 0.00 O ATOM 0 H TYR A 28 0.815 -3.890 -2.490 1.00 0.00 H new ATOM 0 HA TYR A 28 -1.833 -2.819 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.571 -3.490 -5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.285 -2.373 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.027 -3.487 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.048 -5.486 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.679 -5.081 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.598 -7.084 -7.458 1.00 0.00 H new ATOM 0 HH TYR A 28 4.005 -6.612 -7.096 1.00 0.00 H new ATOM 437 N ARG A 29 -2.607 -4.992 -2.374 1.00 0.00 N ATOM 438 CA ARG A 29 -3.133 -6.261 -1.907 1.00 0.00 C ATOM 439 C ARG A 29 -4.467 -6.559 -2.570 1.00 0.00 C ATOM 440 O ARG A 29 -5.144 -5.655 -3.062 1.00 0.00 O ATOM 441 CB ARG A 29 -3.274 -6.242 -0.387 1.00 0.00 C ATOM 442 CG ARG A 29 -1.942 -6.108 0.334 1.00 0.00 C ATOM 443 CD ARG A 29 -2.121 -5.980 1.835 1.00 0.00 C ATOM 444 NE ARG A 29 -0.838 -5.858 2.528 1.00 0.00 N ATOM 445 CZ ARG A 29 -0.449 -4.765 3.181 1.00 0.00 C ATOM 446 NH1 ARG A 29 -1.198 -3.671 3.147 1.00 0.00 N ATOM 447 NH2 ARG A 29 0.709 -4.752 3.831 1.00 0.00 N ATOM 0 H ARG A 29 -3.165 -4.180 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.436 -7.053 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.921 -5.414 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.766 -7.159 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.322 -6.977 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.411 -5.234 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.737 -5.108 2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.656 -6.851 2.213 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.205 -6.657 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.072 -3.667 2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.900 -2.833 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.303 -5.581 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.004 -3.913 4.330 1.00 0.00 H new ATOM 461 N PHE A 30 -4.844 -7.823 -2.575 1.00 0.00 N ATOM 462 CA PHE A 30 -6.024 -8.259 -3.298 1.00 0.00 C ATOM 463 C PHE A 30 -7.292 -8.050 -2.479 1.00 0.00 C ATOM 464 O PHE A 30 -7.376 -8.460 -1.321 1.00 0.00 O ATOM 465 CB PHE A 30 -5.899 -9.735 -3.680 1.00 0.00 C ATOM 466 CG PHE A 30 -4.768 -10.028 -4.626 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.490 -10.263 -4.147 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.988 -10.072 -5.993 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.451 -10.535 -5.016 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.954 -10.344 -6.866 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.682 -10.576 -6.377 1.00 0.00 C ATOM 0 H PHE A 30 -4.349 -8.568 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.096 -7.653 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.762 -10.324 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.834 -10.062 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.304 -10.233 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.980 -9.891 -6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.458 -10.716 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.138 -10.376 -7.930 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.871 -10.789 -7.058 1.00 0.00 H new ATOM 481 N VAL A 31 -8.270 -7.391 -3.082 1.00 0.00 N ATOM 482 CA VAL A 31 -9.606 -7.312 -2.506 1.00 0.00 C ATOM 483 C VAL A 31 -10.506 -8.305 -3.218 1.00 0.00 C ATOM 484 O VAL A 31 -11.608 -8.619 -2.770 1.00 0.00 O ATOM 485 CB VAL A 31 -10.213 -5.897 -2.610 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.502 -4.946 -1.664 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.149 -5.378 -4.042 1.00 0.00 C ATOM 0 H VAL A 31 -8.164 -6.902 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.527 -7.549 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.262 -5.955 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.941 -3.952 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.609 -5.304 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.444 -4.898 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.583 -4.379 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.110 -5.337 -4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.708 -6.046 -4.697 1.00 0.00 H new ATOM 497 N ASP A 32 -10.004 -8.793 -4.339 1.00 0.00 N ATOM 498 CA ASP A 32 -10.677 -9.803 -5.134 1.00 0.00 C ATOM 499 C ASP A 32 -9.621 -10.553 -5.945 1.00 0.00 C ATOM 500 O ASP A 32 -8.445 -10.197 -5.898 1.00 0.00 O ATOM 501 CB ASP A 32 -11.719 -9.151 -6.057 1.00 0.00 C ATOM 502 CG ASP A 32 -12.602 -10.165 -6.759 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.615 -10.594 -6.167 1.00 0.00 O ATOM 504 OD2 ASP A 32 -12.287 -10.538 -7.909 1.00 0.00 O ATOM 0 H ASP A 32 -9.108 -8.496 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.207 -10.502 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.344 -8.476 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.207 -8.544 -6.804 1.00 0.00 H new ATOM 509 N ASN A 33 -10.029 -11.569 -6.691 1.00 0.00 N ATOM 510 CA ASN A 33 -9.090 -12.388 -7.456 1.00 0.00 C ATOM 511 C ASN A 33 -8.446 -11.595 -8.586 1.00 0.00 C ATOM 512 O ASN A 33 -7.299 -11.845 -8.950 1.00 0.00 O ATOM 513 CB ASN A 33 -9.796 -13.619 -8.025 1.00 0.00 C ATOM 514 CG ASN A 33 -10.149 -14.636 -6.960 1.00 0.00 C ATOM 515 OD1 ASN A 33 -9.423 -14.810 -5.977 1.00 0.00 O ATOM 516 ND2 ASN A 33 -11.272 -15.307 -7.139 1.00 0.00 N ATOM 0 H ASN A 33 -11.005 -11.849 -6.785 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.302 -12.707 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.705 -13.306 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.154 -14.088 -8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.568 -15.999 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.844 -15.133 -7.966 1.00 0.00 H new ATOM 523 N ASN A 34 -9.183 -10.643 -9.145 1.00 0.00 N ATOM 524 CA ASN A 34 -8.662 -9.838 -10.244 1.00 0.00 C ATOM 525 C ASN A 34 -8.739 -8.348 -9.924 1.00 0.00 C ATOM 526 O ASN A 34 -8.594 -7.505 -10.810 1.00 0.00 O ATOM 527 CB ASN A 34 -9.421 -10.139 -11.541 1.00 0.00 C ATOM 528 CG ASN A 34 -10.886 -9.753 -11.468 1.00 0.00 C ATOM 529 OD1 ASN A 34 -11.734 -10.554 -11.079 1.00 0.00 O ATOM 530 ND2 ASN A 34 -11.191 -8.522 -11.841 1.00 0.00 N ATOM 0 H ASN A 34 -10.134 -10.410 -8.859 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.613 -10.103 -10.380 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.950 -9.603 -12.365 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.341 -11.203 -11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.160 -8.206 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.457 -7.888 -12.158 1.00 0.00 H new ATOM 537 N GLU A 35 -8.949 -8.022 -8.658 1.00 0.00 N ATOM 538 CA GLU A 35 -9.017 -6.627 -8.239 1.00 0.00 C ATOM 539 C GLU A 35 -8.110 -6.386 -7.037 1.00 0.00 C ATOM 540 O GLU A 35 -8.154 -7.128 -6.050 1.00 0.00 O ATOM 541 CB GLU A 35 -10.457 -6.224 -7.908 1.00 0.00 C ATOM 542 CG GLU A 35 -11.402 -6.310 -9.098 1.00 0.00 C ATOM 543 CD GLU A 35 -12.805 -5.846 -8.768 1.00 0.00 C ATOM 544 OE1 GLU A 35 -13.620 -6.678 -8.315 1.00 0.00 O ATOM 545 OE2 GLU A 35 -13.108 -4.653 -8.974 1.00 0.00 O ATOM 0 H GLU A 35 -9.075 -8.699 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.672 -6.008 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.831 -6.866 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.461 -5.204 -7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.007 -5.705 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.439 -7.340 -9.453 1.00 0.00 H new ATOM 552 N ILE A 36 -7.288 -5.351 -7.123 1.00 0.00 N ATOM 553 CA ILE A 36 -6.337 -5.038 -6.068 1.00 0.00 C ATOM 554 C ILE A 36 -6.552 -3.629 -5.540 1.00 0.00 C ATOM 555 O ILE A 36 -7.061 -2.756 -6.246 1.00 0.00 O ATOM 556 CB ILE A 36 -4.873 -5.178 -6.548 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.628 -4.303 -7.784 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.548 -6.635 -6.845 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.185 -4.285 -8.245 1.00 0.00 C ATOM 0 H ILE A 36 -7.261 -4.711 -7.917 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.512 -5.759 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.212 -4.836 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.256 -4.660 -8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.942 -3.283 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.514 -6.716 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.683 -7.229 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.214 -7.005 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.091 -3.645 -9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.552 -3.899 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.872 -5.298 -8.499 1.00 0.00 H new ATOM 571 N ASN A 37 -6.162 -3.415 -4.300 1.00 0.00 N ATOM 572 CA ASN A 37 -6.268 -2.100 -3.695 1.00 0.00 C ATOM 573 C ASN A 37 -4.923 -1.670 -3.138 1.00 0.00 C ATOM 574 O ASN A 37 -4.102 -2.504 -2.749 1.00 0.00 O ATOM 575 CB ASN A 37 -7.345 -2.053 -2.593 1.00 0.00 C ATOM 576 CG ASN A 37 -6.909 -2.620 -1.244 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.184 -3.732 -1.239 1.00 0.00 O flip ATOM 578 ND2 ASN A 37 -7.261 -2.071 -0.201 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.769 -4.133 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.574 -1.404 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.655 -1.018 -2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.220 -2.604 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.818 -1.217 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.996 -2.470 0.700 1.00 0.00 H new ATOM 585 N ILE A 38 -4.690 -0.374 -3.134 1.00 0.00 N ATOM 586 CA ILE A 38 -3.464 0.172 -2.584 1.00 0.00 C ATOM 587 C ILE A 38 -3.724 0.705 -1.180 1.00 0.00 C ATOM 588 O ILE A 38 -4.431 1.700 -1.003 1.00 0.00 O ATOM 589 CB ILE A 38 -2.867 1.293 -3.474 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.321 0.729 -4.794 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.763 2.025 -2.732 1.00 0.00 C ATOM 592 CD1 ILE A 38 -3.384 0.296 -5.778 1.00 0.00 C ATOM 0 H ILE A 38 -5.334 0.324 -3.506 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.732 -0.635 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.670 1.992 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.694 1.485 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.680 -0.124 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.354 2.809 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.169 2.471 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.973 1.322 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.909 -0.089 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.998 -0.485 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.012 1.149 -6.034 1.00 0.00 H new ATOM 604 N ASP A 39 -3.171 0.019 -0.190 1.00 0.00 N ATOM 605 CA ASP A 39 -3.380 0.385 1.206 1.00 0.00 C ATOM 606 C ASP A 39 -2.540 1.599 1.570 1.00 0.00 C ATOM 607 O ASP A 39 -3.068 2.672 1.869 1.00 0.00 O ATOM 608 CB ASP A 39 -3.000 -0.761 2.148 1.00 0.00 C ATOM 609 CG ASP A 39 -3.680 -2.075 1.824 1.00 0.00 C ATOM 610 OD1 ASP A 39 -4.813 -2.299 2.299 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.061 -2.906 1.129 1.00 0.00 O ATOM 0 H ASP A 39 -2.573 -0.796 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.440 0.611 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.920 -0.904 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.250 -0.476 3.170 1.00 0.00 H new ATOM 616 N HIS A 40 -1.229 1.413 1.536 1.00 0.00 N ATOM 617 CA HIS A 40 -0.290 2.432 1.970 1.00 0.00 C ATOM 618 C HIS A 40 0.569 2.895 0.799 1.00 0.00 C ATOM 619 O HIS A 40 1.010 2.085 -0.015 1.00 0.00 O ATOM 620 CB HIS A 40 0.598 1.863 3.088 1.00 0.00 C ATOM 621 CG HIS A 40 1.519 2.860 3.734 1.00 0.00 C ATOM 622 ND1 HIS A 40 1.348 3.309 5.024 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.631 3.481 3.272 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.309 4.161 5.325 1.00 0.00 C ATOM 625 NE2 HIS A 40 3.099 4.283 4.279 1.00 0.00 N ATOM 0 H HIS A 40 -0.789 0.554 1.208 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.843 3.291 2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.043 1.431 3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.197 1.050 2.678 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.594 3.026 5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.068 3.365 2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.428 4.672 6.269 1.00 0.00 H new ATOM 634 N THR A 41 0.783 4.197 0.713 1.00 0.00 N ATOM 635 CA THR A 41 1.694 4.769 -0.263 1.00 0.00 C ATOM 636 C THR A 41 2.476 5.904 0.384 1.00 0.00 C ATOM 637 O THR A 41 2.049 7.059 0.369 1.00 0.00 O ATOM 638 CB THR A 41 0.954 5.298 -1.507 1.00 0.00 C ATOM 639 OG1 THR A 41 0.042 4.304 -1.984 1.00 0.00 O ATOM 640 CG2 THR A 41 1.936 5.653 -2.616 1.00 0.00 C ATOM 0 H THR A 41 0.332 4.885 1.316 1.00 0.00 H new ATOM 0 HA THR A 41 2.369 3.979 -0.592 1.00 0.00 H new ATOM 0 HB THR A 41 0.409 6.198 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.276 4.060 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.388 6.024 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.621 6.424 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.503 4.766 -2.898 1.00 0.00 H new ATOM 648 N GLY A 42 3.599 5.559 0.986 1.00 0.00 N ATOM 649 CA GLY A 42 4.386 6.537 1.698 1.00 0.00 C ATOM 650 C GLY A 42 5.629 6.915 0.939 1.00 0.00 C ATOM 651 O GLY A 42 6.726 6.478 1.273 1.00 0.00 O ATOM 0 H GLY A 42 3.981 4.613 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.784 7.428 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.663 6.139 2.674 1.00 0.00 H new ATOM 655 N VAL A 43 5.450 7.704 -0.104 1.00 0.00 N ATOM 656 CA VAL A 43 6.567 8.179 -0.893 1.00 0.00 C ATOM 657 C VAL A 43 7.000 9.550 -0.401 1.00 0.00 C ATOM 658 O VAL A 43 6.337 10.553 -0.666 1.00 0.00 O ATOM 659 CB VAL A 43 6.214 8.250 -2.392 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.409 8.720 -3.209 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.720 6.900 -2.887 1.00 0.00 C ATOM 0 H VAL A 43 4.538 8.029 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 43 7.386 7.469 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 43 5.412 8.977 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.135 8.762 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.712 9.712 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.237 8.023 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.475 6.968 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.499 6.152 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.831 6.610 -2.327 1.00 0.00 H new ATOM 671 N SER A 44 8.094 9.581 0.347 1.00 0.00 N ATOM 672 CA SER A 44 8.607 10.826 0.887 1.00 0.00 C ATOM 673 C SER A 44 9.042 11.757 -0.238 1.00 0.00 C ATOM 674 O SER A 44 9.833 11.384 -1.106 1.00 0.00 O ATOM 675 CB SER A 44 9.781 10.558 1.828 1.00 0.00 C ATOM 676 OG SER A 44 9.468 9.530 2.758 1.00 0.00 O ATOM 0 H SER A 44 8.642 8.756 0.592 1.00 0.00 H new ATOM 0 HA SER A 44 7.809 11.308 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.658 10.272 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.037 11.472 2.364 1.00 0.00 H new ATOM 0 HG SER A 44 9.781 8.669 2.411 1.00 0.00 H new ATOM 682 N ASP A 45 8.524 12.970 -0.207 1.00 0.00 N ATOM 683 CA ASP A 45 8.811 13.962 -1.233 1.00 0.00 C ATOM 684 C ASP A 45 10.063 14.745 -0.864 1.00 0.00 C ATOM 685 O ASP A 45 10.546 15.577 -1.632 1.00 0.00 O ATOM 686 CB ASP A 45 7.617 14.909 -1.416 1.00 0.00 C ATOM 687 CG ASP A 45 7.384 15.831 -0.230 1.00 0.00 C ATOM 688 OD1 ASP A 45 7.518 15.380 0.929 1.00 0.00 O ATOM 689 OD2 ASP A 45 7.034 17.009 -0.454 1.00 0.00 O ATOM 0 H ASP A 45 7.895 13.298 0.526 1.00 0.00 H new ATOM 0 HA ASP A 45 8.985 13.448 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.777 15.513 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.718 14.317 -1.588 1.00 0.00 H new ATOM 694 N GLU A 46 10.587 14.449 0.319 1.00 0.00 N ATOM 695 CA GLU A 46 11.830 15.041 0.802 1.00 0.00 C ATOM 696 C GLU A 46 13.000 14.606 -0.087 1.00 0.00 C ATOM 697 O GLU A 46 14.062 15.225 -0.093 1.00 0.00 O ATOM 698 CB GLU A 46 12.055 14.608 2.256 1.00 0.00 C ATOM 699 CG GLU A 46 12.922 15.547 3.087 1.00 0.00 C ATOM 700 CD GLU A 46 14.407 15.416 2.810 1.00 0.00 C ATOM 701 OE1 GLU A 46 14.975 14.335 3.078 1.00 0.00 O ATOM 702 OE2 GLU A 46 15.020 16.399 2.346 1.00 0.00 O ATOM 0 H GLU A 46 10.162 13.791 0.972 1.00 0.00 H new ATOM 0 HA GLU A 46 11.765 16.128 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.085 14.509 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.514 13.619 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.615 16.575 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.741 15.353 4.144 1.00 0.00 H new ATOM 709 N LEU A 47 12.783 13.545 -0.861 1.00 0.00 N ATOM 710 CA LEU A 47 13.808 13.019 -1.757 1.00 0.00 C ATOM 711 C LEU A 47 14.071 13.977 -2.919 1.00 0.00 C ATOM 712 O LEU A 47 15.016 13.794 -3.687 1.00 0.00 O ATOM 713 CB LEU A 47 13.395 11.646 -2.291 1.00 0.00 C ATOM 714 CG LEU A 47 13.197 10.570 -1.221 1.00 0.00 C ATOM 715 CD1 LEU A 47 12.781 9.254 -1.859 1.00 0.00 C ATOM 716 CD2 LEU A 47 14.467 10.389 -0.402 1.00 0.00 C ATOM 0 H LEU A 47 11.902 13.031 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 47 14.731 12.916 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.467 11.755 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.154 11.303 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 47 12.401 10.895 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.645 8.501 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.845 9.392 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.555 8.925 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.306 9.620 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.283 10.088 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.722 11.329 0.086 1.00 0.00 H new ATOM 728 N GLY A 48 13.227 14.992 -3.052 1.00 0.00 N ATOM 729 CA GLY A 48 13.445 16.007 -4.059 1.00 0.00 C ATOM 730 C GLY A 48 12.631 15.771 -5.308 1.00 0.00 C ATOM 731 O GLY A 48 11.422 15.553 -5.238 1.00 0.00 O ATOM 0 H GLY A 48 12.395 15.129 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.194 16.984 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.503 16.034 -4.319 1.00 0.00 H new ATOM 735 N GLY A 49 13.300 15.800 -6.454 1.00 0.00 N ATOM 736 CA GLY A 49 12.620 15.632 -7.722 1.00 0.00 C ATOM 737 C GLY A 49 12.713 14.214 -8.242 1.00 0.00 C ATOM 738 O GLY A 49 12.671 13.982 -9.451 1.00 0.00 O ATOM 0 H GLY A 49 14.308 15.938 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.571 15.906 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.050 16.314 -8.455 1.00 0.00 H new ATOM 742 N GLN A 50 12.852 13.263 -7.331 1.00 0.00 N ATOM 743 CA GLN A 50 12.917 11.861 -7.707 1.00 0.00 C ATOM 744 C GLN A 50 11.515 11.273 -7.768 1.00 0.00 C ATOM 745 O GLN A 50 10.807 11.230 -6.760 1.00 0.00 O ATOM 746 CB GLN A 50 13.779 11.074 -6.715 1.00 0.00 C ATOM 747 CG GLN A 50 15.215 11.561 -6.633 1.00 0.00 C ATOM 748 CD GLN A 50 16.073 10.722 -5.702 1.00 0.00 C ATOM 749 OE1 GLN A 50 15.773 9.434 -5.609 1.00 0.00 O flip ATOM 750 NE2 GLN A 50 17.008 11.223 -5.083 1.00 0.00 N flip ATOM 0 H GLN A 50 12.922 13.437 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 50 13.376 11.787 -8.693 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.327 11.136 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.777 10.022 -7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.654 11.551 -7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.223 12.596 -6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.209 12.218 -5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.584 10.644 -4.472 1.00 0.00 H new ATOM 759 N GLY A 51 11.122 10.811 -8.946 1.00 0.00 N ATOM 760 CA GLY A 51 9.786 10.274 -9.130 1.00 0.00 C ATOM 761 C GLY A 51 9.663 8.850 -8.630 1.00 0.00 C ATOM 762 O GLY A 51 9.220 7.963 -9.359 1.00 0.00 O ATOM 0 H GLY A 51 11.706 10.798 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.068 10.904 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.526 10.309 -10.188 1.00 0.00 H new ATOM 766 N VAL A 52 10.049 8.637 -7.378 1.00 0.00 N ATOM 767 CA VAL A 52 10.028 7.313 -6.768 1.00 0.00 C ATOM 768 C VAL A 52 8.615 6.739 -6.754 1.00 0.00 C ATOM 769 O VAL A 52 8.409 5.563 -7.053 1.00 0.00 O ATOM 770 CB VAL A 52 10.578 7.367 -5.326 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.616 5.981 -4.705 1.00 0.00 C ATOM 772 CG2 VAL A 52 11.960 7.999 -5.306 1.00 0.00 C ATOM 0 H VAL A 52 10.384 9.375 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 52 10.665 6.664 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 52 9.906 7.985 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.007 6.048 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.608 5.566 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.260 5.333 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.332 8.029 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.639 7.409 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.902 9.013 -5.700 1.00 0.00 H new ATOM 782 N GLY A 53 7.647 7.587 -6.429 1.00 0.00 N ATOM 783 CA GLY A 53 6.260 7.159 -6.378 1.00 0.00 C ATOM 784 C GLY A 53 5.756 6.642 -7.712 1.00 0.00 C ATOM 785 O GLY A 53 5.099 5.606 -7.774 1.00 0.00 O ATOM 0 H GLY A 53 7.798 8.569 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.153 6.377 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.638 7.995 -6.059 1.00 0.00 H new ATOM 789 N LYS A 54 6.084 7.359 -8.780 1.00 0.00 N ATOM 790 CA LYS A 54 5.654 6.975 -10.116 1.00 0.00 C ATOM 791 C LYS A 54 6.294 5.661 -10.545 1.00 0.00 C ATOM 792 O LYS A 54 5.639 4.816 -11.145 1.00 0.00 O ATOM 793 CB LYS A 54 5.969 8.084 -11.125 1.00 0.00 C ATOM 794 CG LYS A 54 5.896 7.624 -12.574 1.00 0.00 C ATOM 795 CD LYS A 54 5.831 8.793 -13.540 1.00 0.00 C ATOM 796 CE LYS A 54 4.465 9.461 -13.516 1.00 0.00 C ATOM 797 NZ LYS A 54 4.305 10.430 -14.628 1.00 0.00 N ATOM 0 H LYS A 54 6.646 8.209 -8.745 1.00 0.00 H new ATOM 0 HA LYS A 54 4.574 6.828 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.270 8.908 -10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.967 8.473 -10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.768 7.012 -12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.018 6.992 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.598 9.523 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.049 8.445 -14.550 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.687 8.700 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.328 9.974 -12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.320 10.763 -14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.940 11.240 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.543 9.967 -15.529 1.00 0.00 H new ATOM 811 N LYS A 55 7.566 5.487 -10.215 1.00 0.00 N ATOM 812 CA LYS A 55 8.293 4.279 -10.595 1.00 0.00 C ATOM 813 C LYS A 55 7.731 3.054 -9.879 1.00 0.00 C ATOM 814 O LYS A 55 7.547 1.997 -10.488 1.00 0.00 O ATOM 815 CB LYS A 55 9.785 4.443 -10.300 1.00 0.00 C ATOM 816 CG LYS A 55 10.422 5.573 -11.093 1.00 0.00 C ATOM 817 CD LYS A 55 11.905 5.715 -10.796 1.00 0.00 C ATOM 818 CE LYS A 55 12.520 6.836 -11.619 1.00 0.00 C ATOM 819 NZ LYS A 55 13.982 6.963 -11.388 1.00 0.00 N ATOM 0 H LYS A 55 8.117 6.164 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 55 8.166 4.126 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.922 4.631 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.300 3.510 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.282 5.391 -12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.915 6.509 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.049 5.917 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.415 4.777 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.336 6.651 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.031 7.778 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.359 7.739 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.158 7.165 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.453 6.074 -11.650 1.00 0.00 H new ATOM 833 N LEU A 56 7.439 3.208 -8.592 1.00 0.00 N ATOM 834 CA LEU A 56 6.849 2.129 -7.809 1.00 0.00 C ATOM 835 C LEU A 56 5.453 1.796 -8.323 1.00 0.00 C ATOM 836 O LEU A 56 5.113 0.630 -8.525 1.00 0.00 O ATOM 837 CB LEU A 56 6.779 2.515 -6.329 1.00 0.00 C ATOM 838 CG LEU A 56 8.128 2.623 -5.619 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.941 3.098 -4.190 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.848 1.285 -5.647 1.00 0.00 C ATOM 0 H LEU A 56 7.601 4.069 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 56 7.483 1.248 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.264 3.472 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.170 1.778 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 56 8.739 3.356 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.912 3.169 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.463 4.078 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.313 2.389 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.807 1.377 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.240 0.534 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.014 0.983 -6.681 1.00 0.00 H new ATOM 852 N LEU A 57 4.655 2.831 -8.551 1.00 0.00 N ATOM 853 CA LEU A 57 3.291 2.651 -9.026 1.00 0.00 C ATOM 854 C LEU A 57 3.278 2.049 -10.428 1.00 0.00 C ATOM 855 O LEU A 57 2.404 1.247 -10.755 1.00 0.00 O ATOM 856 CB LEU A 57 2.547 3.988 -9.016 1.00 0.00 C ATOM 857 CG LEU A 57 1.070 3.921 -9.416 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.294 3.022 -8.465 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.469 5.316 -9.440 1.00 0.00 C ATOM 0 H LEU A 57 4.930 3.804 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 57 2.783 1.959 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.616 4.415 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.058 4.674 -9.692 1.00 0.00 H new ATOM 0 HG LEU A 57 1.003 3.494 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.753 2.989 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.712 2.016 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.366 3.416 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.581 5.255 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.550 5.764 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.006 5.931 -10.162 1.00 0.00 H new ATOM 871 N LYS A 58 4.256 2.432 -11.243 1.00 0.00 N ATOM 872 CA LYS A 58 4.371 1.925 -12.604 1.00 0.00 C ATOM 873 C LYS A 58 4.429 0.402 -12.605 1.00 0.00 C ATOM 874 O LYS A 58 3.681 -0.247 -13.329 1.00 0.00 O ATOM 875 CB LYS A 58 5.620 2.496 -13.284 1.00 0.00 C ATOM 876 CG LYS A 58 5.738 2.131 -14.758 1.00 0.00 C ATOM 877 CD LYS A 58 7.026 2.669 -15.366 1.00 0.00 C ATOM 878 CE LYS A 58 8.253 1.980 -14.782 1.00 0.00 C ATOM 879 NZ LYS A 58 8.369 0.564 -15.223 1.00 0.00 N ATOM 0 H LYS A 58 4.984 3.096 -10.981 1.00 0.00 H new ATOM 0 HA LYS A 58 3.490 2.242 -13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.611 3.582 -13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.505 2.137 -12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.707 1.047 -14.869 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.883 2.531 -15.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.007 2.525 -16.446 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.092 3.742 -15.189 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.149 2.525 -15.079 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.204 2.016 -13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.297 0.188 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.618 -0.001 -14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.273 0.514 -16.257 1.00 0.00 H new ATOM 893 N ALA A 59 5.299 -0.157 -11.770 1.00 0.00 N ATOM 894 CA ALA A 59 5.451 -1.607 -11.676 1.00 0.00 C ATOM 895 C ALA A 59 4.143 -2.268 -11.247 1.00 0.00 C ATOM 896 O ALA A 59 3.777 -3.333 -11.755 1.00 0.00 O ATOM 897 CB ALA A 59 6.570 -1.957 -10.705 1.00 0.00 C ATOM 0 H ALA A 59 5.911 0.371 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 59 5.712 -1.988 -12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.673 -3.040 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.506 -1.523 -11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.333 -1.559 -9.718 1.00 0.00 H new ATOM 903 N VAL A 60 3.434 -1.624 -10.324 1.00 0.00 N ATOM 904 CA VAL A 60 2.138 -2.117 -9.868 1.00 0.00 C ATOM 905 C VAL A 60 1.131 -2.115 -11.016 1.00 0.00 C ATOM 906 O VAL A 60 0.423 -3.102 -11.239 1.00 0.00 O ATOM 907 CB VAL A 60 1.587 -1.273 -8.695 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.226 -1.788 -8.243 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.569 -1.269 -7.532 1.00 0.00 C ATOM 0 H VAL A 60 3.736 -0.758 -9.877 1.00 0.00 H new ATOM 0 HA VAL A 60 2.285 -3.138 -9.515 1.00 0.00 H new ATOM 0 HB VAL A 60 1.461 -0.249 -9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.138 -1.177 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.478 -1.733 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.319 -2.823 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.164 -0.670 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.729 -2.291 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.518 -0.843 -7.858 1.00 0.00 H new ATOM 919 N VAL A 61 1.088 -1.011 -11.752 1.00 0.00 N ATOM 920 CA VAL A 61 0.184 -0.872 -12.888 1.00 0.00 C ATOM 921 C VAL A 61 0.537 -1.868 -13.989 1.00 0.00 C ATOM 922 O VAL A 61 -0.348 -2.459 -14.601 1.00 0.00 O ATOM 923 CB VAL A 61 0.206 0.567 -13.449 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.644 0.681 -14.708 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.274 1.549 -12.393 1.00 0.00 C ATOM 0 H VAL A 61 1.673 -0.193 -11.581 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.824 -1.086 -12.532 1.00 0.00 H new ATOM 0 HB VAL A 61 1.234 0.811 -13.717 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.609 1.705 -15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.257 0.005 -15.471 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.675 0.414 -14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.254 2.560 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.293 1.297 -12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.380 1.496 -11.522 1.00 0.00 H new ATOM 935 N GLU A 62 1.829 -2.062 -14.225 1.00 0.00 N ATOM 936 CA GLU A 62 2.295 -3.056 -15.187 1.00 0.00 C ATOM 937 C GLU A 62 1.818 -4.450 -14.784 1.00 0.00 C ATOM 938 O GLU A 62 1.335 -5.223 -15.614 1.00 0.00 O ATOM 939 CB GLU A 62 3.823 -3.028 -15.283 1.00 0.00 C ATOM 940 CG GLU A 62 4.373 -1.776 -15.949 1.00 0.00 C ATOM 941 CD GLU A 62 5.886 -1.743 -15.962 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.482 -1.225 -14.994 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.492 -2.237 -16.935 1.00 0.00 O ATOM 0 H GLU A 62 2.575 -1.543 -13.762 1.00 0.00 H new ATOM 0 HA GLU A 62 1.879 -2.813 -16.165 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.242 -3.109 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.159 -3.902 -15.841 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.003 -1.721 -16.973 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.998 -0.896 -15.426 1.00 0.00 H new ATOM 950 N HIS A 63 1.934 -4.749 -13.495 1.00 0.00 N ATOM 951 CA HIS A 63 1.497 -6.031 -12.952 1.00 0.00 C ATOM 952 C HIS A 63 -0.015 -6.183 -13.118 1.00 0.00 C ATOM 953 O HIS A 63 -0.508 -7.257 -13.472 1.00 0.00 O ATOM 954 CB HIS A 63 1.885 -6.132 -11.471 1.00 0.00 C ATOM 955 CG HIS A 63 1.678 -7.490 -10.867 1.00 0.00 C ATOM 956 ND1 HIS A 63 2.706 -8.383 -10.664 1.00 0.00 N ATOM 957 CD2 HIS A 63 0.561 -8.096 -10.396 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.232 -9.477 -10.097 1.00 0.00 C ATOM 959 NE2 HIS A 63 0.934 -9.327 -9.924 1.00 0.00 N ATOM 0 H HIS A 63 2.330 -4.115 -12.801 1.00 0.00 H new ATOM 0 HA HIS A 63 1.990 -6.835 -13.498 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.934 -5.856 -11.363 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.304 -5.404 -10.905 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.438 -7.685 -10.393 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.810 -10.347 -9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.308 -10.016 -9.506 1.00 0.00 H new ATOM 968 N ALA A 64 -0.742 -5.098 -12.871 1.00 0.00 N ATOM 969 CA ALA A 64 -2.193 -5.096 -13.009 1.00 0.00 C ATOM 970 C ALA A 64 -2.601 -5.275 -14.465 1.00 0.00 C ATOM 971 O ALA A 64 -3.477 -6.075 -14.777 1.00 0.00 O ATOM 972 CB ALA A 64 -2.775 -3.808 -12.451 1.00 0.00 C ATOM 0 H ALA A 64 -0.347 -4.206 -12.573 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.590 -5.936 -12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.859 -3.821 -12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.518 -3.720 -11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.365 -2.958 -12.996 1.00 0.00 H new ATOM 978 N ARG A 65 -1.947 -4.540 -15.352 1.00 0.00 N ATOM 979 CA ARG A 65 -2.209 -4.636 -16.783 1.00 0.00 C ATOM 980 C ARG A 65 -2.037 -6.073 -17.270 1.00 0.00 C ATOM 981 O ARG A 65 -2.908 -6.616 -17.951 1.00 0.00 O ATOM 982 CB ARG A 65 -1.270 -3.700 -17.551 1.00 0.00 C ATOM 983 CG ARG A 65 -1.298 -3.893 -19.060 1.00 0.00 C ATOM 984 CD ARG A 65 -2.615 -3.448 -19.682 1.00 0.00 C ATOM 985 NE ARG A 65 -2.813 -1.997 -19.615 1.00 0.00 N ATOM 986 CZ ARG A 65 -2.100 -1.106 -20.308 1.00 0.00 C ATOM 987 NH1 ARG A 65 -1.105 -1.501 -21.098 1.00 0.00 N ATOM 988 NH2 ARG A 65 -2.399 0.184 -20.217 1.00 0.00 N ATOM 0 H ARG A 65 -1.224 -3.864 -15.104 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.240 -4.335 -16.967 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.536 -2.668 -17.322 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.251 -3.853 -17.195 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.480 -3.331 -19.510 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.128 -4.944 -19.292 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.645 -3.767 -20.724 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.439 -3.947 -19.172 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.544 -1.645 -18.998 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.881 -2.493 -21.179 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.567 -0.812 -21.623 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.169 0.488 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.859 0.871 -20.743 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.925 -6.686 -16.894 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.612 -8.040 -17.320 1.00 0.00 C ATOM 1004 C GLU A 66 -1.599 -9.048 -16.728 1.00 0.00 C ATOM 1005 O GLU A 66 -2.114 -9.915 -17.433 1.00 0.00 O ATOM 1006 CB GLU A 66 0.812 -8.395 -16.892 1.00 0.00 C ATOM 1007 CG GLU A 66 1.319 -9.694 -17.483 1.00 0.00 C ATOM 1008 CD GLU A 66 1.558 -9.599 -18.976 1.00 0.00 C ATOM 1009 OE1 GLU A 66 0.574 -9.630 -19.749 1.00 0.00 O ATOM 1010 OE2 GLU A 66 2.733 -9.506 -19.383 1.00 0.00 O ATOM 0 H GLU A 66 -0.220 -6.263 -16.290 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.692 -8.086 -18.406 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.482 -7.587 -17.185 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.849 -8.462 -15.805 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.248 -9.977 -16.987 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.597 -10.486 -17.284 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.876 -8.915 -15.435 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.720 -9.882 -14.727 1.00 0.00 C ATOM 1019 C ASN A 67 -4.205 -9.551 -14.863 1.00 0.00 C ATOM 1020 O ASN A 67 -5.049 -10.240 -14.292 1.00 0.00 O ATOM 1021 CB ASN A 67 -2.344 -9.948 -13.242 1.00 0.00 C ATOM 1022 CG ASN A 67 -1.042 -10.688 -12.979 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.125 -10.649 -13.931 1.00 0.00 O flip ATOM 1024 ND2 ASN A 67 -0.864 -11.286 -11.920 1.00 0.00 N flip ATOM 0 H ASN A 67 -1.531 -8.151 -14.854 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.544 -10.853 -15.189 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.262 -8.934 -12.851 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.148 -10.438 -12.693 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.596 -11.293 -11.209 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.015 -11.775 -11.752 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.509 -8.489 -15.611 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.893 -8.059 -15.849 1.00 0.00 C ATOM 1033 C ASN A 68 -6.552 -7.619 -14.545 1.00 0.00 C ATOM 1034 O ASN A 68 -7.763 -7.761 -14.359 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.724 -9.168 -16.521 1.00 0.00 C ATOM 1036 CG ASN A 68 -6.344 -9.409 -17.976 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -5.063 -9.297 -18.297 1.00 0.00 O flip ATOM 1038 ND2 ASN A 68 -7.201 -9.715 -18.804 1.00 0.00 N flip ATOM 0 H ASN A 68 -3.809 -7.904 -16.068 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.859 -7.209 -16.530 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.599 -10.095 -15.962 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.780 -8.904 -16.468 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.178 -9.792 -18.522 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.934 -9.892 -19.773 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.746 -7.050 -13.662 1.00 0.00 N ATOM 1046 CA LEU A 69 -6.217 -6.609 -12.360 1.00 0.00 C ATOM 1047 C LEU A 69 -6.775 -5.194 -12.443 1.00 0.00 C ATOM 1048 O LEU A 69 -6.288 -4.370 -13.218 1.00 0.00 O ATOM 1049 CB LEU A 69 -5.076 -6.640 -11.338 1.00 0.00 C ATOM 1050 CG LEU A 69 -4.347 -7.976 -11.197 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -3.164 -7.835 -10.253 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.290 -9.060 -10.700 1.00 0.00 C ATOM 0 H LEU A 69 -4.754 -6.882 -13.827 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.007 -7.289 -12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.347 -5.877 -11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.478 -6.362 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.980 -8.268 -12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.654 -8.794 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.471 -7.092 -10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.517 -7.518 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.747 -10.001 -10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.691 -8.776 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.110 -9.182 -11.408 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.806 -4.926 -11.658 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.352 -3.582 -11.544 1.00 0.00 C ATOM 1066 C LYS A 70 -7.763 -2.896 -10.320 1.00 0.00 C ATOM 1067 O LYS A 70 -7.605 -3.523 -9.272 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.882 -3.610 -11.453 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.586 -3.771 -12.797 1.00 0.00 C ATOM 1070 CD LYS A 70 -10.323 -5.130 -13.424 1.00 0.00 C ATOM 1071 CE LYS A 70 -10.893 -5.211 -14.832 1.00 0.00 C ATOM 1072 NZ LYS A 70 -10.262 -4.218 -15.744 1.00 0.00 N ATOM 0 H LYS A 70 -8.284 -5.624 -11.088 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.083 -3.022 -12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.181 -4.429 -10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.224 -2.687 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.659 -3.637 -12.661 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.250 -2.988 -13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.250 -5.317 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.766 -5.910 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.741 -6.215 -15.228 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.969 -5.041 -14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.423 -4.502 -16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.682 -3.281 -15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.240 -4.177 -15.558 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.431 -1.618 -10.454 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.746 -0.899 -9.392 1.00 0.00 C ATOM 1088 C ILE A 71 -7.649 0.125 -8.710 1.00 0.00 C ATOM 1089 O ILE A 71 -8.198 1.025 -9.352 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.485 -0.185 -9.927 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.450 -1.210 -10.394 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.891 0.734 -8.867 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.172 -0.585 -10.907 1.00 0.00 C ATOM 0 H ILE A 71 -7.625 -1.061 -11.286 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.457 -1.647 -8.654 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.775 0.428 -10.781 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.212 -1.877 -9.566 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.887 -1.823 -11.182 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.004 1.225 -9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.627 1.487 -8.584 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.616 0.148 -7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.484 -1.370 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.398 0.061 -11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.712 0.005 -10.114 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.802 -0.034 -7.403 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.464 0.961 -6.576 1.00 0.00 C ATOM 1107 C ILE A 72 -7.532 1.403 -5.445 1.00 0.00 C ATOM 1108 O ILE A 72 -7.246 0.645 -4.519 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.805 0.446 -5.996 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.638 -0.958 -5.401 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.882 0.454 -7.074 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.889 -1.496 -4.742 1.00 0.00 C ATOM 0 H ILE A 72 -7.472 -0.852 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.697 1.814 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.115 1.115 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.332 -1.643 -6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.832 -0.938 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.820 0.090 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.020 1.470 -7.443 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.578 -0.193 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.692 -2.492 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.185 -0.834 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.693 -1.550 -5.476 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.032 2.622 -5.542 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.086 3.128 -4.558 1.00 0.00 C ATOM 1126 C ALA A 73 -6.804 3.753 -3.372 1.00 0.00 C ATOM 1127 O ALA A 73 -7.438 4.800 -3.498 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.143 4.132 -5.197 1.00 0.00 C ATOM 0 H ALA A 73 -7.262 3.279 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.503 2.284 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.442 4.501 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.591 3.650 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.718 4.967 -5.598 1.00 0.00 H new ATOM 1134 N SER A 74 -6.707 3.100 -2.221 1.00 0.00 N ATOM 1135 CA SER A 74 -7.306 3.616 -1.003 1.00 0.00 C ATOM 1136 C SER A 74 -6.504 4.817 -0.513 1.00 0.00 C ATOM 1137 O SER A 74 -7.073 5.824 -0.084 1.00 0.00 O ATOM 1138 CB SER A 74 -7.358 2.524 0.069 1.00 0.00 C ATOM 1139 OG SER A 74 -8.047 2.969 1.227 1.00 0.00 O ATOM 0 H SER A 74 -6.218 2.212 -2.108 1.00 0.00 H new ATOM 0 HA SER A 74 -8.328 3.934 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.853 1.640 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.344 2.227 0.338 1.00 0.00 H new ATOM 0 HG SER A 74 -8.065 2.250 1.893 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.178 4.703 -0.591 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.296 5.811 -0.258 1.00 0.00 C ATOM 1147 C CYS A 75 -4.517 6.961 -1.231 1.00 0.00 C ATOM 1148 O CYS A 75 -4.288 6.822 -2.433 1.00 0.00 O ATOM 1149 CB CYS A 75 -2.829 5.373 -0.292 1.00 0.00 C ATOM 1150 SG CYS A 75 -1.661 6.682 0.155 1.00 0.00 S ATOM 0 H CYS A 75 -4.695 3.853 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.531 6.143 0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.695 4.532 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.591 5.013 -1.293 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.132 6.415 1.312 1.00 0.00 H new ATOM 1156 N SER A 76 -4.967 8.092 -0.706 1.00 0.00 N ATOM 1157 CA SER A 76 -5.306 9.245 -1.527 1.00 0.00 C ATOM 1158 C SER A 76 -4.081 9.825 -2.243 1.00 0.00 C ATOM 1159 O SER A 76 -4.221 10.577 -3.211 1.00 0.00 O ATOM 1160 CB SER A 76 -5.989 10.305 -0.666 1.00 0.00 C ATOM 1161 OG SER A 76 -7.148 9.765 -0.048 1.00 0.00 O ATOM 0 H SER A 76 -5.107 8.236 0.294 1.00 0.00 H new ATOM 0 HA SER A 76 -5.994 8.915 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.297 10.666 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.262 11.162 -1.281 1.00 0.00 H new ATOM 0 HG SER A 76 -7.576 10.454 0.503 1.00 0.00 H new ATOM 1167 N PHE A 77 -2.888 9.463 -1.781 1.00 0.00 N ATOM 1168 CA PHE A 77 -1.656 9.892 -2.433 1.00 0.00 C ATOM 1169 C PHE A 77 -1.541 9.229 -3.804 1.00 0.00 C ATOM 1170 O PHE A 77 -1.313 9.895 -4.812 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.442 9.541 -1.569 1.00 0.00 C ATOM 1172 CG PHE A 77 0.866 10.034 -2.128 1.00 0.00 C ATOM 1173 CD1 PHE A 77 1.267 11.346 -1.932 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.693 9.187 -2.850 1.00 0.00 C ATOM 1175 CE1 PHE A 77 2.467 11.803 -2.444 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.894 9.640 -3.364 1.00 0.00 C ATOM 1177 CZ PHE A 77 3.281 10.949 -3.160 1.00 0.00 C ATOM 0 H PHE A 77 -2.749 8.875 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.683 10.974 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.583 9.962 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.392 8.458 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.635 12.019 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.396 8.162 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.767 12.828 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.529 8.970 -3.925 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.219 11.304 -3.560 1.00 0.00 H new ATOM 1187 N ALA A 78 -1.720 7.913 -3.827 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.705 7.150 -5.072 1.00 0.00 C ATOM 1189 C ALA A 78 -2.997 7.381 -5.849 1.00 0.00 C ATOM 1190 O ALA A 78 -3.004 7.406 -7.080 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.522 5.667 -4.770 1.00 0.00 C ATOM 0 H ALA A 78 -1.878 7.348 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.870 7.489 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.512 5.104 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.579 5.516 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.345 5.319 -4.145 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.080 7.566 -5.100 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.409 7.794 -5.660 1.00 0.00 C ATOM 1199 C LYS A 79 -5.402 8.930 -6.676 1.00 0.00 C ATOM 1200 O LYS A 79 -5.762 8.735 -7.836 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.380 8.127 -4.530 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.815 8.346 -4.975 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.663 8.881 -3.829 1.00 0.00 C ATOM 1204 CE LYS A 79 -8.738 7.898 -2.668 1.00 0.00 C ATOM 1205 NZ LYS A 79 -9.439 8.475 -1.490 1.00 0.00 N ATOM 0 H LYS A 79 -4.060 7.562 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.723 6.886 -6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.359 7.318 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.030 9.025 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.838 9.048 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.235 7.407 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.245 9.825 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.669 9.093 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.256 6.995 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.730 7.601 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.884 7.711 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.754 8.978 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.170 9.140 -1.813 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.965 10.111 -6.242 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.017 11.301 -7.088 1.00 0.00 C ATOM 1221 C HIS A 80 -4.036 11.209 -8.251 1.00 0.00 C ATOM 1222 O HIS A 80 -4.205 11.885 -9.263 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.749 12.572 -6.274 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.871 12.942 -5.350 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -7.185 13.016 -5.752 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -5.868 13.255 -4.034 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -7.939 13.359 -4.727 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -7.166 13.511 -3.670 1.00 0.00 N ATOM 0 H HIS A 80 -4.573 10.269 -5.314 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.026 11.355 -7.498 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.839 12.434 -5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.566 13.400 -6.959 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.523 12.834 -6.697 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.003 13.296 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.010 13.493 -4.749 1.00 0.00 H new ATOM 1237 N MET A 81 -3.021 10.367 -8.112 1.00 0.00 N ATOM 1238 CA MET A 81 -2.043 10.178 -9.176 1.00 0.00 C ATOM 1239 C MET A 81 -2.665 9.377 -10.318 1.00 0.00 C ATOM 1240 O MET A 81 -2.411 9.644 -11.493 1.00 0.00 O ATOM 1241 CB MET A 81 -0.800 9.461 -8.638 1.00 0.00 C ATOM 1242 CG MET A 81 0.348 9.388 -9.633 1.00 0.00 C ATOM 1243 SD MET A 81 1.787 8.520 -8.972 1.00 0.00 S ATOM 1244 CE MET A 81 2.128 9.483 -7.499 1.00 0.00 C ATOM 0 H MET A 81 -2.853 9.806 -7.277 1.00 0.00 H new ATOM 0 HA MET A 81 -1.740 11.155 -9.553 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.457 9.974 -7.739 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.076 8.449 -8.342 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.008 8.884 -10.538 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.639 10.398 -9.921 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.162 9.326 -7.193 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.968 10.540 -7.711 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.461 9.169 -6.696 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.509 8.413 -9.955 1.00 0.00 N ATOM 1255 CA LEU A 82 -4.179 7.555 -10.931 1.00 0.00 C ATOM 1256 C LEU A 82 -5.261 8.320 -11.692 1.00 0.00 C ATOM 1257 O LEU A 82 -5.557 8.012 -12.845 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.813 6.350 -10.227 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.841 5.440 -9.474 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -4.608 4.398 -8.680 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.883 4.764 -10.439 1.00 0.00 C ATOM 0 H LEU A 82 -3.746 8.205 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.428 7.214 -11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.561 6.715 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.340 5.753 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.260 6.052 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.906 3.756 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.260 4.895 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.210 3.793 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.200 4.121 -9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.448 4.163 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.312 5.522 -10.976 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.844 9.316 -11.032 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.950 10.080 -11.604 1.00 0.00 C ATOM 1275 C GLU A 83 -6.494 10.939 -12.778 1.00 0.00 C ATOM 1276 O GLU A 83 -7.189 11.048 -13.788 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.571 10.989 -10.541 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.040 10.259 -9.296 1.00 0.00 C ATOM 1279 CD GLU A 83 -8.461 11.208 -8.194 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -7.909 12.326 -8.128 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -9.320 10.832 -7.373 1.00 0.00 O ATOM 0 H GLU A 83 -5.568 9.615 -10.097 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.687 9.361 -11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.840 11.744 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.418 11.517 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.877 9.610 -9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.239 9.616 -8.932 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.327 11.546 -12.636 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.885 12.569 -13.574 1.00 0.00 C ATOM 1290 C LYS A 84 -4.185 11.965 -14.785 1.00 0.00 C ATOM 1291 O LYS A 84 -4.451 12.356 -15.923 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.947 13.555 -12.870 1.00 0.00 C ATOM 1293 CG LYS A 84 -4.492 14.072 -11.545 1.00 0.00 C ATOM 1294 CD LYS A 84 -5.870 14.697 -11.704 1.00 0.00 C ATOM 1295 CE LYS A 84 -6.489 15.041 -10.358 1.00 0.00 C ATOM 1296 NZ LYS A 84 -5.722 16.093 -9.641 1.00 0.00 N ATOM 0 H LYS A 84 -4.669 11.350 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.771 13.094 -13.930 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.987 13.069 -12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.759 14.401 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.546 13.251 -10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.804 14.810 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.793 15.599 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.523 14.008 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.514 15.379 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.536 14.143 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.207 16.332 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.766 15.742 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.655 16.942 -10.238 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.304 11.005 -14.546 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.488 10.456 -15.613 1.00 0.00 C ATOM 1312 C GLU A 85 -3.208 9.306 -16.315 1.00 0.00 C ATOM 1313 O GLU A 85 -3.520 8.283 -15.705 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.138 10.007 -15.061 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.134 9.655 -16.140 1.00 0.00 C ATOM 1316 CD GLU A 85 1.294 9.783 -15.664 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.804 10.929 -15.611 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.917 8.756 -15.345 1.00 0.00 O ATOM 0 H GLU A 85 -3.138 10.594 -13.628 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.314 11.235 -16.356 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.727 10.801 -14.437 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.287 9.140 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.311 8.634 -16.478 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.287 10.306 -17.001 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.455 9.486 -17.610 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.224 8.528 -18.401 1.00 0.00 C ATOM 1327 C ASP A 86 -3.518 7.179 -18.498 1.00 0.00 C ATOM 1328 O ASP A 86 -4.166 6.146 -18.664 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.480 9.076 -19.808 1.00 0.00 C ATOM 1330 CG ASP A 86 -3.225 9.120 -20.658 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -2.376 10.010 -20.433 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -3.087 8.274 -21.565 1.00 0.00 O ATOM 0 H ASP A 86 -3.130 10.295 -18.139 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.175 8.378 -17.891 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.228 8.457 -20.304 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.897 10.080 -19.732 1.00 0.00 H new ATOM 1337 N SER A 87 -2.193 7.192 -18.374 1.00 0.00 N ATOM 1338 CA SER A 87 -1.403 5.968 -18.434 1.00 0.00 C ATOM 1339 C SER A 87 -1.813 5.005 -17.321 1.00 0.00 C ATOM 1340 O SER A 87 -1.634 3.794 -17.438 1.00 0.00 O ATOM 1341 CB SER A 87 0.091 6.298 -18.325 1.00 0.00 C ATOM 1342 OG SER A 87 0.896 5.139 -18.497 1.00 0.00 O ATOM 0 H SER A 87 -1.644 8.040 -18.231 1.00 0.00 H new ATOM 0 HA SER A 87 -1.590 5.484 -19.393 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.356 7.041 -19.077 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.296 6.743 -17.351 1.00 0.00 H new ATOM 0 HG SER A 87 1.842 5.384 -18.423 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.367 5.551 -16.244 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.802 4.738 -15.117 1.00 0.00 C ATOM 1350 C TYR A 88 -4.311 4.513 -15.152 1.00 0.00 C ATOM 1351 O TYR A 88 -4.814 3.539 -14.594 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.416 5.407 -13.795 1.00 0.00 C ATOM 1353 CG TYR A 88 -0.927 5.573 -13.599 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.044 4.567 -13.966 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -0.406 6.731 -13.039 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.316 4.712 -13.785 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.954 6.883 -12.854 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.810 5.869 -13.228 1.00 0.00 C ATOM 1359 OH TYR A 88 3.163 6.012 -13.047 1.00 0.00 O ATOM 0 H TYR A 88 -2.525 6.552 -16.129 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.303 3.772 -15.193 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.890 6.387 -13.744 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.816 4.817 -12.971 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.428 3.656 -14.400 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.075 7.526 -12.743 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.990 3.921 -14.079 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.345 7.791 -12.419 1.00 0.00 H new ATOM 0 HH TYR A 88 3.577 6.299 -13.888 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.021 5.406 -15.835 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.481 5.395 -15.842 1.00 0.00 C ATOM 1371 C GLN A 89 -7.028 4.186 -16.606 1.00 0.00 C ATOM 1372 O GLN A 89 -8.206 3.849 -16.495 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.007 6.699 -16.449 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.498 6.923 -16.246 1.00 0.00 C ATOM 1375 CD GLN A 89 -8.968 8.257 -16.789 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -9.354 8.366 -17.954 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -8.937 9.283 -15.955 1.00 0.00 N ATOM 0 H GLN A 89 -4.606 6.151 -16.394 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.827 5.315 -14.812 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.462 7.536 -16.012 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.792 6.702 -17.518 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.052 6.121 -16.735 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.728 6.867 -15.182 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.611 9.152 -14.998 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.240 10.205 -16.269 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.161 3.530 -17.372 1.00 0.00 N ATOM 1387 CA ASP A 90 -6.543 2.330 -18.115 1.00 0.00 C ATOM 1388 C ASP A 90 -7.011 1.222 -17.170 1.00 0.00 C ATOM 1389 O ASP A 90 -7.990 0.526 -17.443 1.00 0.00 O ATOM 1390 CB ASP A 90 -5.369 1.830 -18.963 1.00 0.00 C ATOM 1391 CG ASP A 90 -5.695 0.552 -19.711 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -6.474 0.608 -20.687 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -5.167 -0.517 -19.329 1.00 0.00 O ATOM 0 H ASP A 90 -5.188 3.809 -17.495 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.371 2.594 -18.772 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.086 2.603 -19.677 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.506 1.660 -18.319 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.316 1.077 -16.049 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.663 0.064 -15.059 1.00 0.00 C ATOM 1400 C VAL A 91 -7.304 0.709 -13.832 1.00 0.00 C ATOM 1401 O VAL A 91 -7.558 0.048 -12.823 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.427 -0.753 -14.620 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.921 -1.618 -15.763 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.321 0.170 -14.129 1.00 0.00 C ATOM 0 H VAL A 91 -5.508 1.648 -15.802 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.375 -0.614 -15.530 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.726 -1.405 -13.799 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.051 -2.185 -15.433 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.706 -2.307 -16.073 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.643 -0.983 -16.604 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.460 -0.424 -13.824 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.029 0.847 -14.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.681 0.749 -13.279 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.572 2.000 -13.939 1.00 0.00 N ATOM 1415 CA TYR A 92 -8.158 2.757 -12.846 1.00 0.00 C ATOM 1416 C TYR A 92 -9.655 2.940 -13.074 1.00 0.00 C ATOM 1417 O TYR A 92 -10.092 3.237 -14.187 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.454 4.113 -12.712 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.065 5.037 -11.682 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.980 4.755 -10.323 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.722 6.193 -12.073 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.539 5.601 -9.384 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.282 7.045 -11.142 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.189 6.746 -9.800 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.755 7.590 -8.873 1.00 0.00 O ATOM 0 H TYR A 92 -7.391 2.549 -14.779 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.022 2.205 -11.916 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.409 3.942 -12.454 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.465 4.612 -13.681 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.469 3.861 -9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.797 6.431 -13.124 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.468 5.368 -8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.791 7.942 -11.464 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.101 7.792 -8.172 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.433 2.752 -12.017 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.886 2.837 -12.105 1.00 0.00 C ATOM 1437 C LEU A 93 -12.360 4.289 -12.062 1.00 0.00 C ATOM 1438 O LEU A 93 -12.839 4.823 -13.062 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.549 2.032 -10.977 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.466 0.502 -11.107 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -11.031 0.011 -11.005 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -13.322 -0.173 -10.048 1.00 0.00 C ATOM 0 H LEU A 93 -10.081 2.539 -11.084 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.182 2.409 -13.063 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.091 2.323 -10.032 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.600 2.316 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.846 0.237 -12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.010 -1.075 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.436 0.457 -11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.616 0.298 -10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -13.250 -1.255 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.971 0.116 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -14.361 0.135 -10.169 1.00 0.00 H new ATOM 1454 N GLY A 94 -12.218 4.923 -10.906 1.00 0.00 N ATOM 1455 CA GLY A 94 -12.655 6.299 -10.758 1.00 0.00 C ATOM 1456 C GLY A 94 -13.242 6.559 -9.390 1.00 0.00 C ATOM 1457 O GLY A 94 -14.343 6.105 -9.086 1.00 0.00 O ATOM 0 H GLY A 94 -11.808 4.510 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.811 6.968 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.398 6.528 -11.522 1.00 0.00 H new ATOM 1461 N LEU A 95 -12.503 7.281 -8.560 1.00 0.00 N ATOM 1462 CA LEU A 95 -12.927 7.546 -7.192 1.00 0.00 C ATOM 1463 C LEU A 95 -13.370 8.996 -7.013 1.00 0.00 C ATOM 1464 O LEU A 95 -13.284 9.551 -5.917 1.00 0.00 O ATOM 1465 CB LEU A 95 -11.795 7.208 -6.218 1.00 0.00 C ATOM 1466 CG LEU A 95 -11.359 5.740 -6.224 1.00 0.00 C ATOM 1467 CD1 LEU A 95 -10.231 5.512 -5.232 1.00 0.00 C ATOM 1468 CD2 LEU A 95 -12.537 4.829 -5.910 1.00 0.00 C ATOM 0 H LEU A 95 -11.605 7.695 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.786 6.911 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.932 7.830 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.111 7.474 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.993 5.497 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.936 4.463 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.378 6.134 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.569 5.775 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.206 3.790 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -12.935 5.075 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.315 4.969 -6.660 1.00 0.00 H new ATOM 1480 N GLU A 96 -13.854 9.604 -8.087 1.00 0.00 N ATOM 1481 CA GLU A 96 -14.432 10.938 -8.004 1.00 0.00 C ATOM 1482 C GLU A 96 -15.793 10.963 -8.688 1.00 0.00 C ATOM 1483 O GLU A 96 -16.833 10.905 -8.032 1.00 0.00 O ATOM 1484 CB GLU A 96 -13.522 11.988 -8.648 1.00 0.00 C ATOM 1485 CG GLU A 96 -14.016 13.410 -8.430 1.00 0.00 C ATOM 1486 CD GLU A 96 -13.745 14.320 -9.609 1.00 0.00 C ATOM 1487 OE1 GLU A 96 -12.651 14.911 -9.677 1.00 0.00 O ATOM 1488 OE2 GLU A 96 -14.637 14.455 -10.472 1.00 0.00 O ATOM 0 H GLU A 96 -13.858 9.197 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.543 11.182 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.516 11.891 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.451 11.793 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.088 13.390 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.537 13.823 -7.542 1.00 0.00 H new ATOM 1495 N HIS A 97 -15.778 11.035 -10.013 1.00 0.00 N ATOM 1496 CA HIS A 97 -17.005 11.096 -10.795 1.00 0.00 C ATOM 1497 C HIS A 97 -16.868 10.314 -12.085 1.00 0.00 C ATOM 1498 O HIS A 97 -16.167 10.734 -13.002 1.00 0.00 O ATOM 1499 CB HIS A 97 -17.379 12.543 -11.135 1.00 0.00 C ATOM 1500 CG HIS A 97 -17.941 13.317 -9.987 1.00 0.00 C ATOM 1501 ND1 HIS A 97 -17.296 14.385 -9.413 1.00 0.00 N ATOM 1502 CD2 HIS A 97 -19.112 13.183 -9.322 1.00 0.00 C ATOM 1503 CE1 HIS A 97 -18.042 14.873 -8.441 1.00 0.00 C ATOM 1504 NE2 HIS A 97 -19.153 14.163 -8.364 1.00 0.00 N ATOM 0 H HIS A 97 -14.924 11.053 -10.571 1.00 0.00 H new ATOM 0 HA HIS A 97 -17.792 10.655 -10.182 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -16.493 13.058 -11.506 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -18.107 12.537 -11.946 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -16.384 14.744 -9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.874 12.441 -9.511 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -17.787 15.713 -7.813 1.00 0.00 H new ATOM 1513 N HIS A 98 -17.524 9.171 -12.143 1.00 0.00 N ATOM 1514 CA HIS A 98 -17.641 8.434 -13.390 1.00 0.00 C ATOM 1515 C HIS A 98 -19.087 8.528 -13.860 1.00 0.00 C ATOM 1516 O HIS A 98 -19.477 7.974 -14.888 1.00 0.00 O ATOM 1517 CB HIS A 98 -17.210 6.975 -13.205 1.00 0.00 C ATOM 1518 CG HIS A 98 -16.752 6.325 -14.473 1.00 0.00 C ATOM 1519 ND1 HIS A 98 -15.455 6.409 -14.927 1.00 0.00 N ATOM 1520 CD2 HIS A 98 -17.423 5.588 -15.389 1.00 0.00 C ATOM 1521 CE1 HIS A 98 -15.348 5.756 -16.068 1.00 0.00 C ATOM 1522 NE2 HIS A 98 -16.530 5.246 -16.374 1.00 0.00 N ATOM 0 H HIS A 98 -17.983 8.732 -11.345 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.981 8.864 -14.143 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.404 6.932 -12.472 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.045 6.407 -12.795 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.468 5.319 -15.352 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.447 5.655 -16.654 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -16.742 4.691 -17.203 1.00 0.00 H new ATOM 1531 N HIS A 99 -19.865 9.256 -13.070 1.00 0.00 N ATOM 1532 CA HIS A 99 -21.265 9.537 -13.349 1.00 0.00 C ATOM 1533 C HIS A 99 -21.762 10.562 -12.340 1.00 0.00 C ATOM 1534 O HIS A 99 -21.151 10.730 -11.284 1.00 0.00 O ATOM 1535 CB HIS A 99 -22.123 8.261 -13.282 1.00 0.00 C ATOM 1536 CG HIS A 99 -22.009 7.494 -11.992 1.00 0.00 C ATOM 1537 ND1 HIS A 99 -21.318 6.309 -11.884 1.00 0.00 N ATOM 1538 CD2 HIS A 99 -22.512 7.744 -10.758 1.00 0.00 C ATOM 1539 CE1 HIS A 99 -21.397 5.864 -10.646 1.00 0.00 C ATOM 1540 NE2 HIS A 99 -22.118 6.715 -9.940 1.00 0.00 N ATOM 0 H HIS A 99 -19.533 9.675 -12.201 1.00 0.00 H new ATOM 0 HA HIS A 99 -21.353 9.930 -14.362 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -23.167 8.533 -13.436 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -21.840 7.605 -14.105 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.112 8.595 -10.472 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -20.948 4.956 -10.272 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.345 6.623 -8.950 1.00 0.00 H new ATOM 1549 N HIS A 100 -22.849 11.248 -12.660 1.00 0.00 N ATOM 1550 CA HIS A 100 -23.431 12.210 -11.732 1.00 0.00 C ATOM 1551 C HIS A 100 -24.344 11.466 -10.769 1.00 0.00 C ATOM 1552 O HIS A 100 -23.967 11.173 -9.637 1.00 0.00 O ATOM 1553 CB HIS A 100 -24.207 13.293 -12.496 1.00 0.00 C ATOM 1554 CG HIS A 100 -24.492 14.531 -11.696 1.00 0.00 C ATOM 1555 ND1 HIS A 100 -23.994 15.770 -12.036 1.00 0.00 N ATOM 1556 CD2 HIS A 100 -25.234 14.723 -10.579 1.00 0.00 C ATOM 1557 CE1 HIS A 100 -24.418 16.667 -11.169 1.00 0.00 C ATOM 1558 NE2 HIS A 100 -25.175 16.062 -10.272 1.00 0.00 N ATOM 0 H HIS A 100 -23.344 11.159 -13.548 1.00 0.00 H new ATOM 0 HA HIS A 100 -22.640 12.707 -11.171 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -23.640 13.571 -13.384 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -25.152 12.872 -12.840 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -25.773 13.964 -10.031 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -24.185 17.721 -11.189 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -25.639 16.513 -9.483 1.00 0.00 H new ATOM 1567 N HIS A 101 -25.537 11.150 -11.237 1.00 0.00 N ATOM 1568 CA HIS A 101 -26.439 10.268 -10.516 1.00 0.00 C ATOM 1569 C HIS A 101 -27.091 9.315 -11.509 1.00 0.00 C ATOM 1570 O HIS A 101 -27.545 8.231 -11.153 1.00 0.00 O ATOM 1571 CB HIS A 101 -27.498 11.068 -9.754 1.00 0.00 C ATOM 1572 CG HIS A 101 -28.148 10.290 -8.648 1.00 0.00 C ATOM 1573 ND1 HIS A 101 -29.514 10.166 -8.509 1.00 0.00 N ATOM 1574 CD2 HIS A 101 -27.606 9.611 -7.607 1.00 0.00 C ATOM 1575 CE1 HIS A 101 -29.780 9.440 -7.439 1.00 0.00 C ATOM 1576 NE2 HIS A 101 -28.643 9.094 -6.875 1.00 0.00 N ATOM 0 H HIS A 101 -25.908 11.495 -12.123 1.00 0.00 H new ATOM 0 HA HIS A 101 -25.873 9.697 -9.779 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -27.037 11.963 -9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -28.265 11.401 -10.454 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -26.553 9.499 -7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -30.766 9.175 -7.086 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -28.548 8.532 -6.029 1.00 0.00 H new ATOM 1585 N HIS A 102 -27.141 9.752 -12.760 1.00 0.00 N ATOM 1586 CA HIS A 102 -27.559 8.904 -13.864 1.00 0.00 C ATOM 1587 C HIS A 102 -26.473 8.911 -14.928 1.00 0.00 C ATOM 1588 O HIS A 102 -25.738 7.913 -15.034 1.00 0.00 O ATOM 1589 CB HIS A 102 -28.880 9.384 -14.467 1.00 0.00 C ATOM 1590 CG HIS A 102 -30.035 9.342 -13.518 1.00 0.00 C ATOM 1591 ND1 HIS A 102 -30.824 8.229 -13.345 1.00 0.00 N ATOM 1592 CD2 HIS A 102 -30.531 10.286 -12.685 1.00 0.00 C ATOM 1593 CE1 HIS A 102 -31.758 8.489 -12.452 1.00 0.00 C ATOM 1594 NE2 HIS A 102 -31.603 9.732 -12.032 1.00 0.00 N ATOM 1595 OXT HIS A 102 -26.333 9.944 -15.619 1.00 0.00 O ATOM 0 H HIS A 102 -26.893 10.702 -13.036 1.00 0.00 H new ATOM 0 HA HIS A 102 -27.714 7.892 -13.489 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -28.754 10.406 -14.824 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -29.115 8.769 -15.336 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -30.153 11.290 -12.558 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -32.522 7.801 -12.120 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -32.184 10.202 -11.338 1.00 0.00 H new TER 1604 HIS A 102