USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 Single : A 8 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.1!) USER MOD Single : A 13 SER OG : rot 46:sc= 0.453 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.87! C(o=-6.9!,f=-17!) USER MOD Single : A 19 TYR OH : rot -114:sc= -2.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.406 USER MOD Single : A 25 GLN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0115 X(o=-0.012,f=0.02) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= 0.595! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 4:sc= 0.677 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.122 K(o=-0.12,f=-3.1!) USER MOD Single : A 82 CYS SG : rot -111:sc= -2.32! USER MOD Single : A 84 GLN : amide:sc= -0.502 K(o=-0.5,f=-3.3!) USER MOD Single : A 85 ASN : amide:sc= -2.34! C(o=-2.3!,f=-2.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -140:sc= -0.151 USER MOD Single : A 95 SER OG : rot -66:sc= 0.846 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.172 -0.500 -2.377 1.00 0.00 C ATOM 4 O LEU A 7 -0.045 -0.335 -2.324 1.00 0.00 O ATOM 5 CB LEU A 7 3.369 -0.800 -1.092 1.00 0.00 C ATOM 6 CG LEU A 7 4.219 -0.470 0.136 1.00 0.00 C ATOM 7 CD1 LEU A 7 5.624 -1.060 0.005 1.00 0.00 C ATOM 8 CD2 LEU A 7 4.253 1.039 0.390 1.00 0.00 C ATOM 0 HA LEU A 7 2.380 1.013 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.117 -1.860 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.977 -0.643 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 7 3.755 -0.933 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.207 -0.811 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.556 -2.144 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.111 -0.647 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.864 1.246 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.680 1.544 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.239 1.402 0.559 1.00 0.00 H new ATOM 20 N SER A 8 1.806 -1.100 -3.374 1.00 0.00 N ATOM 21 CA SER A 8 1.077 -1.624 -4.516 1.00 0.00 C ATOM 22 C SER A 8 -0.236 -2.259 -4.052 1.00 0.00 C ATOM 23 O SER A 8 -0.345 -2.703 -2.911 1.00 0.00 O ATOM 24 CB SER A 8 1.918 -2.646 -5.284 1.00 0.00 C ATOM 25 OG SER A 8 3.306 -2.322 -5.259 1.00 0.00 O ATOM 0 H SER A 8 2.816 -1.235 -3.414 1.00 0.00 H new ATOM 0 HA SER A 8 0.855 -0.796 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.769 -3.636 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.575 -2.694 -6.318 1.00 0.00 H new ATOM 0 HG SER A 8 3.809 -2.999 -5.758 1.00 0.00 H new ATOM 31 N LEU A 9 -1.199 -2.281 -4.962 1.00 0.00 N ATOM 32 CA LEU A 9 -2.500 -2.853 -4.661 1.00 0.00 C ATOM 33 C LEU A 9 -2.312 -4.128 -3.835 1.00 0.00 C ATOM 34 O LEU A 9 -3.114 -4.421 -2.949 1.00 0.00 O ATOM 35 CB LEU A 9 -3.302 -3.066 -5.946 1.00 0.00 C ATOM 36 CG LEU A 9 -3.470 -1.838 -6.843 1.00 0.00 C ATOM 37 CD1 LEU A 9 -4.652 -2.013 -7.798 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.592 -0.561 -6.008 1.00 0.00 C ATOM 0 H LEU A 9 -1.104 -1.912 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.089 -2.164 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.819 -3.852 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.292 -3.432 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.574 -1.738 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.749 -1.126 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.484 -2.886 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.567 -2.152 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.710 0.297 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.460 -0.636 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.693 -0.433 -5.406 1.00 0.00 H new ATOM 50 N THR A 10 -1.249 -4.851 -4.155 1.00 0.00 N ATOM 51 CA THR A 10 -0.947 -6.087 -3.454 1.00 0.00 C ATOM 52 C THR A 10 -0.844 -5.835 -1.948 1.00 0.00 C ATOM 53 O THR A 10 -1.493 -6.515 -1.155 1.00 0.00 O ATOM 54 CB THR A 10 0.330 -6.674 -4.060 1.00 0.00 C ATOM 55 OG1 THR A 10 -0.090 -7.188 -5.321 1.00 0.00 O ATOM 56 CG2 THR A 10 0.825 -7.907 -3.301 1.00 0.00 C ATOM 0 H THR A 10 -0.586 -4.605 -4.890 1.00 0.00 H new ATOM 0 HA THR A 10 -1.748 -6.816 -3.576 1.00 0.00 H new ATOM 0 HB THR A 10 1.112 -5.914 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.677 -7.586 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.733 -8.284 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.038 -7.636 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.057 -8.680 -3.323 1.00 0.00 H new ATOM 64 N GLN A 11 -0.023 -4.855 -1.600 1.00 0.00 N ATOM 65 CA GLN A 11 0.173 -4.504 -0.203 1.00 0.00 C ATOM 66 C GLN A 11 -1.028 -3.714 0.320 1.00 0.00 C ATOM 67 O GLN A 11 -1.384 -3.822 1.492 1.00 0.00 O ATOM 68 CB GLN A 11 1.472 -3.718 -0.013 1.00 0.00 C ATOM 69 CG GLN A 11 2.523 -4.562 0.711 1.00 0.00 C ATOM 70 CD GLN A 11 3.284 -3.726 1.742 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.890 -2.629 2.101 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.392 -4.304 2.196 1.00 0.00 N ATOM 0 H GLN A 11 0.514 -4.293 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 11 0.256 -5.425 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.857 -3.405 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.272 -2.811 0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.040 -5.404 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.223 -4.977 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.664 -5.225 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.970 -3.826 2.888 1.00 0.00 H new ATOM 81 N LEU A 12 -1.620 -2.937 -0.576 1.00 0.00 N ATOM 82 CA LEU A 12 -2.773 -2.129 -0.220 1.00 0.00 C ATOM 83 C LEU A 12 -3.803 -3.005 0.496 1.00 0.00 C ATOM 84 O LEU A 12 -4.441 -2.565 1.451 1.00 0.00 O ATOM 85 CB LEU A 12 -3.327 -1.412 -1.453 1.00 0.00 C ATOM 86 CG LEU A 12 -3.981 -0.052 -1.201 1.00 0.00 C ATOM 87 CD1 LEU A 12 -5.060 -0.154 -0.121 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.931 1.008 -0.863 1.00 0.00 C ATOM 0 H LEU A 12 -1.322 -2.850 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.485 -1.341 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.513 -1.275 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.061 -2.063 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.474 0.265 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.509 0.826 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.829 -0.857 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.612 -0.504 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.423 1.965 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.389 0.710 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.232 1.106 -1.694 1.00 0.00 H new ATOM 100 N SER A 13 -3.933 -4.230 0.007 1.00 0.00 N ATOM 101 CA SER A 13 -4.875 -5.172 0.588 1.00 0.00 C ATOM 102 C SER A 13 -4.620 -6.575 0.033 1.00 0.00 C ATOM 103 O SER A 13 -5.499 -7.169 -0.590 1.00 0.00 O ATOM 104 CB SER A 13 -6.319 -4.747 0.314 1.00 0.00 C ATOM 105 OG SER A 13 -6.896 -4.071 1.428 1.00 0.00 O ATOM 0 H SER A 13 -3.402 -4.592 -0.785 1.00 0.00 H new ATOM 0 HA SER A 13 -4.727 -5.182 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.346 -4.095 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.917 -5.626 0.074 1.00 0.00 H new ATOM 0 HG SER A 13 -6.265 -3.403 1.768 1.00 0.00 H new ATOM 111 N SER A 14 -3.414 -7.064 0.279 1.00 0.00 N ATOM 112 CA SER A 14 -3.033 -8.386 -0.188 1.00 0.00 C ATOM 113 C SER A 14 -3.495 -8.584 -1.633 1.00 0.00 C ATOM 114 O SER A 14 -3.725 -9.712 -2.066 1.00 0.00 O ATOM 115 CB SER A 14 -3.619 -9.478 0.711 1.00 0.00 C ATOM 116 OG SER A 14 -2.603 -10.272 1.317 1.00 0.00 O ATOM 0 H SER A 14 -2.688 -6.568 0.796 1.00 0.00 H new ATOM 0 HA SER A 14 -1.947 -8.463 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.232 -9.019 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.277 -10.118 0.123 1.00 0.00 H new ATOM 0 HG SER A 14 -3.017 -10.956 1.884 1.00 0.00 H new ATOM 122 N GLY A 15 -3.617 -7.470 -2.339 1.00 0.00 N ATOM 123 CA GLY A 15 -4.048 -7.507 -3.726 1.00 0.00 C ATOM 124 C GLY A 15 -5.532 -7.861 -3.831 1.00 0.00 C ATOM 125 O GLY A 15 -5.906 -8.775 -4.565 1.00 0.00 O ATOM 0 H GLY A 15 -3.425 -6.536 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.868 -6.538 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.456 -8.240 -4.275 1.00 0.00 H new ATOM 129 N ASN A 16 -6.339 -7.120 -3.085 1.00 0.00 N ATOM 130 CA ASN A 16 -7.774 -7.345 -3.085 1.00 0.00 C ATOM 131 C ASN A 16 -8.415 -6.525 -4.206 1.00 0.00 C ATOM 132 O ASN A 16 -8.370 -5.296 -4.186 1.00 0.00 O ATOM 133 CB ASN A 16 -8.400 -6.904 -1.760 1.00 0.00 C ATOM 134 CG ASN A 16 -9.747 -7.594 -1.533 1.00 0.00 C ATOM 135 OD1 ASN A 16 -10.434 -7.991 -2.460 1.00 0.00 O ATOM 136 ND2 ASN A 16 -10.084 -7.714 -0.252 1.00 0.00 N ATOM 0 H ASN A 16 -6.026 -6.364 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.948 -8.411 -3.230 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.724 -7.139 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.537 -5.823 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.965 -8.161 0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.462 -7.359 0.474 1.00 0.00 H new ATOM 143 N PRO A 17 -9.012 -7.258 -5.184 1.00 0.00 N ATOM 144 CA PRO A 17 -9.661 -6.612 -6.312 1.00 0.00 C ATOM 145 C PRO A 17 -11.004 -6.005 -5.899 1.00 0.00 C ATOM 146 O PRO A 17 -11.584 -5.212 -6.638 1.00 0.00 O ATOM 147 CB PRO A 17 -9.800 -7.701 -7.363 1.00 0.00 C ATOM 148 CG PRO A 17 -9.651 -9.019 -6.619 1.00 0.00 C ATOM 149 CD PRO A 17 -9.085 -8.715 -5.242 1.00 0.00 C ATOM 0 HA PRO A 17 -9.087 -5.771 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.767 -7.641 -7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.037 -7.599 -8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.615 -9.520 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.989 -9.692 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.726 -9.111 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.102 -9.166 -5.110 1.00 0.00 H new ATOM 157 N VAL A 18 -11.458 -6.401 -4.719 1.00 0.00 N ATOM 158 CA VAL A 18 -12.721 -5.907 -4.198 1.00 0.00 C ATOM 159 C VAL A 18 -12.781 -4.388 -4.376 1.00 0.00 C ATOM 160 O VAL A 18 -13.832 -3.838 -4.701 1.00 0.00 O ATOM 161 CB VAL A 18 -12.895 -6.346 -2.743 1.00 0.00 C ATOM 162 CG1 VAL A 18 -11.856 -5.678 -1.841 1.00 0.00 C ATOM 163 CG2 VAL A 18 -14.315 -6.059 -2.250 1.00 0.00 C ATOM 0 H VAL A 18 -10.973 -7.059 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.556 -6.333 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.736 -7.423 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.002 -6.007 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.855 -5.955 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.970 -4.595 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.412 -6.381 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.515 -4.990 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.031 -6.602 -2.867 1.00 0.00 H new ATOM 173 N TYR A 19 -11.639 -3.753 -4.154 1.00 0.00 N ATOM 174 CA TYR A 19 -11.548 -2.309 -4.285 1.00 0.00 C ATOM 175 C TYR A 19 -11.761 -1.876 -5.737 1.00 0.00 C ATOM 176 O TYR A 19 -12.438 -0.883 -6.000 1.00 0.00 O ATOM 177 CB TYR A 19 -10.128 -1.935 -3.857 1.00 0.00 C ATOM 178 CG TYR A 19 -9.985 -1.650 -2.360 1.00 0.00 C ATOM 179 CD1 TYR A 19 -10.215 -0.378 -1.875 1.00 0.00 C ATOM 180 CD2 TYR A 19 -9.625 -2.664 -1.496 1.00 0.00 C ATOM 181 CE1 TYR A 19 -10.080 -0.110 -0.466 1.00 0.00 C ATOM 182 CE2 TYR A 19 -9.490 -2.396 -0.088 1.00 0.00 C ATOM 183 CZ TYR A 19 -9.724 -1.132 0.358 1.00 0.00 C ATOM 184 OH TYR A 19 -9.597 -0.879 1.688 1.00 0.00 O ATOM 0 H TYR A 19 -10.769 -4.212 -3.884 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.310 -1.820 -3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.452 -2.746 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.811 -1.055 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.496 0.416 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.445 -3.659 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.257 0.880 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.209 -3.181 0.599 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.660 -0.987 1.953 1.00 0.00 H new ATOM 194 N GLU A 20 -11.170 -2.642 -6.642 1.00 0.00 N ATOM 195 CA GLU A 20 -11.285 -2.350 -8.061 1.00 0.00 C ATOM 196 C GLU A 20 -12.758 -2.261 -8.466 1.00 0.00 C ATOM 197 O GLU A 20 -13.136 -1.402 -9.262 1.00 0.00 O ATOM 198 CB GLU A 20 -10.549 -3.397 -8.898 1.00 0.00 C ATOM 199 CG GLU A 20 -9.429 -2.755 -9.719 1.00 0.00 C ATOM 200 CD GLU A 20 -9.817 -2.659 -11.196 1.00 0.00 C ATOM 201 OE1 GLU A 20 -10.907 -2.164 -11.520 1.00 0.00 O ATOM 202 OE2 GLU A 20 -8.940 -3.120 -12.021 1.00 0.00 O ATOM 0 H GLU A 20 -10.610 -3.465 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.816 -1.385 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.132 -4.163 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.253 -3.896 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.213 -1.760 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.516 -3.342 -9.617 1.00 0.00 H new ATOM 210 N LYS A 21 -13.550 -3.159 -7.900 1.00 0.00 N ATOM 211 CA LYS A 21 -14.973 -3.193 -8.192 1.00 0.00 C ATOM 212 C LYS A 21 -15.531 -1.769 -8.153 1.00 0.00 C ATOM 213 O LYS A 21 -16.210 -1.338 -9.084 1.00 0.00 O ATOM 214 CB LYS A 21 -15.691 -4.161 -7.250 1.00 0.00 C ATOM 215 CG LYS A 21 -15.302 -5.610 -7.552 1.00 0.00 C ATOM 216 CD LYS A 21 -16.523 -6.426 -7.983 1.00 0.00 C ATOM 217 CE LYS A 21 -16.143 -7.885 -8.241 1.00 0.00 C ATOM 218 NZ LYS A 21 -16.457 -8.720 -7.059 1.00 0.00 N ATOM 0 H LYS A 21 -13.233 -3.869 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.146 -3.577 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.441 -3.921 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.770 -4.041 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.549 -5.632 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.852 -6.061 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.289 -6.377 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.954 -5.993 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.682 -8.259 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.080 -7.955 -8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.193 -9.707 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.923 -8.373 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.476 -8.667 -6.858 1.00 0.00 H new ATOM 229 N TYR A 22 -15.224 -1.077 -7.065 1.00 0.00 N ATOM 230 CA TYR A 22 -15.687 0.289 -6.892 1.00 0.00 C ATOM 231 C TYR A 22 -14.972 1.237 -7.857 1.00 0.00 C ATOM 232 O TYR A 22 -15.598 2.113 -8.450 1.00 0.00 O ATOM 233 CB TYR A 22 -15.328 0.677 -5.456 1.00 0.00 C ATOM 234 CG TYR A 22 -15.808 -0.323 -4.402 1.00 0.00 C ATOM 235 CD1 TYR A 22 -17.093 -0.821 -4.460 1.00 0.00 C ATOM 236 CD2 TYR A 22 -14.955 -0.727 -3.395 1.00 0.00 C ATOM 237 CE1 TYR A 22 -17.545 -1.763 -3.468 1.00 0.00 C ATOM 238 CE2 TYR A 22 -15.407 -1.668 -2.404 1.00 0.00 C ATOM 239 CZ TYR A 22 -16.680 -2.140 -2.489 1.00 0.00 C ATOM 240 OH TYR A 22 -17.107 -3.029 -1.552 1.00 0.00 O ATOM 0 H TYR A 22 -14.660 -1.437 -6.295 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.757 0.359 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -14.246 0.780 -5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -15.757 1.655 -5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -17.760 -0.505 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.949 -0.337 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -18.549 -2.161 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.750 -1.992 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 22 -16.383 -3.207 -0.916 1.00 0.00 H new ATOM 250 N TYR A 23 -13.670 1.028 -7.985 1.00 0.00 N ATOM 251 CA TYR A 23 -12.863 1.852 -8.869 1.00 0.00 C ATOM 252 C TYR A 23 -13.442 1.868 -10.284 1.00 0.00 C ATOM 253 O TYR A 23 -13.281 2.846 -11.014 1.00 0.00 O ATOM 254 CB TYR A 23 -11.478 1.202 -8.904 1.00 0.00 C ATOM 255 CG TYR A 23 -10.414 2.041 -9.615 1.00 0.00 C ATOM 256 CD1 TYR A 23 -10.437 3.417 -9.508 1.00 0.00 C ATOM 257 CD2 TYR A 23 -9.433 1.423 -10.362 1.00 0.00 C ATOM 258 CE1 TYR A 23 -9.436 4.207 -10.177 1.00 0.00 C ATOM 259 CE2 TYR A 23 -8.432 2.213 -11.031 1.00 0.00 C ATOM 260 CZ TYR A 23 -8.483 3.566 -10.905 1.00 0.00 C ATOM 261 OH TYR A 23 -7.537 4.312 -11.537 1.00 0.00 O ATOM 0 H TYR A 23 -13.154 0.300 -7.491 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.833 2.882 -8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.152 1.011 -7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.555 0.235 -9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -11.205 3.901 -8.923 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.416 0.346 -10.445 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.442 5.284 -10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.659 1.742 -11.619 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.921 3.720 -12.018 1.00 0.00 H new ATOM 271 N ARG A 24 -14.104 0.774 -10.631 1.00 0.00 N ATOM 272 CA ARG A 24 -14.708 0.651 -11.947 1.00 0.00 C ATOM 273 C ARG A 24 -16.081 1.326 -11.966 1.00 0.00 C ATOM 274 O ARG A 24 -16.543 1.773 -13.015 1.00 0.00 O ATOM 275 CB ARG A 24 -14.864 -0.818 -12.345 1.00 0.00 C ATOM 276 CG ARG A 24 -14.988 -0.964 -13.863 1.00 0.00 C ATOM 277 CD ARG A 24 -16.433 -0.749 -14.319 1.00 0.00 C ATOM 278 NE ARG A 24 -17.002 -2.021 -14.815 1.00 0.00 N ATOM 279 CZ ARG A 24 -18.131 -2.110 -15.550 1.00 0.00 C ATOM 280 NH1 ARG A 24 -18.822 -0.998 -15.881 1.00 0.00 N ATOM 281 NH2 ARG A 24 -18.550 -3.300 -15.939 1.00 0.00 N ATOM 0 H ARG A 24 -14.235 -0.035 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.048 1.142 -12.662 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.005 -1.388 -11.990 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.747 -1.238 -11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.336 -0.242 -14.356 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.651 -1.956 -14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.032 -0.372 -13.490 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.466 0.005 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.511 -2.885 -14.587 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.492 -0.083 -15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.674 -1.074 -16.437 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.023 -4.135 -15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.401 -3.384 -16.495 1.00 0.00 H new ATOM 294 N GLN A 25 -16.696 1.378 -10.793 1.00 0.00 N ATOM 295 CA GLN A 25 -18.007 1.991 -10.662 1.00 0.00 C ATOM 296 C GLN A 25 -17.940 3.473 -11.037 1.00 0.00 C ATOM 297 O GLN A 25 -18.890 4.019 -11.596 1.00 0.00 O ATOM 298 CB GLN A 25 -18.558 1.808 -9.247 1.00 0.00 C ATOM 299 CG GLN A 25 -19.544 0.640 -9.189 1.00 0.00 C ATOM 300 CD GLN A 25 -20.899 1.092 -8.642 1.00 0.00 C ATOM 301 OE1 GLN A 25 -21.929 0.972 -9.286 1.00 0.00 O ATOM 302 NE2 GLN A 25 -20.842 1.616 -7.421 1.00 0.00 N ATOM 0 H GLN A 25 -16.311 1.006 -9.925 1.00 0.00 H new ATOM 0 HA GLN A 25 -18.690 1.493 -11.350 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.736 1.630 -8.553 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -19.054 2.724 -8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.673 0.218 -10.186 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.139 -0.151 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.947 1.687 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.694 1.947 -6.968 1.00 0.00 H new ATOM 311 N VAL A 26 -16.808 4.082 -10.715 1.00 0.00 N ATOM 312 CA VAL A 26 -16.604 5.489 -11.012 1.00 0.00 C ATOM 313 C VAL A 26 -16.173 5.642 -12.472 1.00 0.00 C ATOM 314 O VAL A 26 -16.546 6.608 -13.135 1.00 0.00 O ATOM 315 CB VAL A 26 -15.601 6.092 -10.026 1.00 0.00 C ATOM 316 CG1 VAL A 26 -15.700 5.412 -8.659 1.00 0.00 C ATOM 317 CG2 VAL A 26 -14.176 6.013 -10.577 1.00 0.00 C ATOM 0 H VAL A 26 -16.022 3.626 -10.251 1.00 0.00 H new ATOM 0 HA VAL A 26 -17.534 6.043 -10.889 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.851 7.145 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.977 5.859 -7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.705 5.544 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.488 4.348 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.483 6.448 -9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.911 4.970 -10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.118 6.564 -11.516 1.00 0.00 H new ATOM 327 N GLU A 27 -15.393 4.673 -12.929 1.00 0.00 N ATOM 328 CA GLU A 27 -14.907 4.688 -14.298 1.00 0.00 C ATOM 329 C GLU A 27 -16.058 4.962 -15.268 1.00 0.00 C ATOM 330 O GLU A 27 -17.179 4.505 -15.051 1.00 0.00 O ATOM 331 CB GLU A 27 -14.201 3.375 -14.643 1.00 0.00 C ATOM 332 CG GLU A 27 -13.602 3.427 -16.050 1.00 0.00 C ATOM 333 CD GLU A 27 -14.093 2.252 -16.899 1.00 0.00 C ATOM 334 OE1 GLU A 27 -15.000 2.422 -17.727 1.00 0.00 O ATOM 335 OE2 GLU A 27 -13.495 1.131 -16.675 1.00 0.00 O ATOM 0 H GLU A 27 -15.086 3.873 -12.376 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.177 5.492 -14.395 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.413 3.180 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.909 2.549 -14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.875 4.367 -16.531 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.514 3.405 -15.987 1.00 0.00 H new ATOM 343 N ALA A 28 -15.741 5.708 -16.316 1.00 0.00 N ATOM 344 CA ALA A 28 -16.735 6.049 -17.320 1.00 0.00 C ATOM 345 C ALA A 28 -16.373 5.370 -18.642 1.00 0.00 C ATOM 346 O ALA A 28 -15.251 4.894 -18.813 1.00 0.00 O ATOM 347 CB ALA A 28 -16.827 7.570 -17.451 1.00 0.00 C ATOM 0 H ALA A 28 -14.810 6.086 -16.492 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.720 5.687 -17.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.572 7.826 -18.204 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.117 8.001 -16.493 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.858 7.969 -17.750 1.00 0.00 H new ATOM 353 N GLY A 29 -17.343 5.347 -19.544 1.00 0.00 N ATOM 354 CA GLY A 29 -17.140 4.734 -20.846 1.00 0.00 C ATOM 355 C GLY A 29 -16.663 3.288 -20.703 1.00 0.00 C ATOM 356 O GLY A 29 -16.696 2.724 -19.610 1.00 0.00 O ATOM 0 H GLY A 29 -18.272 5.743 -19.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.071 4.759 -21.413 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.406 5.308 -21.412 1.00 0.00 H new ATOM 360 N ASN A 30 -16.229 2.728 -21.823 1.00 0.00 N ATOM 361 CA ASN A 30 -15.745 1.358 -21.836 1.00 0.00 C ATOM 362 C ASN A 30 -14.293 1.339 -22.316 1.00 0.00 C ATOM 363 O ASN A 30 -13.931 0.541 -23.179 1.00 0.00 O ATOM 364 CB ASN A 30 -16.570 0.492 -22.791 1.00 0.00 C ATOM 365 CG ASN A 30 -16.759 -0.918 -22.227 1.00 0.00 C ATOM 366 OD1 ASN A 30 -15.813 -1.649 -21.985 1.00 0.00 O ATOM 367 ND2 ASN A 30 -18.030 -1.257 -22.033 1.00 0.00 N ATOM 0 H ASN A 30 -16.203 3.198 -22.728 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.829 0.961 -20.824 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.543 0.954 -22.958 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.073 0.437 -23.759 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.261 -2.178 -21.660 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.774 -0.596 -22.257 1.00 0.00 H new ATOM 374 N THR A 31 -13.500 2.227 -21.735 1.00 0.00 N ATOM 375 CA THR A 31 -12.094 2.322 -22.093 1.00 0.00 C ATOM 376 C THR A 31 -11.230 1.600 -21.057 1.00 0.00 C ATOM 377 O THR A 31 -10.208 1.009 -21.400 1.00 0.00 O ATOM 378 CB THR A 31 -11.746 3.804 -22.249 1.00 0.00 C ATOM 379 OG1 THR A 31 -12.203 4.397 -21.037 1.00 0.00 O ATOM 380 CG2 THR A 31 -12.575 4.489 -23.336 1.00 0.00 C ATOM 0 H THR A 31 -13.804 2.887 -21.019 1.00 0.00 H new ATOM 0 HA THR A 31 -11.892 1.824 -23.041 1.00 0.00 H new ATOM 0 HB THR A 31 -10.686 3.905 -22.484 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.015 5.359 -21.052 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.288 5.538 -23.405 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.395 4.000 -24.293 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.633 4.418 -23.085 1.00 0.00 H new ATOM 388 N GLY A 32 -11.673 1.672 -19.810 1.00 0.00 N ATOM 389 CA GLY A 32 -10.953 1.033 -18.722 1.00 0.00 C ATOM 390 C GLY A 32 -10.082 2.043 -17.973 1.00 0.00 C ATOM 391 O GLY A 32 -9.037 1.686 -17.431 1.00 0.00 O ATOM 0 H GLY A 32 -12.522 2.163 -19.529 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.662 0.576 -18.031 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.329 0.231 -19.116 1.00 0.00 H new ATOM 395 N ARG A 33 -10.545 3.285 -17.966 1.00 0.00 N ATOM 396 CA ARG A 33 -9.821 4.349 -17.292 1.00 0.00 C ATOM 397 C ARG A 33 -10.782 5.199 -16.458 1.00 0.00 C ATOM 398 O ARG A 33 -11.931 5.405 -16.846 1.00 0.00 O ATOM 399 CB ARG A 33 -9.099 5.248 -18.298 1.00 0.00 C ATOM 400 CG ARG A 33 -7.687 4.732 -18.579 1.00 0.00 C ATOM 401 CD ARG A 33 -6.967 5.626 -19.591 1.00 0.00 C ATOM 402 NE ARG A 33 -6.974 4.987 -20.925 1.00 0.00 N ATOM 403 CZ ARG A 33 -6.893 5.666 -22.090 1.00 0.00 C ATOM 404 NH1 ARG A 33 -6.799 7.012 -22.093 1.00 0.00 N ATOM 405 NH2 ARG A 33 -6.908 4.992 -23.225 1.00 0.00 N ATOM 0 H ARG A 33 -11.412 3.578 -18.416 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.081 3.885 -16.640 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.667 5.289 -19.228 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.048 6.266 -17.911 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.118 4.696 -17.650 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.738 3.712 -18.961 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.456 6.599 -19.642 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.941 5.802 -19.268 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.044 3.970 -20.968 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.789 7.524 -21.211 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.738 7.517 -22.977 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.980 3.975 -23.213 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.848 5.489 -24.114 1.00 0.00 H new ATOM 418 N VAL A 34 -10.276 5.669 -15.327 1.00 0.00 N ATOM 419 CA VAL A 34 -11.075 6.492 -14.435 1.00 0.00 C ATOM 420 C VAL A 34 -10.844 7.968 -14.765 1.00 0.00 C ATOM 421 O VAL A 34 -9.750 8.490 -14.557 1.00 0.00 O ATOM 422 CB VAL A 34 -10.755 6.148 -12.979 1.00 0.00 C ATOM 423 CG1 VAL A 34 -11.387 7.163 -12.024 1.00 0.00 C ATOM 424 CG2 VAL A 34 -11.203 4.724 -12.640 1.00 0.00 C ATOM 0 H VAL A 34 -9.323 5.496 -15.008 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.137 6.290 -14.577 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.673 6.198 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.144 6.895 -10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.998 8.158 -12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.469 7.160 -12.154 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.964 4.505 -11.599 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.279 4.635 -12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.686 4.016 -13.288 1.00 0.00 H new ATOM 434 N LEU A 35 -11.892 8.598 -15.274 1.00 0.00 N ATOM 435 CA LEU A 35 -11.817 10.004 -15.635 1.00 0.00 C ATOM 436 C LEU A 35 -11.465 10.827 -14.395 1.00 0.00 C ATOM 437 O LEU A 35 -11.107 11.999 -14.504 1.00 0.00 O ATOM 438 CB LEU A 35 -13.109 10.450 -16.323 1.00 0.00 C ATOM 439 CG LEU A 35 -12.989 10.821 -17.802 1.00 0.00 C ATOM 440 CD1 LEU A 35 -14.369 11.020 -18.432 1.00 0.00 C ATOM 441 CD2 LEU A 35 -12.091 12.046 -17.989 1.00 0.00 C ATOM 0 H LEU A 35 -12.798 8.161 -15.445 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.022 10.168 -16.363 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.842 9.649 -16.228 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.505 11.311 -15.784 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.514 9.991 -18.325 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.254 11.283 -19.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.943 10.097 -18.349 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.894 11.822 -17.913 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.023 12.288 -19.049 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.514 12.893 -17.450 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.095 11.830 -17.601 1.00 0.00 H new ATOM 453 N ALA A 36 -11.577 10.180 -13.244 1.00 0.00 N ATOM 454 CA ALA A 36 -11.275 10.838 -11.984 1.00 0.00 C ATOM 455 C ALA A 36 -12.510 11.602 -11.502 1.00 0.00 C ATOM 456 O ALA A 36 -12.967 11.405 -10.378 1.00 0.00 O ATOM 457 CB ALA A 36 -10.059 11.749 -12.162 1.00 0.00 C ATOM 0 H ALA A 36 -11.873 9.208 -13.158 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.023 10.103 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.833 12.242 -11.217 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.201 11.154 -12.475 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.276 12.501 -12.921 1.00 0.00 H new ATOM 463 N LEU A 37 -13.015 12.458 -12.378 1.00 0.00 N ATOM 464 CA LEU A 37 -14.189 13.252 -12.057 1.00 0.00 C ATOM 465 C LEU A 37 -15.207 12.377 -11.323 1.00 0.00 C ATOM 466 O LEU A 37 -15.830 12.818 -10.359 1.00 0.00 O ATOM 467 CB LEU A 37 -14.746 13.919 -13.317 1.00 0.00 C ATOM 468 CG LEU A 37 -14.191 15.307 -13.642 1.00 0.00 C ATOM 469 CD1 LEU A 37 -12.734 15.222 -14.099 1.00 0.00 C ATOM 470 CD2 LEU A 37 -15.073 16.024 -14.667 1.00 0.00 C ATOM 0 H LEU A 37 -12.633 12.619 -13.310 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.925 14.067 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.553 13.264 -14.167 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.828 13.997 -13.215 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.207 15.904 -12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.364 16.222 -14.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.129 14.781 -13.307 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.669 14.602 -14.993 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.656 17.008 -14.880 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.112 15.439 -15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.080 16.136 -14.265 1.00 0.00 H new ATOM 482 N ASP A 38 -15.344 11.151 -11.808 1.00 0.00 N ATOM 483 CA ASP A 38 -16.276 10.210 -11.210 1.00 0.00 C ATOM 484 C ASP A 38 -15.712 9.719 -9.875 1.00 0.00 C ATOM 485 O ASP A 38 -16.443 9.606 -8.893 1.00 0.00 O ATOM 486 CB ASP A 38 -16.483 8.992 -12.112 1.00 0.00 C ATOM 487 CG ASP A 38 -17.940 8.690 -12.467 1.00 0.00 C ATOM 488 OD1 ASP A 38 -18.818 8.664 -11.591 1.00 0.00 O ATOM 489 OD2 ASP A 38 -18.163 8.471 -13.718 1.00 0.00 O ATOM 0 H ASP A 38 -14.825 10.788 -12.608 1.00 0.00 H new ATOM 0 HA ASP A 38 -17.228 10.721 -11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.924 9.143 -13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.056 8.118 -11.620 1.00 0.00 H new ATOM 495 N ALA A 39 -14.416 9.442 -9.882 1.00 0.00 N ATOM 496 CA ALA A 39 -13.746 8.966 -8.684 1.00 0.00 C ATOM 497 C ALA A 39 -14.045 9.919 -7.525 1.00 0.00 C ATOM 498 O ALA A 39 -14.254 9.481 -6.395 1.00 0.00 O ATOM 499 CB ALA A 39 -12.247 8.832 -8.957 1.00 0.00 C ATOM 0 H ALA A 39 -13.812 9.538 -10.699 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.116 7.980 -8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.744 8.475 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.087 8.122 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.840 9.803 -9.239 1.00 0.00 H new ATOM 505 N ALA A 40 -14.056 11.204 -7.846 1.00 0.00 N ATOM 506 CA ALA A 40 -14.326 12.223 -6.845 1.00 0.00 C ATOM 507 C ALA A 40 -15.794 12.140 -6.422 1.00 0.00 C ATOM 508 O ALA A 40 -16.136 12.462 -5.286 1.00 0.00 O ATOM 509 CB ALA A 40 -13.958 13.598 -7.405 1.00 0.00 C ATOM 0 H ALA A 40 -13.882 11.563 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.717 12.059 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.160 14.362 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.899 13.614 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.552 13.799 -8.297 1.00 0.00 H new ATOM 515 N ALA A 41 -16.623 11.705 -7.360 1.00 0.00 N ATOM 516 CA ALA A 41 -18.047 11.575 -7.099 1.00 0.00 C ATOM 517 C ALA A 41 -18.279 10.418 -6.125 1.00 0.00 C ATOM 518 O ALA A 41 -18.977 10.575 -5.124 1.00 0.00 O ATOM 519 CB ALA A 41 -18.793 11.383 -8.420 1.00 0.00 C ATOM 0 H ALA A 41 -16.336 11.438 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 41 -18.436 12.481 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -19.861 11.286 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.620 12.245 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -18.431 10.482 -8.915 1.00 0.00 H new ATOM 525 N PHE A 42 -17.679 9.283 -6.451 1.00 0.00 N ATOM 526 CA PHE A 42 -17.812 8.100 -5.618 1.00 0.00 C ATOM 527 C PHE A 42 -17.227 8.342 -4.225 1.00 0.00 C ATOM 528 O PHE A 42 -17.737 7.820 -3.235 1.00 0.00 O ATOM 529 CB PHE A 42 -17.023 6.981 -6.301 1.00 0.00 C ATOM 530 CG PHE A 42 -16.914 5.700 -5.471 1.00 0.00 C ATOM 531 CD1 PHE A 42 -17.990 4.878 -5.343 1.00 0.00 C ATOM 532 CD2 PHE A 42 -15.740 5.384 -4.860 1.00 0.00 C ATOM 533 CE1 PHE A 42 -17.888 3.690 -4.572 1.00 0.00 C ATOM 534 CE2 PHE A 42 -15.638 4.196 -4.090 1.00 0.00 C ATOM 535 CZ PHE A 42 -16.714 3.374 -3.962 1.00 0.00 C ATOM 0 H PHE A 42 -17.099 9.157 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.865 7.844 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.497 6.745 -7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.020 7.343 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -18.922 5.129 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.886 6.037 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.742 3.037 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -14.706 3.945 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.636 2.470 -3.376 1.00 0.00 H new ATOM 545 N LEU A 43 -16.166 9.135 -4.193 1.00 0.00 N ATOM 546 CA LEU A 43 -15.507 9.453 -2.938 1.00 0.00 C ATOM 547 C LEU A 43 -16.427 10.339 -2.094 1.00 0.00 C ATOM 548 O LEU A 43 -16.612 10.091 -0.904 1.00 0.00 O ATOM 549 CB LEU A 43 -14.130 10.067 -3.197 1.00 0.00 C ATOM 550 CG LEU A 43 -13.054 9.108 -3.710 1.00 0.00 C ATOM 551 CD1 LEU A 43 -11.827 9.876 -4.206 1.00 0.00 C ATOM 552 CD2 LEU A 43 -12.690 8.072 -2.644 1.00 0.00 C ATOM 0 H LEU A 43 -15.746 9.567 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.323 8.545 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.244 10.874 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.775 10.518 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.459 8.564 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.077 9.171 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.118 10.541 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.410 10.463 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.923 7.403 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.311 8.580 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.576 7.494 -2.380 1.00 0.00 H new ATOM 564 N LYS A 44 -16.978 11.354 -2.744 1.00 0.00 N ATOM 565 CA LYS A 44 -17.873 12.277 -2.069 1.00 0.00 C ATOM 566 C LYS A 44 -18.993 11.488 -1.388 1.00 0.00 C ATOM 567 O LYS A 44 -19.629 11.983 -0.458 1.00 0.00 O ATOM 568 CB LYS A 44 -18.376 13.345 -3.042 1.00 0.00 C ATOM 569 CG LYS A 44 -17.285 14.375 -3.338 1.00 0.00 C ATOM 570 CD LYS A 44 -17.697 15.765 -2.850 1.00 0.00 C ATOM 571 CE LYS A 44 -17.964 16.703 -4.028 1.00 0.00 C ATOM 572 NZ LYS A 44 -19.336 16.505 -4.548 1.00 0.00 N ATOM 0 H LYS A 44 -16.821 11.557 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.342 12.818 -1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.697 12.873 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.248 13.845 -2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.356 14.076 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.089 14.405 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.592 15.687 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.911 16.181 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.834 17.738 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.238 16.518 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.501 17.150 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.448 15.522 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.025 16.705 -3.795 1.00 0.00 H new ATOM 583 N LYS A 45 -19.201 10.275 -1.877 1.00 0.00 N ATOM 584 CA LYS A 45 -20.234 9.413 -1.328 1.00 0.00 C ATOM 585 C LYS A 45 -19.737 8.800 -0.017 1.00 0.00 C ATOM 586 O LYS A 45 -20.447 8.023 0.618 1.00 0.00 O ATOM 587 CB LYS A 45 -20.674 8.376 -2.363 1.00 0.00 C ATOM 588 CG LYS A 45 -20.995 9.041 -3.703 1.00 0.00 C ATOM 589 CD LYS A 45 -22.459 8.819 -4.088 1.00 0.00 C ATOM 590 CE LYS A 45 -22.579 7.791 -5.215 1.00 0.00 C ATOM 591 NZ LYS A 45 -23.601 6.774 -4.882 1.00 0.00 N ATOM 0 H LYS A 45 -18.672 9.868 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.127 9.992 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -19.885 7.636 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.552 7.843 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.789 10.110 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.346 8.636 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.020 8.477 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.903 9.763 -4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.846 8.292 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.616 7.307 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.670 6.084 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.330 6.284 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.522 7.238 -4.749 1.00 0.00 H new ATOM 602 N SER A 46 -18.519 9.174 0.349 1.00 0.00 N ATOM 603 CA SER A 46 -17.919 8.671 1.573 1.00 0.00 C ATOM 604 C SER A 46 -18.639 9.257 2.789 1.00 0.00 C ATOM 605 O SER A 46 -19.387 8.556 3.469 1.00 0.00 O ATOM 606 CB SER A 46 -16.426 9.001 1.630 1.00 0.00 C ATOM 607 OG SER A 46 -16.194 10.400 1.772 1.00 0.00 O ATOM 0 H SER A 46 -17.932 9.819 -0.180 1.00 0.00 H new ATOM 0 HA SER A 46 -18.025 7.586 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.969 8.471 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.941 8.643 0.722 1.00 0.00 H new ATOM 0 HG SER A 46 -16.280 10.836 0.899 1.00 0.00 H new ATOM 613 N GLY A 47 -18.388 10.536 3.025 1.00 0.00 N ATOM 614 CA GLY A 47 -19.004 11.224 4.147 1.00 0.00 C ATOM 615 C GLY A 47 -18.217 12.483 4.517 1.00 0.00 C ATOM 616 O GLY A 47 -18.779 13.436 5.054 1.00 0.00 O ATOM 0 H GLY A 47 -17.767 11.114 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.030 11.493 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.052 10.555 5.006 1.00 0.00 H new ATOM 620 N LEU A 48 -16.927 12.446 4.215 1.00 0.00 N ATOM 621 CA LEU A 48 -16.057 13.572 4.509 1.00 0.00 C ATOM 622 C LEU A 48 -16.426 14.747 3.601 1.00 0.00 C ATOM 623 O LEU A 48 -17.089 14.563 2.581 1.00 0.00 O ATOM 624 CB LEU A 48 -14.588 13.155 4.408 1.00 0.00 C ATOM 625 CG LEU A 48 -13.997 12.480 5.648 1.00 0.00 C ATOM 626 CD1 LEU A 48 -12.785 11.621 5.279 1.00 0.00 C ATOM 627 CD2 LEU A 48 -13.660 13.512 6.726 1.00 0.00 C ATOM 0 H LEU A 48 -16.464 11.654 3.770 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.200 13.905 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.481 12.475 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.994 14.041 4.182 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.751 11.812 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.384 11.153 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.088 10.849 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.019 12.249 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.242 13.006 7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.932 14.222 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.566 14.044 7.016 1.00 0.00 H new ATOM 639 N PRO A 49 -15.968 15.959 4.014 1.00 0.00 N ATOM 640 CA PRO A 49 -16.243 17.163 3.250 1.00 0.00 C ATOM 641 C PRO A 49 -15.373 17.225 1.993 1.00 0.00 C ATOM 642 O PRO A 49 -14.429 16.450 1.848 1.00 0.00 O ATOM 643 CB PRO A 49 -15.979 18.309 4.212 1.00 0.00 C ATOM 644 CG PRO A 49 -15.123 17.729 5.327 1.00 0.00 C ATOM 645 CD PRO A 49 -15.180 16.214 5.216 1.00 0.00 C ATOM 0 HA PRO A 49 -17.267 17.201 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -15.464 19.129 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.912 18.712 4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.095 18.080 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.491 18.055 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.181 15.785 5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -15.645 15.770 6.096 1.00 0.00 H new ATOM 653 N ASP A 50 -15.722 18.155 1.115 1.00 0.00 N ATOM 654 CA ASP A 50 -14.985 18.328 -0.125 1.00 0.00 C ATOM 655 C ASP A 50 -13.662 19.037 0.169 1.00 0.00 C ATOM 656 O ASP A 50 -12.654 18.776 -0.488 1.00 0.00 O ATOM 657 CB ASP A 50 -15.771 19.186 -1.118 1.00 0.00 C ATOM 658 CG ASP A 50 -16.428 20.431 -0.519 1.00 0.00 C ATOM 659 OD1 ASP A 50 -15.848 21.527 -0.530 1.00 0.00 O ATOM 660 OD2 ASP A 50 -17.601 20.241 -0.017 1.00 0.00 O ATOM 0 H ASP A 50 -16.506 18.796 1.238 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.815 17.342 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.099 19.497 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.545 18.569 -1.575 1.00 0.00 H new ATOM 666 N LEU A 51 -13.706 19.921 1.155 1.00 0.00 N ATOM 667 CA LEU A 51 -12.524 20.670 1.543 1.00 0.00 C ATOM 668 C LEU A 51 -11.428 19.695 1.978 1.00 0.00 C ATOM 669 O LEU A 51 -10.403 19.568 1.309 1.00 0.00 O ATOM 670 CB LEU A 51 -12.875 21.713 2.606 1.00 0.00 C ATOM 671 CG LEU A 51 -11.897 21.834 3.776 1.00 0.00 C ATOM 672 CD1 LEU A 51 -10.456 21.963 3.276 1.00 0.00 C ATOM 673 CD2 LEU A 51 -12.288 22.990 4.700 1.00 0.00 C ATOM 0 H LEU A 51 -14.543 20.135 1.697 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.134 21.232 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.952 22.686 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.861 21.478 3.006 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.953 20.918 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.781 22.047 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.193 21.081 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.366 22.852 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.577 23.054 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.278 23.924 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.288 22.816 5.097 1.00 0.00 H new ATOM 685 N ILE A 52 -11.680 19.030 3.096 1.00 0.00 N ATOM 686 CA ILE A 52 -10.728 18.071 3.628 1.00 0.00 C ATOM 687 C ILE A 52 -10.333 17.086 2.525 1.00 0.00 C ATOM 688 O ILE A 52 -9.176 16.676 2.439 1.00 0.00 O ATOM 689 CB ILE A 52 -11.289 17.397 4.882 1.00 0.00 C ATOM 690 CG1 ILE A 52 -11.513 18.418 5.999 1.00 0.00 C ATOM 691 CG2 ILE A 52 -10.393 16.241 5.332 1.00 0.00 C ATOM 692 CD1 ILE A 52 -10.221 18.666 6.782 1.00 0.00 C ATOM 0 H ILE A 52 -12.531 19.137 3.648 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.816 18.576 3.947 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.262 16.972 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -11.870 19.356 5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.289 18.059 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.815 15.780 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.329 15.499 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.396 16.620 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.408 19.396 7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.880 17.731 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -9.455 19.048 6.108 1.00 0.00 H new ATOM 704 N LEU A 53 -11.316 16.735 1.710 1.00 0.00 N ATOM 705 CA LEU A 53 -11.086 15.806 0.617 1.00 0.00 C ATOM 706 C LEU A 53 -10.068 16.409 -0.353 1.00 0.00 C ATOM 707 O LEU A 53 -9.093 15.756 -0.721 1.00 0.00 O ATOM 708 CB LEU A 53 -12.410 15.418 -0.044 1.00 0.00 C ATOM 709 CG LEU A 53 -13.068 14.137 0.473 1.00 0.00 C ATOM 710 CD1 LEU A 53 -14.453 13.942 -0.148 1.00 0.00 C ATOM 711 CD2 LEU A 53 -12.162 12.925 0.246 1.00 0.00 C ATOM 0 H LEU A 53 -12.274 17.077 1.784 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.659 14.876 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.113 16.241 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.240 15.309 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.209 14.236 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.898 13.024 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.089 14.789 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.359 13.873 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.653 12.028 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.967 12.811 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.220 13.071 0.774 1.00 0.00 H new ATOM 723 N GLY A 54 -10.330 17.649 -0.740 1.00 0.00 N ATOM 724 CA GLY A 54 -9.449 18.348 -1.660 1.00 0.00 C ATOM 725 C GLY A 54 -7.981 18.047 -1.349 1.00 0.00 C ATOM 726 O GLY A 54 -7.201 17.746 -2.251 1.00 0.00 O ATOM 0 H GLY A 54 -11.140 18.188 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.676 18.050 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.626 19.422 -1.594 1.00 0.00 H new ATOM 730 N LYS A 55 -7.650 18.138 -0.070 1.00 0.00 N ATOM 731 CA LYS A 55 -6.290 17.879 0.372 1.00 0.00 C ATOM 732 C LYS A 55 -5.892 16.456 -0.025 1.00 0.00 C ATOM 733 O LYS A 55 -4.798 16.235 -0.543 1.00 0.00 O ATOM 734 CB LYS A 55 -6.149 18.163 1.869 1.00 0.00 C ATOM 735 CG LYS A 55 -5.976 19.660 2.129 1.00 0.00 C ATOM 736 CD LYS A 55 -5.123 19.905 3.376 1.00 0.00 C ATOM 737 CE LYS A 55 -3.948 20.833 3.063 1.00 0.00 C ATOM 738 NZ LYS A 55 -3.131 21.062 4.276 1.00 0.00 N ATOM 0 H LYS A 55 -8.300 18.388 0.675 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.593 18.555 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.030 17.798 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.292 17.620 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.507 20.131 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.953 20.126 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.738 20.344 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.749 18.955 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.330 20.396 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.320 21.784 2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.338 21.694 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.720 21.499 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.761 20.154 4.622 1.00 0.00 H new ATOM 749 N ILE A 56 -6.801 15.528 0.233 1.00 0.00 N ATOM 750 CA ILE A 56 -6.558 14.132 -0.090 1.00 0.00 C ATOM 751 C ILE A 56 -6.241 14.007 -1.581 1.00 0.00 C ATOM 752 O ILE A 56 -5.248 13.385 -1.958 1.00 0.00 O ATOM 753 CB ILE A 56 -7.734 13.265 0.363 1.00 0.00 C ATOM 754 CG1 ILE A 56 -7.889 13.302 1.885 1.00 0.00 C ATOM 755 CG2 ILE A 56 -7.597 11.835 -0.164 1.00 0.00 C ATOM 756 CD1 ILE A 56 -8.971 12.326 2.351 1.00 0.00 C ATOM 0 H ILE A 56 -7.707 15.715 0.662 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.690 13.760 0.454 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.647 13.679 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.939 13.050 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.145 14.313 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.446 11.240 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.573 11.849 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.674 11.395 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.060 12.373 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.924 12.596 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.700 11.313 2.052 1.00 0.00 H new ATOM 768 N TRP A 57 -7.102 14.607 -2.390 1.00 0.00 N ATOM 769 CA TRP A 57 -6.926 14.570 -3.832 1.00 0.00 C ATOM 770 C TRP A 57 -5.532 15.113 -4.151 1.00 0.00 C ATOM 771 O TRP A 57 -4.714 14.419 -4.753 1.00 0.00 O ATOM 772 CB TRP A 57 -8.043 15.337 -4.541 1.00 0.00 C ATOM 773 CG TRP A 57 -8.141 15.050 -6.040 1.00 0.00 C ATOM 774 CD1 TRP A 57 -7.353 15.510 -7.021 1.00 0.00 C ATOM 775 CD2 TRP A 57 -9.119 14.213 -6.694 1.00 0.00 C ATOM 776 NE1 TRP A 57 -7.749 15.033 -8.254 1.00 0.00 N ATOM 777 CE2 TRP A 57 -8.857 14.220 -8.049 1.00 0.00 C ATOM 778 CE3 TRP A 57 -10.189 13.476 -6.158 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -9.621 13.507 -8.980 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -10.943 12.769 -7.102 1.00 0.00 C ATOM 781 CH2 TRP A 57 -10.693 12.765 -8.469 1.00 0.00 C ATOM 0 H TRP A 57 -7.924 15.122 -2.074 1.00 0.00 H new ATOM 0 HA TRP A 57 -6.995 13.547 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -8.995 15.089 -4.071 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -7.885 16.406 -4.396 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.513 16.171 -6.866 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.309 15.239 -9.151 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -10.412 13.457 -5.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -9.396 13.528 -10.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -11.778 12.186 -6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -11.322 12.192 -9.134 1.00 0.00 H new ATOM 792 N ASP A 58 -5.304 16.350 -3.735 1.00 0.00 N ATOM 793 CA ASP A 58 -4.023 16.995 -3.970 1.00 0.00 C ATOM 794 C ASP A 58 -2.896 16.036 -3.582 1.00 0.00 C ATOM 795 O ASP A 58 -1.876 15.961 -4.266 1.00 0.00 O ATOM 796 CB ASP A 58 -3.879 18.260 -3.122 1.00 0.00 C ATOM 797 CG ASP A 58 -2.960 19.332 -3.710 1.00 0.00 C ATOM 798 OD1 ASP A 58 -1.731 19.271 -3.561 1.00 0.00 O ATOM 799 OD2 ASP A 58 -3.563 20.274 -4.354 1.00 0.00 O ATOM 0 H ASP A 58 -5.985 16.923 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.968 17.260 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.868 18.693 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.502 17.979 -2.139 1.00 0.00 H new ATOM 805 N LEU A 59 -3.117 15.326 -2.486 1.00 0.00 N ATOM 806 CA LEU A 59 -2.132 14.374 -1.999 1.00 0.00 C ATOM 807 C LEU A 59 -2.150 13.129 -2.887 1.00 0.00 C ATOM 808 O LEU A 59 -1.124 12.475 -3.066 1.00 0.00 O ATOM 809 CB LEU A 59 -2.363 14.076 -0.516 1.00 0.00 C ATOM 810 CG LEU A 59 -1.478 12.987 0.095 1.00 0.00 C ATOM 811 CD1 LEU A 59 -2.075 11.598 -0.143 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.043 13.091 -0.425 1.00 0.00 C ATOM 0 H LEU A 59 -3.964 15.390 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.129 14.796 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.213 14.997 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.405 13.787 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.441 13.141 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.427 10.842 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.063 11.543 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.161 11.418 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.565 12.306 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.040 12.976 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.370 14.065 -0.162 1.00 0.00 H new ATOM 824 N ALA A 60 -3.328 12.838 -3.420 1.00 0.00 N ATOM 825 CA ALA A 60 -3.493 11.683 -4.285 1.00 0.00 C ATOM 826 C ALA A 60 -2.930 12.004 -5.671 1.00 0.00 C ATOM 827 O ALA A 60 -1.909 11.450 -6.075 1.00 0.00 O ATOM 828 CB ALA A 60 -4.970 11.287 -4.333 1.00 0.00 C ATOM 0 H ALA A 60 -4.177 13.383 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.939 10.829 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.093 10.420 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.313 11.040 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.557 12.119 -4.723 1.00 0.00 H new ATOM 834 N ASP A 61 -3.622 12.898 -6.363 1.00 0.00 N ATOM 835 CA ASP A 61 -3.204 13.301 -7.695 1.00 0.00 C ATOM 836 C ASP A 61 -1.677 13.369 -7.747 1.00 0.00 C ATOM 837 O ASP A 61 -1.051 14.012 -6.906 1.00 0.00 O ATOM 838 CB ASP A 61 -3.752 14.685 -8.049 1.00 0.00 C ATOM 839 CG ASP A 61 -3.161 15.309 -9.315 1.00 0.00 C ATOM 840 OD1 ASP A 61 -2.488 16.349 -9.260 1.00 0.00 O ATOM 841 OD2 ASP A 61 -3.420 14.674 -10.408 1.00 0.00 O ATOM 0 H ASP A 61 -4.470 13.355 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.588 12.569 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.833 14.612 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.569 15.357 -7.211 1.00 0.00 H new ATOM 847 N THR A 62 -1.120 12.696 -8.743 1.00 0.00 N ATOM 848 CA THR A 62 0.323 12.672 -8.916 1.00 0.00 C ATOM 849 C THR A 62 0.681 12.333 -10.365 1.00 0.00 C ATOM 850 O THR A 62 1.559 12.961 -10.954 1.00 0.00 O ATOM 851 CB THR A 62 0.904 11.688 -7.900 1.00 0.00 C ATOM 852 OG1 THR A 62 0.874 12.402 -6.667 1.00 0.00 O ATOM 853 CG2 THR A 62 2.391 11.413 -8.135 1.00 0.00 C ATOM 0 H THR A 62 -1.642 12.163 -9.439 1.00 0.00 H new ATOM 0 HA THR A 62 0.761 13.652 -8.727 1.00 0.00 H new ATOM 0 HB THR A 62 0.350 10.751 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.440 13.270 -6.802 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.753 10.708 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.530 10.989 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.950 12.345 -8.057 1.00 0.00 H new ATOM 861 N ASP A 63 -0.018 11.340 -10.896 1.00 0.00 N ATOM 862 CA ASP A 63 0.215 10.910 -12.264 1.00 0.00 C ATOM 863 C ASP A 63 0.349 12.139 -13.165 1.00 0.00 C ATOM 864 O ASP A 63 1.278 12.227 -13.968 1.00 0.00 O ATOM 865 CB ASP A 63 -0.952 10.068 -12.783 1.00 0.00 C ATOM 866 CG ASP A 63 -0.654 9.260 -14.048 1.00 0.00 C ATOM 867 OD1 ASP A 63 -0.379 9.825 -15.117 1.00 0.00 O ATOM 868 OD2 ASP A 63 -0.715 7.979 -13.903 1.00 0.00 O ATOM 0 H ASP A 63 -0.745 10.821 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 63 1.126 10.312 -12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.263 9.381 -11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.796 10.728 -12.982 1.00 0.00 H new ATOM 874 N GLY A 64 -0.591 13.058 -13.002 1.00 0.00 N ATOM 875 CA GLY A 64 -0.589 14.279 -13.791 1.00 0.00 C ATOM 876 C GLY A 64 -1.981 14.566 -14.358 1.00 0.00 C ATOM 877 O GLY A 64 -2.596 15.577 -14.020 1.00 0.00 O ATOM 0 H GLY A 64 -1.359 12.982 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.264 15.116 -13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.129 14.188 -14.607 1.00 0.00 H new ATOM 881 N LYS A 65 -2.437 13.660 -15.210 1.00 0.00 N ATOM 882 CA LYS A 65 -3.744 13.804 -15.828 1.00 0.00 C ATOM 883 C LYS A 65 -4.829 13.524 -14.786 1.00 0.00 C ATOM 884 O LYS A 65 -4.690 12.614 -13.969 1.00 0.00 O ATOM 885 CB LYS A 65 -3.847 12.924 -17.075 1.00 0.00 C ATOM 886 CG LYS A 65 -3.940 13.777 -18.342 1.00 0.00 C ATOM 887 CD LYS A 65 -3.521 12.975 -19.575 1.00 0.00 C ATOM 888 CE LYS A 65 -2.662 13.823 -20.515 1.00 0.00 C ATOM 889 NZ LYS A 65 -2.513 13.154 -21.827 1.00 0.00 N ATOM 0 H LYS A 65 -1.924 12.823 -15.487 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.891 14.827 -16.175 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.977 12.270 -17.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.724 12.282 -17.000 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.961 14.137 -18.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.302 14.655 -18.241 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.964 12.091 -19.266 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.407 12.624 -20.104 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.119 14.803 -20.650 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.680 13.988 -20.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.927 13.743 -22.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.056 12.229 -21.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.451 13.019 -22.256 1.00 0.00 H new ATOM 900 N GLY A 66 -5.885 14.321 -14.848 1.00 0.00 N ATOM 901 CA GLY A 66 -6.993 14.170 -13.921 1.00 0.00 C ATOM 902 C GLY A 66 -7.269 12.693 -13.632 1.00 0.00 C ATOM 903 O GLY A 66 -7.462 12.308 -12.480 1.00 0.00 O ATOM 0 H GLY A 66 -5.997 15.074 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.767 14.690 -12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.886 14.636 -14.337 1.00 0.00 H new ATOM 907 N VAL A 67 -7.279 11.907 -14.698 1.00 0.00 N ATOM 908 CA VAL A 67 -7.528 10.481 -14.574 1.00 0.00 C ATOM 909 C VAL A 67 -6.821 9.951 -13.325 1.00 0.00 C ATOM 910 O VAL A 67 -5.770 10.461 -12.939 1.00 0.00 O ATOM 911 CB VAL A 67 -7.100 9.761 -15.854 1.00 0.00 C ATOM 912 CG1 VAL A 67 -7.532 8.294 -15.829 1.00 0.00 C ATOM 913 CG2 VAL A 67 -7.648 10.473 -17.093 1.00 0.00 C ATOM 0 H VAL A 67 -7.119 12.231 -15.652 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.594 10.289 -14.451 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.012 9.788 -15.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.215 7.806 -16.751 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.072 7.794 -14.977 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.617 8.236 -15.742 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.329 9.941 -17.989 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.737 10.492 -17.050 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.269 11.494 -17.123 1.00 0.00 H new ATOM 923 N LEU A 68 -7.425 8.934 -12.728 1.00 0.00 N ATOM 924 CA LEU A 68 -6.866 8.329 -11.531 1.00 0.00 C ATOM 925 C LEU A 68 -6.137 7.038 -11.910 1.00 0.00 C ATOM 926 O LEU A 68 -6.243 6.570 -13.043 1.00 0.00 O ATOM 927 CB LEU A 68 -7.953 8.133 -10.472 1.00 0.00 C ATOM 928 CG LEU A 68 -8.533 9.411 -9.863 1.00 0.00 C ATOM 929 CD1 LEU A 68 -9.415 9.090 -8.655 1.00 0.00 C ATOM 930 CD2 LEU A 68 -7.424 10.406 -9.516 1.00 0.00 C ATOM 0 H LEU A 68 -8.296 8.514 -13.051 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.128 8.991 -11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.769 7.564 -10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.542 7.524 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.169 9.887 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.815 10.015 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.238 8.446 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.822 8.579 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.864 11.305 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.742 9.954 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.875 10.668 -10.420 1.00 0.00 H new ATOM 942 N SER A 69 -5.412 6.499 -10.941 1.00 0.00 N ATOM 943 CA SER A 69 -4.665 5.272 -11.158 1.00 0.00 C ATOM 944 C SER A 69 -5.015 4.248 -10.076 1.00 0.00 C ATOM 945 O SER A 69 -5.815 4.530 -9.186 1.00 0.00 O ATOM 946 CB SER A 69 -3.159 5.538 -11.170 1.00 0.00 C ATOM 947 OG SER A 69 -2.834 6.734 -11.874 1.00 0.00 O ATOM 0 H SER A 69 -5.326 6.890 -10.003 1.00 0.00 H new ATOM 0 HA SER A 69 -4.943 4.871 -12.133 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.795 5.610 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.645 4.695 -11.632 1.00 0.00 H new ATOM 0 HG SER A 69 -1.864 6.870 -11.858 1.00 0.00 H new ATOM 953 N LYS A 70 -4.397 3.081 -10.189 1.00 0.00 N ATOM 954 CA LYS A 70 -4.633 2.014 -9.232 1.00 0.00 C ATOM 955 C LYS A 70 -4.376 2.538 -7.817 1.00 0.00 C ATOM 956 O LYS A 70 -5.253 3.148 -7.208 1.00 0.00 O ATOM 957 CB LYS A 70 -3.804 0.779 -9.590 1.00 0.00 C ATOM 958 CG LYS A 70 -2.410 1.178 -10.080 1.00 0.00 C ATOM 959 CD LYS A 70 -2.319 1.092 -11.605 1.00 0.00 C ATOM 960 CE LYS A 70 -1.702 2.364 -12.190 1.00 0.00 C ATOM 961 NZ LYS A 70 -0.562 2.028 -13.072 1.00 0.00 N ATOM 0 H LYS A 70 -3.733 2.851 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.674 1.692 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.715 0.131 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.315 0.205 -10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.183 2.194 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.662 0.525 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.718 0.228 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.314 0.940 -12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.455 2.915 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.366 3.016 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.155 2.902 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.163 1.522 -12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.892 1.424 -13.851 1.00 0.00 H new ATOM 972 N GLN A 71 -3.169 2.280 -7.336 1.00 0.00 N ATOM 973 CA GLN A 71 -2.785 2.718 -6.005 1.00 0.00 C ATOM 974 C GLN A 71 -3.369 4.102 -5.712 1.00 0.00 C ATOM 975 O GLN A 71 -3.994 4.308 -4.672 1.00 0.00 O ATOM 976 CB GLN A 71 -1.263 2.721 -5.846 1.00 0.00 C ATOM 977 CG GLN A 71 -0.839 1.923 -4.611 1.00 0.00 C ATOM 978 CD GLN A 71 -0.082 2.809 -3.619 1.00 0.00 C ATOM 979 OE1 GLN A 71 0.346 3.908 -3.930 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.059 2.270 -2.411 1.00 0.00 N ATOM 0 H GLN A 71 -2.444 1.773 -7.844 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.192 2.012 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.800 2.294 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.905 3.747 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.719 1.499 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.208 1.087 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.324 1.345 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.550 2.782 -1.678 1.00 0.00 H new ATOM 989 N GLU A 72 -3.145 5.013 -6.647 1.00 0.00 N ATOM 990 CA GLU A 72 -3.642 6.371 -6.502 1.00 0.00 C ATOM 991 C GLU A 72 -5.064 6.359 -5.936 1.00 0.00 C ATOM 992 O GLU A 72 -5.286 6.764 -4.796 1.00 0.00 O ATOM 993 CB GLU A 72 -3.588 7.120 -7.835 1.00 0.00 C ATOM 994 CG GLU A 72 -2.160 7.562 -8.158 1.00 0.00 C ATOM 995 CD GLU A 72 -1.168 6.419 -7.937 1.00 0.00 C ATOM 996 OE1 GLU A 72 -1.303 5.353 -8.555 1.00 0.00 O ATOM 997 OE2 GLU A 72 -0.230 6.668 -7.087 1.00 0.00 O ATOM 0 H GLU A 72 -2.626 4.838 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.997 6.900 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.963 6.478 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.242 7.991 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.106 7.900 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.888 8.411 -7.531 1.00 0.00 H new ATOM 1005 N PHE A 73 -5.990 5.890 -6.760 1.00 0.00 N ATOM 1006 CA PHE A 73 -7.384 5.820 -6.356 1.00 0.00 C ATOM 1007 C PHE A 73 -7.552 4.936 -5.119 1.00 0.00 C ATOM 1008 O PHE A 73 -8.376 5.226 -4.252 1.00 0.00 O ATOM 1009 CB PHE A 73 -8.156 5.198 -7.522 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.564 4.727 -7.154 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -9.761 3.460 -6.702 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.620 5.576 -7.280 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -11.069 3.023 -6.361 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.927 5.139 -6.939 1.00 0.00 C ATOM 1015 CZ PHE A 73 -12.124 3.871 -6.486 1.00 0.00 C ATOM 0 H PHE A 73 -5.802 5.555 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.751 6.816 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.227 5.928 -8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.590 4.351 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.923 2.786 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.464 6.582 -7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.225 2.016 -6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.765 5.813 -7.039 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.118 3.539 -6.226 1.00 0.00 H new ATOM 1025 N PHE A 74 -6.759 3.875 -5.076 1.00 0.00 N ATOM 1026 CA PHE A 74 -6.811 2.947 -3.959 1.00 0.00 C ATOM 1027 C PHE A 74 -6.321 3.612 -2.671 1.00 0.00 C ATOM 1028 O PHE A 74 -6.574 3.113 -1.576 1.00 0.00 O ATOM 1029 CB PHE A 74 -5.881 1.782 -4.303 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.610 0.521 -4.770 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.323 0.537 -5.928 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -6.545 -0.617 -4.027 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -8.000 -0.634 -6.361 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -7.222 -1.787 -4.460 1.00 0.00 C ATOM 1035 CZ PHE A 74 -7.935 -1.771 -5.618 1.00 0.00 C ATOM 0 H PHE A 74 -6.077 3.638 -5.797 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.837 2.615 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.190 2.100 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.281 1.539 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.374 1.440 -6.518 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.978 -0.630 -3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.566 -0.621 -7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.171 -2.690 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.450 -2.661 -5.948 1.00 0.00 H new ATOM 1045 N VAL A 75 -5.629 4.728 -2.845 1.00 0.00 N ATOM 1046 CA VAL A 75 -5.102 5.467 -1.710 1.00 0.00 C ATOM 1047 C VAL A 75 -6.173 6.427 -1.190 1.00 0.00 C ATOM 1048 O VAL A 75 -6.667 6.267 -0.075 1.00 0.00 O ATOM 1049 CB VAL A 75 -3.804 6.175 -2.104 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -3.617 7.464 -1.300 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -2.600 5.246 -1.938 1.00 0.00 C ATOM 0 H VAL A 75 -5.421 5.139 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.852 4.788 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.876 6.444 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.687 7.948 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.454 8.136 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.577 7.227 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.691 5.774 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.524 4.931 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.726 4.370 -2.574 1.00 0.00 H new ATOM 1061 N ALA A 76 -6.501 7.404 -2.023 1.00 0.00 N ATOM 1062 CA ALA A 76 -7.505 8.390 -1.661 1.00 0.00 C ATOM 1063 C ALA A 76 -8.698 7.684 -1.015 1.00 0.00 C ATOM 1064 O ALA A 76 -9.407 8.274 -0.201 1.00 0.00 O ATOM 1065 CB ALA A 76 -7.903 9.192 -2.901 1.00 0.00 C ATOM 0 H ALA A 76 -6.089 7.534 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.105 9.095 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.656 9.932 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.026 9.698 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.311 8.518 -3.655 1.00 0.00 H new ATOM 1071 N LEU A 77 -8.883 6.430 -1.402 1.00 0.00 N ATOM 1072 CA LEU A 77 -9.979 5.637 -0.871 1.00 0.00 C ATOM 1073 C LEU A 77 -9.808 5.488 0.642 1.00 0.00 C ATOM 1074 O LEU A 77 -10.469 6.180 1.416 1.00 0.00 O ATOM 1075 CB LEU A 77 -10.082 4.303 -1.612 1.00 0.00 C ATOM 1076 CG LEU A 77 -11.407 4.035 -2.330 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -11.373 2.691 -3.060 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -12.586 4.131 -1.359 1.00 0.00 C ATOM 0 H LEU A 77 -8.292 5.944 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.931 6.142 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.278 4.255 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.910 3.499 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.549 4.808 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.326 2.525 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.571 2.698 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.197 1.891 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.515 3.936 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.464 3.395 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.620 5.130 -0.925 1.00 0.00 H new ATOM 1090 N ARG A 78 -8.919 4.581 1.019 1.00 0.00 N ATOM 1091 CA ARG A 78 -8.653 4.333 2.426 1.00 0.00 C ATOM 1092 C ARG A 78 -8.314 5.643 3.141 1.00 0.00 C ATOM 1093 O ARG A 78 -8.713 5.850 4.286 1.00 0.00 O ATOM 1094 CB ARG A 78 -7.496 3.349 2.603 1.00 0.00 C ATOM 1095 CG ARG A 78 -7.937 1.920 2.279 1.00 0.00 C ATOM 1096 CD ARG A 78 -9.174 1.531 3.091 1.00 0.00 C ATOM 1097 NE ARG A 78 -10.398 1.760 2.291 1.00 0.00 N ATOM 1098 CZ ARG A 78 -11.552 1.082 2.463 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -11.651 0.126 3.411 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -12.584 1.369 1.691 1.00 0.00 N ATOM 0 H ARG A 78 -8.374 4.009 0.375 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.553 3.899 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.669 3.634 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.127 3.396 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.155 1.835 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.124 1.227 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.112 0.483 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.215 2.117 4.009 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.367 2.475 1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.850 -0.089 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.527 -0.381 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.502 2.094 0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.464 0.866 1.808 1.00 0.00 H new ATOM 1113 N LEU A 79 -7.580 6.492 2.437 1.00 0.00 N ATOM 1114 CA LEU A 79 -7.182 7.775 2.990 1.00 0.00 C ATOM 1115 C LEU A 79 -8.408 8.470 3.585 1.00 0.00 C ATOM 1116 O LEU A 79 -8.341 9.021 4.683 1.00 0.00 O ATOM 1117 CB LEU A 79 -6.453 8.610 1.936 1.00 0.00 C ATOM 1118 CG LEU A 79 -5.338 9.521 2.455 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -4.488 10.058 1.302 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -5.908 10.646 3.320 1.00 0.00 C ATOM 0 H LEU A 79 -7.250 6.316 1.488 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.468 7.635 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.027 7.933 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.187 9.227 1.418 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.680 8.928 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.703 10.702 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.036 9.225 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.118 10.630 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.095 11.279 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.601 11.244 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.435 10.218 4.173 1.00 0.00 H new ATOM 1132 N VAL A 80 -9.499 8.422 2.835 1.00 0.00 N ATOM 1133 CA VAL A 80 -10.738 9.041 3.275 1.00 0.00 C ATOM 1134 C VAL A 80 -11.123 8.482 4.646 1.00 0.00 C ATOM 1135 O VAL A 80 -11.619 9.213 5.502 1.00 0.00 O ATOM 1136 CB VAL A 80 -11.827 8.840 2.220 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -13.183 9.332 2.730 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -11.452 9.530 0.906 1.00 0.00 C ATOM 0 H VAL A 80 -9.551 7.964 1.925 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.608 10.117 3.387 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.911 7.771 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.939 9.177 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.458 8.776 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.119 10.394 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.243 9.372 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.327 10.599 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.519 9.112 0.529 1.00 0.00 H new ATOM 1148 N ALA A 81 -10.880 7.190 4.812 1.00 0.00 N ATOM 1149 CA ALA A 81 -11.196 6.525 6.065 1.00 0.00 C ATOM 1150 C ALA A 81 -10.325 7.107 7.180 1.00 0.00 C ATOM 1151 O ALA A 81 -10.577 6.864 8.360 1.00 0.00 O ATOM 1152 CB ALA A 81 -11.005 5.015 5.903 1.00 0.00 C ATOM 0 H ALA A 81 -10.468 6.586 4.100 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.237 6.695 6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.242 4.515 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.667 4.647 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.970 4.806 5.632 1.00 0.00 H new ATOM 1158 N CYS A 82 -9.318 7.863 6.768 1.00 0.00 N ATOM 1159 CA CYS A 82 -8.409 8.481 7.717 1.00 0.00 C ATOM 1160 C CYS A 82 -9.138 9.644 8.393 1.00 0.00 C ATOM 1161 O CYS A 82 -9.527 9.545 9.556 1.00 0.00 O ATOM 1162 CB CYS A 82 -7.111 8.935 7.045 1.00 0.00 C ATOM 1163 SG CYS A 82 -5.801 9.161 8.302 1.00 0.00 S ATOM 0 H CYS A 82 -9.112 8.061 5.789 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.115 7.750 8.470 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.796 8.196 6.308 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.277 9.869 6.509 1.00 0.00 H new ATOM 0 HG CYS A 82 -5.526 10.426 8.419 1.00 0.00 H new ATOM 1169 N ALA A 83 -9.300 10.719 7.636 1.00 0.00 N ATOM 1170 CA ALA A 83 -9.976 11.900 8.148 1.00 0.00 C ATOM 1171 C ALA A 83 -11.320 11.490 8.754 1.00 0.00 C ATOM 1172 O ALA A 83 -11.846 12.178 9.628 1.00 0.00 O ATOM 1173 CB ALA A 83 -10.132 12.926 7.025 1.00 0.00 C ATOM 0 H ALA A 83 -8.975 10.798 6.672 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.387 12.368 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.639 13.811 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.148 13.206 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.720 12.493 6.216 1.00 0.00 H new ATOM 1179 N GLN A 84 -11.836 10.372 8.267 1.00 0.00 N ATOM 1180 CA GLN A 84 -13.109 9.863 8.750 1.00 0.00 C ATOM 1181 C GLN A 84 -13.084 9.730 10.274 1.00 0.00 C ATOM 1182 O GLN A 84 -14.116 9.866 10.930 1.00 0.00 O ATOM 1183 CB GLN A 84 -13.451 8.526 8.089 1.00 0.00 C ATOM 1184 CG GLN A 84 -14.110 8.742 6.725 1.00 0.00 C ATOM 1185 CD GLN A 84 -15.585 8.334 6.759 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -16.096 7.837 7.748 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -16.238 8.573 5.625 1.00 0.00 N ATOM 0 H GLN A 84 -11.396 9.804 7.543 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.889 10.575 8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.544 7.933 7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.121 7.958 8.735 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.025 9.790 6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.585 8.160 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.749 8.992 4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.227 8.337 5.547 1.00 0.00 H new ATOM 1196 N ASN A 85 -11.894 9.467 10.794 1.00 0.00 N ATOM 1197 CA ASN A 85 -11.720 9.315 12.228 1.00 0.00 C ATOM 1198 C ASN A 85 -10.957 10.522 12.776 1.00 0.00 C ATOM 1199 O ASN A 85 -10.363 10.450 13.851 1.00 0.00 O ATOM 1200 CB ASN A 85 -10.913 8.057 12.555 1.00 0.00 C ATOM 1201 CG ASN A 85 -11.383 7.430 13.869 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -12.479 6.906 13.979 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -10.495 7.511 14.855 1.00 0.00 N ATOM 0 H ASN A 85 -11.040 9.355 10.247 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.708 9.237 12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -11.016 7.334 11.746 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.855 8.308 12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.714 7.121 15.772 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.595 7.964 14.695 1.00 0.00 H new ATOM 1210 N GLY A 86 -10.999 11.605 12.013 1.00 0.00 N ATOM 1211 CA GLY A 86 -10.319 12.826 12.409 1.00 0.00 C ATOM 1212 C GLY A 86 -8.801 12.668 12.300 1.00 0.00 C ATOM 1213 O GLY A 86 -8.049 13.490 12.822 1.00 0.00 O ATOM 0 H GLY A 86 -11.494 11.662 11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.649 13.651 11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.589 13.081 13.434 1.00 0.00 H new ATOM 1217 N LEU A 87 -8.396 11.608 11.617 1.00 0.00 N ATOM 1218 CA LEU A 87 -6.981 11.332 11.433 1.00 0.00 C ATOM 1219 C LEU A 87 -6.426 12.247 10.339 1.00 0.00 C ATOM 1220 O LEU A 87 -7.184 12.807 9.550 1.00 0.00 O ATOM 1221 CB LEU A 87 -6.756 9.843 11.162 1.00 0.00 C ATOM 1222 CG LEU A 87 -7.024 8.899 12.336 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -7.093 7.445 11.866 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -5.987 9.095 13.444 1.00 0.00 C ATOM 0 H LEU A 87 -9.023 10.930 11.184 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.428 11.553 12.346 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.393 9.545 10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.724 9.705 10.839 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.998 9.147 12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.284 6.795 12.720 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.898 7.335 11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.146 7.167 11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.200 8.412 14.267 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.991 8.890 13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.030 10.123 13.805 1.00 0.00 H new ATOM 1236 N GLU A 88 -5.107 12.370 10.329 1.00 0.00 N ATOM 1237 CA GLU A 88 -4.441 13.207 9.345 1.00 0.00 C ATOM 1238 C GLU A 88 -5.057 12.993 7.961 1.00 0.00 C ATOM 1239 O GLU A 88 -5.797 12.033 7.749 1.00 0.00 O ATOM 1240 CB GLU A 88 -2.936 12.936 9.323 1.00 0.00 C ATOM 1241 CG GLU A 88 -2.153 14.212 9.004 1.00 0.00 C ATOM 1242 CD GLU A 88 -1.095 14.488 10.074 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -1.390 14.398 11.275 1.00 0.00 O ATOM 1244 OE2 GLU A 88 0.069 14.806 9.620 1.00 0.00 O ATOM 0 H GLU A 88 -4.481 11.904 10.986 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.585 14.250 9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.620 12.543 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.711 12.172 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.674 14.115 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.839 15.057 8.939 1.00 0.00 H new ATOM 1252 N VAL A 89 -4.730 13.902 7.055 1.00 0.00 N ATOM 1253 CA VAL A 89 -5.242 13.825 5.698 1.00 0.00 C ATOM 1254 C VAL A 89 -4.085 13.544 4.736 1.00 0.00 C ATOM 1255 O VAL A 89 -4.307 13.200 3.576 1.00 0.00 O ATOM 1256 CB VAL A 89 -6.009 15.103 5.353 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -7.049 14.842 4.262 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -6.661 15.704 6.600 1.00 0.00 C ATOM 0 H VAL A 89 -4.116 14.697 7.234 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.951 13.002 5.604 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.294 15.829 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.580 15.767 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.550 14.481 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.760 14.092 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.200 16.611 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.357 14.984 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.891 15.946 7.333 1.00 0.00 H new ATOM 1268 N SER A 90 -2.876 13.702 5.254 1.00 0.00 N ATOM 1269 CA SER A 90 -1.684 13.470 4.456 1.00 0.00 C ATOM 1270 C SER A 90 -1.187 12.038 4.662 1.00 0.00 C ATOM 1271 O SER A 90 -1.371 11.461 5.733 1.00 0.00 O ATOM 1272 CB SER A 90 -0.582 14.470 4.809 1.00 0.00 C ATOM 1273 OG SER A 90 -0.982 15.815 4.562 1.00 0.00 O ATOM 0 H SER A 90 -2.696 13.988 6.216 1.00 0.00 H new ATOM 0 HA SER A 90 -1.942 13.611 3.406 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.315 14.359 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.312 14.245 4.227 1.00 0.00 H new ATOM 0 HG SER A 90 -0.252 16.423 4.802 1.00 0.00 H new ATOM 1279 N LEU A 91 -0.567 11.505 3.619 1.00 0.00 N ATOM 1280 CA LEU A 91 -0.043 10.151 3.672 1.00 0.00 C ATOM 1281 C LEU A 91 1.051 10.074 4.739 1.00 0.00 C ATOM 1282 O LEU A 91 1.358 8.994 5.242 1.00 0.00 O ATOM 1283 CB LEU A 91 0.419 9.700 2.285 1.00 0.00 C ATOM 1284 CG LEU A 91 -0.568 8.836 1.497 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -0.078 8.609 0.066 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -0.844 7.518 2.224 1.00 0.00 C ATOM 0 H LEU A 91 -0.416 11.987 2.733 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.826 9.451 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.647 10.587 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.349 9.143 2.397 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.514 9.373 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.798 7.992 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.026 9.569 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.888 8.104 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.548 6.923 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.088 6.965 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.269 7.726 3.206 1.00 0.00 H new ATOM 1298 N SER A 92 1.610 11.233 5.053 1.00 0.00 N ATOM 1299 CA SER A 92 2.663 11.311 6.051 1.00 0.00 C ATOM 1300 C SER A 92 2.149 10.793 7.395 1.00 0.00 C ATOM 1301 O SER A 92 2.936 10.508 8.297 1.00 0.00 O ATOM 1302 CB SER A 92 3.180 12.744 6.196 1.00 0.00 C ATOM 1303 OG SER A 92 4.012 13.125 5.104 1.00 0.00 O ATOM 0 H SER A 92 1.353 12.127 4.634 1.00 0.00 H new ATOM 0 HA SER A 92 3.493 10.686 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.335 13.429 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.740 12.835 7.127 1.00 0.00 H new ATOM 0 HG SER A 92 4.320 14.046 5.233 1.00 0.00 H new ATOM 1309 N SER A 93 0.832 10.686 7.488 1.00 0.00 N ATOM 1310 CA SER A 93 0.203 10.208 8.707 1.00 0.00 C ATOM 1311 C SER A 93 -0.724 9.032 8.391 1.00 0.00 C ATOM 1312 O SER A 93 -1.749 8.853 9.047 1.00 0.00 O ATOM 1313 CB SER A 93 -0.575 11.327 9.402 1.00 0.00 C ATOM 1314 OG SER A 93 0.095 11.799 10.567 1.00 0.00 O ATOM 0 H SER A 93 0.182 10.923 6.738 1.00 0.00 H new ATOM 0 HA SER A 93 0.986 9.872 9.387 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.719 12.154 8.707 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.566 10.964 9.676 1.00 0.00 H new ATOM 0 HG SER A 93 -0.561 11.969 11.275 1.00 0.00 H new ATOM 1320 N LEU A 94 -0.331 8.263 7.387 1.00 0.00 N ATOM 1321 CA LEU A 94 -1.114 7.110 6.977 1.00 0.00 C ATOM 1322 C LEU A 94 -0.341 5.831 7.305 1.00 0.00 C ATOM 1323 O LEU A 94 0.755 5.889 7.859 1.00 0.00 O ATOM 1324 CB LEU A 94 -1.510 7.228 5.504 1.00 0.00 C ATOM 1325 CG LEU A 94 -2.856 7.900 5.223 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -4.013 7.050 5.750 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -2.887 9.322 5.786 1.00 0.00 C ATOM 0 H LEU A 94 0.520 8.416 6.845 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.051 7.068 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.732 7.786 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.529 6.227 5.072 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.980 7.979 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.958 7.550 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.000 6.075 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.906 6.918 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.854 9.777 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.731 9.290 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.098 9.914 5.323 1.00 0.00 H new ATOM 1339 N SER A 95 -0.944 4.706 6.949 1.00 0.00 N ATOM 1340 CA SER A 95 -0.326 3.414 7.198 1.00 0.00 C ATOM 1341 C SER A 95 -0.526 3.013 8.661 1.00 0.00 C ATOM 1342 O SER A 95 0.281 2.271 9.220 1.00 0.00 O ATOM 1343 CB SER A 95 1.164 3.441 6.854 1.00 0.00 C ATOM 1344 OG SER A 95 1.976 3.642 8.008 1.00 0.00 O ATOM 0 H SER A 95 -1.854 4.662 6.490 1.00 0.00 H new ATOM 0 HA SER A 95 -0.806 2.675 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.442 2.503 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.355 4.236 6.133 1.00 0.00 H new ATOM 0 HG SER A 95 1.819 4.541 8.366 1.00 0.00 H new ATOM 1350 N LEU A 96 -1.604 3.521 9.239 1.00 0.00 N ATOM 1351 CA LEU A 96 -1.919 3.225 10.626 1.00 0.00 C ATOM 1352 C LEU A 96 -3.164 2.337 10.683 1.00 0.00 C ATOM 1353 O LEU A 96 -3.522 1.700 9.694 1.00 0.00 O ATOM 1354 CB LEU A 96 -2.049 4.518 11.435 1.00 0.00 C ATOM 1355 CG LEU A 96 -1.147 5.675 10.998 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -1.803 7.024 11.298 1.00 0.00 C ATOM 1357 CD2 LEU A 96 0.240 5.558 11.632 1.00 0.00 C ATOM 0 H LEU A 96 -2.271 4.136 8.772 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.106 2.667 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.085 4.852 11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.837 4.292 12.480 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.013 5.615 9.918 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.142 7.829 10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.749 7.096 10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.986 7.109 12.369 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.861 6.392 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.147 5.579 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.702 4.620 11.325 1.00 0.00 H new ATOM 1369 N ALA A 97 -3.789 2.324 11.852 1.00 0.00 N ATOM 1370 CA ALA A 97 -4.986 1.525 12.051 1.00 0.00 C ATOM 1371 C ALA A 97 -6.221 2.412 11.881 1.00 0.00 C ATOM 1372 O ALA A 97 -6.915 2.708 12.852 1.00 0.00 O ATOM 1373 CB ALA A 97 -4.932 0.858 13.426 1.00 0.00 C ATOM 0 H ALA A 97 -3.489 2.854 12.670 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.046 0.732 11.306 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.830 0.259 13.575 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.053 0.216 13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.874 1.624 14.200 1.00 0.00 H new ATOM 1379 N VAL A 98 -6.457 2.812 10.640 1.00 0.00 N ATOM 1380 CA VAL A 98 -7.596 3.660 10.331 1.00 0.00 C ATOM 1381 C VAL A 98 -8.866 2.808 10.294 1.00 0.00 C ATOM 1382 O VAL A 98 -8.819 1.635 9.928 1.00 0.00 O ATOM 1383 CB VAL A 98 -7.345 4.417 9.025 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -6.007 5.158 9.069 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -7.410 3.473 7.823 1.00 0.00 C ATOM 0 H VAL A 98 -5.879 2.565 9.837 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.733 4.413 11.107 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.135 5.159 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.853 5.688 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.014 5.873 9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.199 4.442 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.228 4.036 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.652 2.697 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.397 3.012 7.775 1.00 0.00 H new ATOM 1395 N PRO A 99 -9.999 3.448 10.688 1.00 0.00 N ATOM 1396 CA PRO A 99 -11.279 2.761 10.703 1.00 0.00 C ATOM 1397 C PRO A 99 -11.827 2.591 9.285 1.00 0.00 C ATOM 1398 O PRO A 99 -11.254 3.110 8.328 1.00 0.00 O ATOM 1399 CB PRO A 99 -12.173 3.615 11.587 1.00 0.00 C ATOM 1400 CG PRO A 99 -11.510 4.981 11.656 1.00 0.00 C ATOM 1401 CD PRO A 99 -10.091 4.837 11.128 1.00 0.00 C ATOM 0 HA PRO A 99 -11.207 1.746 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -13.178 3.689 11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.271 3.178 12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -12.067 5.706 11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.500 5.349 12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.903 5.526 10.305 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.356 5.057 11.902 1.00 0.00 H new ATOM 1409 N PRO A 100 -12.960 1.844 9.192 1.00 0.00 N ATOM 1410 CA PRO A 100 -13.592 1.599 7.907 1.00 0.00 C ATOM 1411 C PRO A 100 -14.332 2.844 7.414 1.00 0.00 C ATOM 1412 O PRO A 100 -14.866 3.611 8.214 1.00 0.00 O ATOM 1413 CB PRO A 100 -14.514 0.414 8.141 1.00 0.00 C ATOM 1414 CG PRO A 100 -14.715 0.333 9.645 1.00 0.00 C ATOM 1415 CD PRO A 100 -13.666 1.214 10.304 1.00 0.00 C ATOM 0 HA PRO A 100 -12.872 1.376 7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.465 0.552 7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.074 -0.506 7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -15.717 0.666 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.618 -0.697 9.988 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.126 1.959 10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.987 0.627 10.922 1.00 0.00 H new ATOM 1423 N PRO A 101 -14.339 3.011 6.064 1.00 0.00 N ATOM 1424 CA PRO A 101 -15.005 4.150 5.455 1.00 0.00 C ATOM 1425 C PRO A 101 -16.525 3.973 5.476 1.00 0.00 C ATOM 1426 O PRO A 101 -17.045 3.134 6.210 1.00 0.00 O ATOM 1427 CB PRO A 101 -14.437 4.231 4.047 1.00 0.00 C ATOM 1428 CG PRO A 101 -13.826 2.868 3.765 1.00 0.00 C ATOM 1429 CD PRO A 101 -13.717 2.124 5.086 1.00 0.00 C ATOM 0 HA PRO A 101 -14.828 5.079 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.218 4.466 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.687 5.018 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.445 2.310 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.843 2.978 3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.228 1.162 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.677 1.921 5.341 1.00 0.00 H new ATOM 1437 N ARG A 102 -17.194 4.776 4.662 1.00 0.00 N ATOM 1438 CA ARG A 102 -18.643 4.719 4.579 1.00 0.00 C ATOM 1439 C ARG A 102 -19.073 3.912 3.352 1.00 0.00 C ATOM 1440 O ARG A 102 -20.120 3.268 3.363 1.00 0.00 O ATOM 1441 CB ARG A 102 -19.246 6.123 4.495 1.00 0.00 C ATOM 1442 CG ARG A 102 -20.519 6.224 5.337 1.00 0.00 C ATOM 1443 CD ARG A 102 -21.767 6.048 4.468 1.00 0.00 C ATOM 1444 NE ARG A 102 -22.867 6.891 4.986 1.00 0.00 N ATOM 1445 CZ ARG A 102 -24.169 6.708 4.679 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -24.545 5.709 3.852 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -25.070 7.521 5.199 1.00 0.00 N ATOM 0 H ARG A 102 -16.759 5.470 4.054 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.008 4.233 5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -18.518 6.857 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.473 6.364 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -20.505 5.463 6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -20.553 7.192 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.543 6.321 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -22.072 5.001 4.462 1.00 0.00 H new ATOM 0 HE ARG A 102 -22.627 7.658 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -23.843 5.085 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -25.531 5.578 3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -24.778 8.274 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.058 7.396 4.977 1.00 0.00 H new ATOM 1460 N PHE A 103 -18.241 3.974 2.322 1.00 0.00 N ATOM 1461 CA PHE A 103 -18.521 3.258 1.090 1.00 0.00 C ATOM 1462 C PHE A 103 -19.125 1.882 1.380 1.00 0.00 C ATOM 1463 O PHE A 103 -19.004 1.370 2.492 1.00 0.00 O ATOM 1464 CB PHE A 103 -17.186 3.073 0.366 1.00 0.00 C ATOM 1465 CG PHE A 103 -16.330 4.340 0.308 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -16.769 5.427 -0.381 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -15.129 4.378 0.945 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -15.974 6.602 -0.435 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -14.334 5.553 0.891 1.00 0.00 C ATOM 1470 CZ PHE A 103 -14.773 6.641 0.203 1.00 0.00 C ATOM 0 H PHE A 103 -17.373 4.509 2.316 1.00 0.00 H new ATOM 0 HA PHE A 103 -19.236 3.820 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -16.620 2.286 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -17.380 2.731 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -17.723 5.396 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -14.780 3.514 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -16.323 7.465 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -13.380 5.583 1.397 1.00 0.00 H new ATOM 0 HZ PHE A 103 -14.169 7.535 0.163 1.00 0.00 H new ATOM 1480 N HIS A 104 -19.761 1.323 0.361 1.00 0.00 N ATOM 1481 CA HIS A 104 -20.384 0.017 0.494 1.00 0.00 C ATOM 1482 C HIS A 104 -19.302 -1.052 0.667 1.00 0.00 C ATOM 1483 O HIS A 104 -18.117 -0.776 0.484 1.00 0.00 O ATOM 1484 CB HIS A 104 -21.311 -0.265 -0.690 1.00 0.00 C ATOM 1485 CG HIS A 104 -22.762 0.058 -0.423 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -23.640 -0.847 0.148 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -23.479 1.196 -0.655 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -24.828 -0.270 0.250 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -24.726 0.996 -0.249 1.00 0.00 N ATOM 0 H HIS A 104 -19.858 1.750 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 104 -21.011 -0.002 1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.973 0.314 -1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -21.227 -1.317 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -23.096 2.105 -1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -25.721 -0.722 0.657 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -25.484 1.677 -0.301 1.00 0.00 H new ATOM 1497 N ASP A 105 -19.749 -2.249 1.018 1.00 0.00 N ATOM 1498 CA ASP A 105 -18.834 -3.360 1.218 1.00 0.00 C ATOM 1499 C ASP A 105 -19.638 -4.648 1.408 1.00 0.00 C ATOM 1500 O ASP A 105 -20.866 -4.632 1.350 1.00 0.00 O ATOM 1501 CB ASP A 105 -17.977 -3.149 2.467 1.00 0.00 C ATOM 1502 CG ASP A 105 -16.467 -3.247 2.239 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -15.887 -4.343 2.260 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -15.873 -2.121 2.029 1.00 0.00 O ATOM 0 H ASP A 105 -20.732 -2.474 1.169 1.00 0.00 H new ATOM 0 HA ASP A 105 -18.187 -3.426 0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -18.204 -2.167 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -18.265 -3.887 3.216 1.00 0.00 H new TER 1510 ASP A 105