USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 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 17 TYR OH : rot 180:sc= 1.07 USER MOD Set 1.2: A 74 TYR OH : rot -172:sc= 1.27 USER MOD Set 2.1: A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0166 (180deg=-0.249) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.166 (180deg=-0.000441) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0.213 K(o=0.21,f=-6.6!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 8 HIS : no HD1:sc= -0.0943 X(o=-0.094,f=-0.094) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00466 USER MOD Single : A 10 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=-0.58) USER MOD Single : A 11 MET CE :methyl 162:sc= -0.124 (180deg=-0.588) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 18 TYR OH : rot 58:sc= 1.06 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.122 K(o=-0.12,f=-6.5!) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.769 USER MOD Single : A 29 GLN : amide:sc= -2.68! C(o=-2.7!,f=-7.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= 0.6 (180deg=0.212) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.22) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= 1.24 (180deg=0.516) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 59 SER OG : rot 70:sc= 0.888 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -82:sc= 0.885 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= -3.39! (180deg=-3.66!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.875 -0.287 -12.781 1.00 0.00 N ATOM 2 CA MET A 1 2.771 0.657 -11.655 1.00 0.00 C ATOM 3 C MET A 1 4.133 0.858 -11.027 1.00 0.00 C ATOM 4 O MET A 1 5.148 0.419 -11.577 1.00 0.00 O ATOM 5 CB MET A 1 1.776 0.148 -10.595 1.00 0.00 C ATOM 6 CG MET A 1 0.340 0.026 -11.086 1.00 0.00 C ATOM 7 SD MET A 1 -0.820 -0.374 -9.759 1.00 0.00 S ATOM 8 CE MET A 1 -0.242 -2.001 -9.258 1.00 0.00 C ATOM 0 H1 MET A 1 2.488 0.153 -13.640 1.00 0.00 H new ATOM 0 H2 MET A 1 3.874 -0.532 -12.938 1.00 0.00 H new ATOM 0 H3 MET A 1 2.337 -1.150 -12.562 1.00 0.00 H new ATOM 0 HA MET A 1 2.403 1.608 -12.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.110 -0.827 -10.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.798 0.823 -9.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.040 0.963 -11.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.287 -0.746 -11.854 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.988 -2.471 -8.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.082 -2.619 -10.142 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.696 -1.902 -8.711 1.00 0.00 H new ATOM 20 N GLY A 2 4.162 1.520 -9.886 1.00 0.00 N ATOM 21 CA GLY A 2 5.406 1.747 -9.208 1.00 0.00 C ATOM 22 C GLY A 2 5.705 3.212 -9.075 1.00 0.00 C ATOM 23 O GLY A 2 5.107 4.034 -9.755 1.00 0.00 O ATOM 0 H GLY A 2 3.341 1.904 -9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.370 1.291 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.213 1.259 -9.754 1.00 0.00 H new ATOM 27 N HIS A 3 6.631 3.543 -8.207 1.00 0.00 N ATOM 28 CA HIS A 3 6.980 4.935 -7.978 1.00 0.00 C ATOM 29 C HIS A 3 8.290 5.297 -8.660 1.00 0.00 C ATOM 30 O HIS A 3 8.815 6.399 -8.475 1.00 0.00 O ATOM 31 CB HIS A 3 7.043 5.235 -6.480 1.00 0.00 C ATOM 32 CG HIS A 3 5.713 5.128 -5.794 1.00 0.00 C ATOM 33 ND1 HIS A 3 5.496 4.326 -4.695 1.00 0.00 N ATOM 34 CD2 HIS A 3 4.524 5.726 -6.059 1.00 0.00 C ATOM 35 CE1 HIS A 3 4.232 4.437 -4.317 1.00 0.00 C ATOM 36 NE2 HIS A 3 3.626 5.277 -5.129 1.00 0.00 N ATOM 0 H HIS A 3 7.158 2.874 -7.646 1.00 0.00 H new ATOM 0 HA HIS A 3 6.198 5.553 -8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.743 4.546 -6.008 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.439 6.240 -6.335 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.324 6.427 -6.856 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.775 3.925 -3.483 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.645 5.550 -5.074 1.00 0.00 H new ATOM 44 N HIS A 4 8.826 4.366 -9.441 1.00 0.00 N ATOM 45 CA HIS A 4 10.065 4.621 -10.185 1.00 0.00 C ATOM 46 C HIS A 4 9.749 5.514 -11.368 1.00 0.00 C ATOM 47 O HIS A 4 10.463 6.465 -11.663 1.00 0.00 O ATOM 48 CB HIS A 4 10.700 3.315 -10.665 1.00 0.00 C ATOM 49 CG HIS A 4 10.993 2.352 -9.557 1.00 0.00 C ATOM 50 ND1 HIS A 4 12.073 2.471 -8.713 1.00 0.00 N ATOM 51 CD2 HIS A 4 10.311 1.261 -9.134 1.00 0.00 C ATOM 52 CE1 HIS A 4 12.040 1.500 -7.819 1.00 0.00 C ATOM 53 NE2 HIS A 4 10.981 0.753 -8.055 1.00 0.00 N ATOM 0 H HIS A 4 8.431 3.436 -9.578 1.00 0.00 H new ATOM 0 HA HIS A 4 10.780 5.113 -9.526 1.00 0.00 H new ATOM 0 HB2 HIS A 4 10.033 2.838 -11.383 1.00 0.00 H new ATOM 0 HB3 HIS A 4 11.626 3.543 -11.192 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.405 0.865 -9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 4 12.759 1.345 -7.028 1.00 0.00 H new ATOM 0 HE2 HIS A 4 10.705 -0.071 -7.520 1.00 0.00 H new ATOM 61 N HIS A 5 8.647 5.196 -12.026 1.00 0.00 N ATOM 62 CA HIS A 5 8.140 5.982 -13.134 1.00 0.00 C ATOM 63 C HIS A 5 6.712 6.384 -12.827 1.00 0.00 C ATOM 64 O HIS A 5 5.765 5.770 -13.303 1.00 0.00 O ATOM 65 CB HIS A 5 8.191 5.202 -14.452 1.00 0.00 C ATOM 66 CG HIS A 5 9.573 4.972 -14.988 1.00 0.00 C ATOM 67 ND1 HIS A 5 10.351 3.878 -14.651 1.00 0.00 N ATOM 68 CD2 HIS A 5 10.311 5.695 -15.866 1.00 0.00 C ATOM 69 CE1 HIS A 5 11.504 3.945 -15.305 1.00 0.00 C ATOM 70 NE2 HIS A 5 11.501 5.037 -16.044 1.00 0.00 N ATOM 0 H HIS A 5 8.077 4.380 -11.804 1.00 0.00 H new ATOM 0 HA HIS A 5 8.769 6.864 -13.254 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.706 4.236 -14.307 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.610 5.741 -15.201 1.00 0.00 H new ATOM 0 HD2 HIS A 5 10.016 6.620 -16.339 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.308 3.227 -15.242 1.00 0.00 H new ATOM 0 HE2 HIS A 5 12.262 5.343 -16.651 1.00 0.00 H new ATOM 78 N HIS A 6 6.575 7.390 -11.985 1.00 0.00 N ATOM 79 CA HIS A 6 5.267 7.867 -11.561 1.00 0.00 C ATOM 80 C HIS A 6 4.512 8.475 -12.743 1.00 0.00 C ATOM 81 O HIS A 6 3.307 8.283 -12.882 1.00 0.00 O ATOM 82 CB HIS A 6 5.422 8.893 -10.421 1.00 0.00 C ATOM 83 CG HIS A 6 4.141 9.264 -9.730 1.00 0.00 C ATOM 84 ND1 HIS A 6 3.779 8.754 -8.498 1.00 0.00 N ATOM 85 CD2 HIS A 6 3.147 10.106 -10.089 1.00 0.00 C ATOM 86 CE1 HIS A 6 2.620 9.268 -8.139 1.00 0.00 C ATOM 87 NE2 HIS A 6 2.219 10.092 -9.084 1.00 0.00 N ATOM 0 H HIS A 6 7.359 7.898 -11.576 1.00 0.00 H new ATOM 0 HA HIS A 6 4.687 7.023 -11.188 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.115 8.491 -9.681 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.876 9.798 -10.825 1.00 0.00 H new ATOM 0 HD2 HIS A 6 3.095 10.683 -11.000 1.00 0.00 H new ATOM 0 HE1 HIS A 6 2.089 9.050 -7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.355 10.633 -9.069 1.00 0.00 H new ATOM 95 N HIS A 7 5.225 9.228 -13.576 1.00 0.00 N ATOM 96 CA HIS A 7 4.622 9.848 -14.759 1.00 0.00 C ATOM 97 C HIS A 7 4.303 8.786 -15.810 1.00 0.00 C ATOM 98 O HIS A 7 3.167 8.672 -16.260 1.00 0.00 O ATOM 99 CB HIS A 7 5.563 10.909 -15.336 1.00 0.00 C ATOM 100 CG HIS A 7 5.860 12.013 -14.373 1.00 0.00 C ATOM 101 ND1 HIS A 7 6.869 11.939 -13.441 1.00 0.00 N ATOM 102 CD2 HIS A 7 5.264 13.215 -14.187 1.00 0.00 C ATOM 103 CE1 HIS A 7 6.882 13.050 -12.721 1.00 0.00 C ATOM 104 NE2 HIS A 7 5.920 13.836 -13.153 1.00 0.00 N ATOM 0 H HIS A 7 6.219 9.425 -13.457 1.00 0.00 H new ATOM 0 HA HIS A 7 3.691 10.333 -14.466 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.497 10.434 -15.635 1.00 0.00 H new ATOM 0 HB3 HIS A 7 5.117 11.330 -16.237 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.429 13.611 -14.747 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.566 13.273 -11.916 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.697 14.759 -12.780 1.00 0.00 H new ATOM 112 N HIS A 8 5.334 8.020 -16.196 1.00 0.00 N ATOM 113 CA HIS A 8 5.209 6.900 -17.150 1.00 0.00 C ATOM 114 C HIS A 8 4.681 7.349 -18.540 1.00 0.00 C ATOM 115 O HIS A 8 4.402 6.511 -19.410 1.00 0.00 O ATOM 116 CB HIS A 8 4.308 5.799 -16.555 1.00 0.00 C ATOM 117 CG HIS A 8 4.407 4.474 -17.256 1.00 0.00 C ATOM 118 ND1 HIS A 8 5.506 3.643 -17.144 1.00 0.00 N ATOM 119 CD2 HIS A 8 3.542 3.833 -18.084 1.00 0.00 C ATOM 120 CE1 HIS A 8 5.313 2.559 -17.867 1.00 0.00 C ATOM 121 NE2 HIS A 8 4.129 2.649 -18.447 1.00 0.00 N ATOM 0 H HIS A 8 6.285 8.158 -15.855 1.00 0.00 H new ATOM 0 HA HIS A 8 6.210 6.502 -17.313 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.567 5.662 -15.505 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.272 6.137 -16.586 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.572 4.190 -18.398 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.005 1.736 -17.969 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.718 1.950 -19.065 1.00 0.00 H new ATOM 129 N SER A 9 4.574 8.650 -18.759 1.00 0.00 N ATOM 130 CA SER A 9 4.057 9.152 -20.015 1.00 0.00 C ATOM 131 C SER A 9 5.062 8.941 -21.139 1.00 0.00 C ATOM 132 O SER A 9 6.247 9.228 -20.990 1.00 0.00 O ATOM 133 CB SER A 9 3.691 10.634 -19.896 1.00 0.00 C ATOM 134 OG SER A 9 3.074 11.098 -21.087 1.00 0.00 O ATOM 0 H SER A 9 4.837 9.370 -18.086 1.00 0.00 H new ATOM 0 HA SER A 9 3.153 8.592 -20.255 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.018 10.780 -19.051 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.588 11.220 -19.694 1.00 0.00 H new ATOM 0 HG SER A 9 2.847 12.046 -20.990 1.00 0.00 H new ATOM 140 N HIS A 10 4.577 8.422 -22.254 1.00 0.00 N ATOM 141 CA HIS A 10 5.408 8.183 -23.428 1.00 0.00 C ATOM 142 C HIS A 10 5.354 9.372 -24.374 1.00 0.00 C ATOM 143 O HIS A 10 5.964 9.360 -25.447 1.00 0.00 O ATOM 144 CB HIS A 10 4.961 6.901 -24.159 1.00 0.00 C ATOM 145 CG HIS A 10 3.502 6.874 -24.533 1.00 0.00 C ATOM 146 ND1 HIS A 10 2.526 6.393 -23.688 1.00 0.00 N ATOM 147 CD2 HIS A 10 2.858 7.268 -25.660 1.00 0.00 C ATOM 148 CE1 HIS A 10 1.346 6.488 -24.279 1.00 0.00 C ATOM 149 NE2 HIS A 10 1.522 7.014 -25.472 1.00 0.00 N ATOM 0 H HIS A 10 3.600 8.154 -22.374 1.00 0.00 H new ATOM 0 HA HIS A 10 6.437 8.051 -23.093 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.558 6.787 -25.064 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.177 6.042 -23.524 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.311 7.700 -26.540 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.400 6.185 -23.855 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.783 7.203 -26.150 1.00 0.00 H new ATOM 157 N MET A 11 4.606 10.388 -23.984 1.00 0.00 N ATOM 158 CA MET A 11 4.464 11.579 -24.793 1.00 0.00 C ATOM 159 C MET A 11 5.584 12.544 -24.486 1.00 0.00 C ATOM 160 O MET A 11 5.759 12.958 -23.338 1.00 0.00 O ATOM 161 CB MET A 11 3.113 12.248 -24.533 1.00 0.00 C ATOM 162 CG MET A 11 1.921 11.404 -24.942 1.00 0.00 C ATOM 163 SD MET A 11 0.344 12.210 -24.595 1.00 0.00 S ATOM 164 CE MET A 11 0.446 13.633 -25.684 1.00 0.00 C ATOM 0 H MET A 11 4.086 10.409 -23.107 1.00 0.00 H new ATOM 0 HA MET A 11 4.513 11.294 -25.844 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.033 12.482 -23.472 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.078 13.195 -25.072 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.985 11.184 -26.008 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.960 10.450 -24.417 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.550 14.050 -25.832 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.092 14.388 -25.237 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.858 13.327 -26.646 1.00 0.00 H new ATOM 174 N VAL A 12 6.333 12.907 -25.504 1.00 0.00 N ATOM 175 CA VAL A 12 7.450 13.818 -25.345 1.00 0.00 C ATOM 176 C VAL A 12 7.685 14.616 -26.623 1.00 0.00 C ATOM 177 O VAL A 12 8.148 14.081 -27.637 1.00 0.00 O ATOM 178 CB VAL A 12 8.744 13.066 -24.925 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.996 11.841 -25.805 1.00 0.00 C ATOM 180 CG2 VAL A 12 9.945 14.000 -24.952 1.00 0.00 C ATOM 0 H VAL A 12 6.188 12.583 -26.460 1.00 0.00 H new ATOM 0 HA VAL A 12 7.195 14.513 -24.545 1.00 0.00 H new ATOM 0 HB VAL A 12 8.600 12.715 -23.903 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.909 11.342 -25.481 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.156 11.152 -25.719 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.103 12.155 -26.843 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.839 13.452 -24.655 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.078 14.392 -25.960 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.779 14.826 -24.261 1.00 0.00 H new ATOM 190 N LYS A 13 7.318 15.885 -26.580 1.00 0.00 N ATOM 191 CA LYS A 13 7.469 16.776 -27.715 1.00 0.00 C ATOM 192 C LYS A 13 7.907 18.142 -27.222 1.00 0.00 C ATOM 193 O LYS A 13 7.119 18.875 -26.621 1.00 0.00 O ATOM 194 CB LYS A 13 6.147 16.884 -28.480 1.00 0.00 C ATOM 195 CG LYS A 13 5.672 15.553 -29.044 1.00 0.00 C ATOM 196 CD LYS A 13 4.354 15.693 -29.769 1.00 0.00 C ATOM 197 CE LYS A 13 3.897 14.354 -30.325 1.00 0.00 C ATOM 198 NZ LYS A 13 2.597 14.452 -31.041 1.00 0.00 N ATOM 0 H LYS A 13 6.907 16.326 -25.757 1.00 0.00 H new ATOM 0 HA LYS A 13 8.225 16.378 -28.392 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.381 17.284 -27.815 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.264 17.597 -29.296 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.424 15.158 -29.728 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.567 14.831 -28.234 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.599 16.085 -29.087 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.455 16.413 -30.581 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.656 13.968 -31.006 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.806 13.637 -29.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.328 13.514 -31.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.865 14.795 -30.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.688 15.116 -31.836 1.00 0.00 H new ATOM 212 N GLU A 14 9.172 18.461 -27.466 1.00 0.00 N ATOM 213 CA GLU A 14 9.791 19.698 -27.004 1.00 0.00 C ATOM 214 C GLU A 14 9.802 19.769 -25.481 1.00 0.00 C ATOM 215 O GLU A 14 8.924 20.372 -24.853 1.00 0.00 O ATOM 216 CB GLU A 14 9.140 20.953 -27.603 1.00 0.00 C ATOM 217 CG GLU A 14 9.828 22.235 -27.164 1.00 0.00 C ATOM 218 CD GLU A 14 9.216 23.482 -27.756 1.00 0.00 C ATOM 219 OE1 GLU A 14 8.048 23.440 -28.194 1.00 0.00 O ATOM 220 OE2 GLU A 14 9.907 24.525 -27.782 1.00 0.00 O ATOM 0 H GLU A 14 9.804 17.862 -27.996 1.00 0.00 H new ATOM 0 HA GLU A 14 10.821 19.679 -27.361 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.164 20.886 -28.691 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.091 20.989 -27.309 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.791 22.303 -26.077 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.880 22.188 -27.445 1.00 0.00 H new ATOM 227 N THR A 15 10.757 19.111 -24.895 1.00 0.00 N ATOM 228 CA THR A 15 10.912 19.102 -23.481 1.00 0.00 C ATOM 229 C THR A 15 11.760 20.284 -23.058 1.00 0.00 C ATOM 230 O THR A 15 12.796 20.560 -23.670 1.00 0.00 O ATOM 231 CB THR A 15 11.602 17.825 -23.058 1.00 0.00 C ATOM 232 OG1 THR A 15 11.079 16.733 -23.819 1.00 0.00 O ATOM 233 CG2 THR A 15 11.366 17.568 -21.608 1.00 0.00 C ATOM 0 H THR A 15 11.455 18.561 -25.395 1.00 0.00 H new ATOM 0 HA THR A 15 9.931 19.165 -23.010 1.00 0.00 H new ATOM 0 HB THR A 15 12.673 17.925 -23.233 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.525 15.903 -23.549 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.868 16.646 -21.316 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.762 18.398 -21.022 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.296 17.472 -21.425 1.00 0.00 H new ATOM 241 N THR A 16 11.341 20.993 -22.035 1.00 0.00 N ATOM 242 CA THR A 16 12.111 22.113 -21.590 1.00 0.00 C ATOM 243 C THR A 16 13.164 21.677 -20.632 1.00 0.00 C ATOM 244 O THR A 16 13.090 20.600 -20.068 1.00 0.00 O ATOM 245 CB THR A 16 11.252 23.204 -20.944 1.00 0.00 C ATOM 246 OG1 THR A 16 10.566 22.694 -19.798 1.00 0.00 O ATOM 247 CG2 THR A 16 10.262 23.735 -21.925 1.00 0.00 C ATOM 0 H THR A 16 10.486 20.813 -21.509 1.00 0.00 H new ATOM 0 HA THR A 16 12.573 22.542 -22.479 1.00 0.00 H new ATOM 0 HB THR A 16 11.912 24.012 -20.629 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.024 23.406 -19.398 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.659 24.509 -21.451 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.789 24.158 -22.780 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.614 22.926 -22.262 1.00 0.00 H new ATOM 255 N TYR A 17 14.142 22.516 -20.447 1.00 0.00 N ATOM 256 CA TYR A 17 15.235 22.226 -19.530 1.00 0.00 C ATOM 257 C TYR A 17 14.692 22.139 -18.127 1.00 0.00 C ATOM 258 O TYR A 17 15.206 21.402 -17.293 1.00 0.00 O ATOM 259 CB TYR A 17 16.311 23.307 -19.653 1.00 0.00 C ATOM 260 CG TYR A 17 16.755 23.493 -21.091 1.00 0.00 C ATOM 261 CD1 TYR A 17 17.617 22.594 -21.699 1.00 0.00 C ATOM 262 CD2 TYR A 17 16.272 24.548 -21.849 1.00 0.00 C ATOM 263 CE1 TYR A 17 17.988 22.748 -23.025 1.00 0.00 C ATOM 264 CE2 TYR A 17 16.629 24.706 -23.169 1.00 0.00 C ATOM 265 CZ TYR A 17 17.485 23.808 -23.755 1.00 0.00 C ATOM 266 OH TYR A 17 17.834 23.964 -25.079 1.00 0.00 O ATOM 0 H TYR A 17 14.215 23.418 -20.918 1.00 0.00 H new ATOM 0 HA TYR A 17 15.695 21.270 -19.779 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.926 24.250 -19.266 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.170 23.037 -19.039 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.005 21.761 -21.131 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.601 25.262 -21.394 1.00 0.00 H new ATOM 0 HE1 TYR A 17 18.666 22.044 -23.485 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.237 25.534 -23.741 1.00 0.00 H new ATOM 0 HH TYR A 17 17.392 24.759 -25.442 1.00 0.00 H new ATOM 276 N TYR A 18 13.628 22.886 -17.878 1.00 0.00 N ATOM 277 CA TYR A 18 12.974 22.865 -16.620 1.00 0.00 C ATOM 278 C TYR A 18 12.181 21.552 -16.499 1.00 0.00 C ATOM 279 O TYR A 18 12.139 20.925 -15.442 1.00 0.00 O ATOM 280 CB TYR A 18 12.040 24.072 -16.518 1.00 0.00 C ATOM 281 CG TYR A 18 12.700 25.434 -16.805 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.091 25.576 -16.936 1.00 0.00 C ATOM 283 CD2 TYR A 18 11.922 26.574 -16.946 1.00 0.00 C ATOM 284 CE1 TYR A 18 14.664 26.806 -17.202 1.00 0.00 C ATOM 285 CE2 TYR A 18 12.495 27.808 -17.211 1.00 0.00 C ATOM 286 CZ TYR A 18 13.865 27.917 -17.338 1.00 0.00 C ATOM 287 OH TYR A 18 14.431 29.147 -17.601 1.00 0.00 O ATOM 0 H TYR A 18 13.208 23.519 -18.558 1.00 0.00 H new ATOM 0 HA TYR A 18 13.701 22.919 -15.809 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.213 23.932 -17.215 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.612 24.097 -15.516 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.725 24.708 -16.827 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.849 26.499 -16.847 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.736 26.894 -17.303 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.871 28.683 -17.318 1.00 0.00 H new ATOM 0 HH TYR A 18 14.957 29.095 -18.426 1.00 0.00 H new ATOM 297 N ASP A 19 11.561 21.150 -17.621 1.00 0.00 N ATOM 298 CA ASP A 19 10.774 19.905 -17.707 1.00 0.00 C ATOM 299 C ASP A 19 11.664 18.669 -17.526 1.00 0.00 C ATOM 300 O ASP A 19 11.293 17.722 -16.838 1.00 0.00 O ATOM 301 CB ASP A 19 10.039 19.826 -19.065 1.00 0.00 C ATOM 302 CG ASP A 19 8.986 18.723 -19.096 1.00 0.00 C ATOM 303 OD1 ASP A 19 9.329 17.564 -19.388 1.00 0.00 O ATOM 304 OD2 ASP A 19 7.806 19.019 -18.818 1.00 0.00 O ATOM 0 H ASP A 19 11.590 21.677 -18.494 1.00 0.00 H new ATOM 0 HA ASP A 19 10.041 19.920 -16.901 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.563 20.784 -19.273 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.766 19.652 -19.858 1.00 0.00 H new ATOM 309 N VAL A 20 12.843 18.709 -18.144 1.00 0.00 N ATOM 310 CA VAL A 20 13.828 17.620 -18.070 1.00 0.00 C ATOM 311 C VAL A 20 14.250 17.380 -16.625 1.00 0.00 C ATOM 312 O VAL A 20 14.360 16.240 -16.168 1.00 0.00 O ATOM 313 CB VAL A 20 15.081 17.946 -18.930 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.131 16.870 -18.816 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.703 18.139 -20.368 1.00 0.00 C ATOM 0 H VAL A 20 13.148 19.499 -18.713 1.00 0.00 H new ATOM 0 HA VAL A 20 13.358 16.718 -18.462 1.00 0.00 H new ATOM 0 HB VAL A 20 15.504 18.874 -18.544 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.991 17.134 -19.431 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.444 16.776 -17.776 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.718 15.921 -19.158 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.595 18.366 -20.951 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.243 17.227 -20.749 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.996 18.964 -20.451 1.00 0.00 H new ATOM 325 N LEU A 21 14.464 18.468 -15.912 1.00 0.00 N ATOM 326 CA LEU A 21 14.865 18.394 -14.510 1.00 0.00 C ATOM 327 C LEU A 21 13.648 18.226 -13.614 1.00 0.00 C ATOM 328 O LEU A 21 13.780 18.011 -12.415 1.00 0.00 O ATOM 329 CB LEU A 21 15.655 19.654 -14.081 1.00 0.00 C ATOM 330 CG LEU A 21 17.169 19.677 -14.377 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.915 18.672 -13.530 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.448 19.428 -15.838 1.00 0.00 C ATOM 0 H LEU A 21 14.368 19.416 -16.275 1.00 0.00 H new ATOM 0 HA LEU A 21 15.515 17.526 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.203 20.517 -14.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.519 19.787 -13.008 1.00 0.00 H new ATOM 0 HG LEU A 21 17.526 20.675 -14.121 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.978 18.716 -13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.767 18.904 -12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.539 17.670 -13.738 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.524 19.451 -16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.055 18.452 -16.122 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.967 20.201 -16.437 1.00 0.00 H new ATOM 344 N GLY A 22 12.466 18.310 -14.206 1.00 0.00 N ATOM 345 CA GLY A 22 11.247 18.181 -13.445 1.00 0.00 C ATOM 346 C GLY A 22 11.114 19.286 -12.421 1.00 0.00 C ATOM 347 O GLY A 22 10.576 19.079 -11.329 1.00 0.00 O ATOM 0 H GLY A 22 12.332 18.466 -15.205 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.391 18.204 -14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.231 17.214 -12.943 1.00 0.00 H new ATOM 351 N VAL A 23 11.597 20.463 -12.771 1.00 0.00 N ATOM 352 CA VAL A 23 11.614 21.571 -11.854 1.00 0.00 C ATOM 353 C VAL A 23 10.708 22.699 -12.356 1.00 0.00 C ATOM 354 O VAL A 23 10.258 22.679 -13.505 1.00 0.00 O ATOM 355 CB VAL A 23 13.065 22.084 -11.649 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.424 23.190 -12.621 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.292 22.498 -10.214 1.00 0.00 C ATOM 0 H VAL A 23 11.984 20.670 -13.692 1.00 0.00 H new ATOM 0 HA VAL A 23 11.232 21.229 -10.892 1.00 0.00 H new ATOM 0 HB VAL A 23 13.739 21.255 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.448 23.516 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.338 22.819 -13.642 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.745 24.031 -12.482 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.316 22.854 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.598 23.296 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.127 21.643 -9.558 1.00 0.00 H new ATOM 367 N LYS A 24 10.435 23.663 -11.494 1.00 0.00 N ATOM 368 CA LYS A 24 9.568 24.772 -11.834 1.00 0.00 C ATOM 369 C LYS A 24 10.363 25.886 -12.522 1.00 0.00 C ATOM 370 O LYS A 24 11.578 25.971 -12.380 1.00 0.00 O ATOM 371 CB LYS A 24 8.903 25.327 -10.580 1.00 0.00 C ATOM 372 CG LYS A 24 8.026 24.338 -9.824 1.00 0.00 C ATOM 373 CD LYS A 24 7.405 24.978 -8.583 1.00 0.00 C ATOM 374 CE LYS A 24 8.458 25.583 -7.670 1.00 0.00 C ATOM 375 NZ LYS A 24 7.872 26.102 -6.409 1.00 0.00 N ATOM 0 H LYS A 24 10.807 23.697 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 24 8.802 24.406 -12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.679 25.690 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.296 26.188 -10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.236 23.974 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.621 23.473 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.701 25.752 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.836 24.228 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.211 24.830 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.968 26.392 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.625 26.506 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.172 26.839 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.407 25.325 -5.897 1.00 0.00 H new ATOM 389 N PRO A 25 9.686 26.754 -13.266 1.00 0.00 N ATOM 390 CA PRO A 25 10.323 27.900 -13.940 1.00 0.00 C ATOM 391 C PRO A 25 10.891 28.914 -12.934 1.00 0.00 C ATOM 392 O PRO A 25 11.776 29.711 -13.264 1.00 0.00 O ATOM 393 CB PRO A 25 9.165 28.533 -14.724 1.00 0.00 C ATOM 394 CG PRO A 25 8.128 27.468 -14.808 1.00 0.00 C ATOM 395 CD PRO A 25 8.254 26.679 -13.546 1.00 0.00 C ATOM 0 HA PRO A 25 11.166 27.596 -14.560 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.782 29.418 -14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.487 28.850 -15.716 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.131 27.899 -14.902 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.286 26.836 -15.682 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.660 27.108 -12.739 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.920 25.650 -13.676 1.00 0.00 H new ATOM 403 N ASN A 26 10.410 28.844 -11.698 1.00 0.00 N ATOM 404 CA ASN A 26 10.806 29.771 -10.653 1.00 0.00 C ATOM 405 C ASN A 26 11.600 29.045 -9.590 1.00 0.00 C ATOM 406 O ASN A 26 11.761 29.532 -8.468 1.00 0.00 O ATOM 407 CB ASN A 26 9.567 30.438 -10.031 1.00 0.00 C ATOM 408 CG ASN A 26 8.641 29.455 -9.324 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.553 28.283 -9.693 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.942 29.932 -8.313 1.00 0.00 N ATOM 0 H ASN A 26 9.735 28.142 -11.396 1.00 0.00 H new ATOM 0 HA ASN A 26 11.433 30.547 -11.092 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.891 31.197 -9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.009 30.953 -10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.300 29.324 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.044 30.909 -8.039 1.00 0.00 H new ATOM 417 N ALA A 27 12.096 27.875 -9.957 1.00 0.00 N ATOM 418 CA ALA A 27 12.866 27.056 -9.064 1.00 0.00 C ATOM 419 C ALA A 27 14.158 27.723 -8.698 1.00 0.00 C ATOM 420 O ALA A 27 14.765 28.425 -9.513 1.00 0.00 O ATOM 421 CB ALA A 27 13.127 25.729 -9.703 1.00 0.00 C ATOM 0 H ALA A 27 11.970 27.474 -10.887 1.00 0.00 H new ATOM 0 HA ALA A 27 12.296 26.910 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.712 25.107 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.179 25.237 -9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.681 25.874 -10.630 1.00 0.00 H new ATOM 427 N THR A 28 14.572 27.508 -7.485 1.00 0.00 N ATOM 428 CA THR A 28 15.759 28.106 -6.969 1.00 0.00 C ATOM 429 C THR A 28 16.968 27.336 -7.371 1.00 0.00 C ATOM 430 O THR A 28 16.869 26.202 -7.827 1.00 0.00 O ATOM 431 CB THR A 28 15.696 28.172 -5.441 1.00 0.00 C ATOM 432 OG1 THR A 28 15.688 26.846 -4.892 1.00 0.00 O ATOM 433 CG2 THR A 28 14.437 28.850 -5.046 1.00 0.00 C ATOM 0 H THR A 28 14.087 26.905 -6.821 1.00 0.00 H new ATOM 0 HA THR A 28 15.828 29.113 -7.382 1.00 0.00 H new ATOM 0 HB THR A 28 16.564 28.716 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.336 26.873 -3.978 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.379 28.904 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.421 29.858 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.585 28.287 -5.428 1.00 0.00 H new ATOM 441 N GLN A 29 18.107 27.956 -7.207 1.00 0.00 N ATOM 442 CA GLN A 29 19.369 27.297 -7.449 1.00 0.00 C ATOM 443 C GLN A 29 19.436 26.021 -6.606 1.00 0.00 C ATOM 444 O GLN A 29 19.952 24.990 -7.047 1.00 0.00 O ATOM 445 CB GLN A 29 20.518 28.256 -7.130 1.00 0.00 C ATOM 446 CG GLN A 29 21.842 27.930 -7.828 1.00 0.00 C ATOM 447 CD GLN A 29 22.570 26.747 -7.215 1.00 0.00 C ATOM 448 OE1 GLN A 29 22.481 26.500 -6.013 1.00 0.00 O ATOM 449 NE2 GLN A 29 23.299 26.018 -8.032 1.00 0.00 N ATOM 0 H GLN A 29 18.189 28.926 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 29 19.459 27.015 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.217 29.266 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.683 28.257 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.648 27.723 -8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.490 28.806 -7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.347 26.256 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 29 23.816 25.215 -7.675 1.00 0.00 H new ATOM 458 N GLU A 30 18.862 26.099 -5.410 1.00 0.00 N ATOM 459 CA GLU A 30 18.793 24.965 -4.506 1.00 0.00 C ATOM 460 C GLU A 30 17.863 23.907 -5.076 1.00 0.00 C ATOM 461 O GLU A 30 18.165 22.712 -5.059 1.00 0.00 O ATOM 462 CB GLU A 30 18.247 25.417 -3.161 1.00 0.00 C ATOM 463 CG GLU A 30 18.218 24.320 -2.121 1.00 0.00 C ATOM 464 CD GLU A 30 17.485 24.737 -0.869 1.00 0.00 C ATOM 465 OE1 GLU A 30 18.118 25.327 0.027 1.00 0.00 O ATOM 466 OE2 GLU A 30 16.265 24.468 -0.773 1.00 0.00 O ATOM 0 H GLU A 30 18.434 26.949 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 30 19.794 24.551 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.855 26.242 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.237 25.802 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.740 23.436 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.239 24.038 -1.865 1.00 0.00 H new ATOM 473 N GLU A 31 16.726 24.364 -5.591 1.00 0.00 N ATOM 474 CA GLU A 31 15.733 23.498 -6.147 1.00 0.00 C ATOM 475 C GLU A 31 16.258 22.808 -7.389 1.00 0.00 C ATOM 476 O GLU A 31 15.943 21.649 -7.646 1.00 0.00 O ATOM 477 CB GLU A 31 14.445 24.279 -6.426 1.00 0.00 C ATOM 478 CG GLU A 31 13.312 23.396 -6.885 1.00 0.00 C ATOM 479 CD GLU A 31 11.949 24.045 -6.754 1.00 0.00 C ATOM 480 OE1 GLU A 31 11.622 24.523 -5.638 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.183 24.046 -7.740 1.00 0.00 O ATOM 0 H GLU A 31 16.481 25.354 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 31 15.497 22.719 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.144 24.808 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.642 25.034 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.476 23.120 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.323 22.473 -6.305 1.00 0.00 H new ATOM 488 N LEU A 32 17.071 23.520 -8.140 1.00 0.00 N ATOM 489 CA LEU A 32 17.718 22.966 -9.316 1.00 0.00 C ATOM 490 C LEU A 32 18.616 21.782 -8.930 1.00 0.00 C ATOM 491 O LEU A 32 18.612 20.743 -9.595 1.00 0.00 O ATOM 492 CB LEU A 32 18.537 24.039 -10.032 1.00 0.00 C ATOM 493 CG LEU A 32 17.769 24.959 -10.993 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.283 24.998 -10.670 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.337 26.356 -10.957 1.00 0.00 C ATOM 0 H LEU A 32 17.303 24.496 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 32 16.944 22.608 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 19.020 24.660 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.330 23.545 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 32 17.886 24.548 -11.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.775 25.659 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.867 23.994 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.141 25.369 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.780 26.993 -11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.257 26.755 -9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.385 26.330 -11.255 1.00 0.00 H new ATOM 507 N LYS A 33 19.376 21.944 -7.835 1.00 0.00 N ATOM 508 CA LYS A 33 20.243 20.875 -7.330 1.00 0.00 C ATOM 509 C LYS A 33 19.423 19.680 -6.878 1.00 0.00 C ATOM 510 O LYS A 33 19.756 18.521 -7.171 1.00 0.00 O ATOM 511 CB LYS A 33 21.078 21.357 -6.143 1.00 0.00 C ATOM 512 CG LYS A 33 22.123 22.405 -6.468 1.00 0.00 C ATOM 513 CD LYS A 33 22.925 22.757 -5.226 1.00 0.00 C ATOM 514 CE LYS A 33 23.986 23.798 -5.518 1.00 0.00 C ATOM 515 NZ LYS A 33 24.794 24.114 -4.315 1.00 0.00 N ATOM 0 H LYS A 33 19.406 22.803 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 33 20.901 20.586 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.405 21.761 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.577 20.496 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.790 22.034 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.640 23.299 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.253 23.130 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.397 21.857 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.641 23.437 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.511 24.708 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.509 24.830 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.173 24.482 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.268 23.251 -3.978 1.00 0.00 H new ATOM 529 N LYS A 34 18.361 19.973 -6.153 1.00 0.00 N ATOM 530 CA LYS A 34 17.481 18.959 -5.622 1.00 0.00 C ATOM 531 C LYS A 34 16.778 18.178 -6.725 1.00 0.00 C ATOM 532 O LYS A 34 16.563 16.967 -6.591 1.00 0.00 O ATOM 533 CB LYS A 34 16.493 19.561 -4.619 1.00 0.00 C ATOM 534 CG LYS A 34 17.161 19.975 -3.308 1.00 0.00 C ATOM 535 CD LYS A 34 16.177 20.602 -2.328 1.00 0.00 C ATOM 536 CE LYS A 34 16.867 20.950 -1.000 1.00 0.00 C ATOM 537 NZ LYS A 34 15.933 21.585 -0.036 1.00 0.00 N ATOM 0 H LYS A 34 18.086 20.926 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 34 18.096 18.239 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.011 20.430 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.708 18.835 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.622 19.102 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.961 20.684 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.747 21.503 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.353 19.913 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.282 20.044 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.703 21.623 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.234 21.366 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.937 22.616 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.972 21.219 -0.191 1.00 0.00 H new ATOM 551 N ALA A 35 16.425 18.865 -7.813 1.00 0.00 N ATOM 552 CA ALA A 35 15.801 18.215 -8.959 1.00 0.00 C ATOM 553 C ALA A 35 16.723 17.145 -9.509 1.00 0.00 C ATOM 554 O ALA A 35 16.320 16.001 -9.677 1.00 0.00 O ATOM 555 CB ALA A 35 15.477 19.231 -10.042 1.00 0.00 C ATOM 0 H ALA A 35 16.562 19.870 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 35 14.870 17.753 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.012 18.725 -10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.791 19.980 -9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.395 19.718 -10.370 1.00 0.00 H new ATOM 561 N TYR A 36 17.988 17.522 -9.749 1.00 0.00 N ATOM 562 CA TYR A 36 18.992 16.587 -10.256 1.00 0.00 C ATOM 563 C TYR A 36 19.168 15.414 -9.305 1.00 0.00 C ATOM 564 O TYR A 36 19.243 14.267 -9.732 1.00 0.00 O ATOM 565 CB TYR A 36 20.331 17.304 -10.483 1.00 0.00 C ATOM 566 CG TYR A 36 21.501 16.386 -10.819 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.721 15.945 -12.115 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.388 15.969 -9.823 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.792 15.117 -12.417 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.457 15.140 -10.116 1.00 0.00 C ATOM 571 CZ TYR A 36 23.656 14.718 -11.412 1.00 0.00 C ATOM 572 OH TYR A 36 24.724 13.893 -11.710 1.00 0.00 O ATOM 0 H TYR A 36 18.336 18.469 -9.599 1.00 0.00 H new ATOM 0 HA TYR A 36 18.642 16.199 -11.213 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.209 18.024 -11.292 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.579 17.872 -9.586 1.00 0.00 H new ATOM 0 HD1 TYR A 36 21.048 16.251 -12.902 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.237 16.300 -8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.951 14.785 -13.432 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.131 14.826 -9.333 1.00 0.00 H new ATOM 0 HH TYR A 36 25.233 13.708 -10.893 1.00 0.00 H new ATOM 582 N ARG A 37 19.224 15.710 -8.016 1.00 0.00 N ATOM 583 CA ARG A 37 19.392 14.674 -6.999 1.00 0.00 C ATOM 584 C ARG A 37 18.236 13.674 -7.041 1.00 0.00 C ATOM 585 O ARG A 37 18.450 12.462 -6.970 1.00 0.00 O ATOM 586 CB ARG A 37 19.505 15.292 -5.604 1.00 0.00 C ATOM 587 CG ARG A 37 19.976 14.315 -4.533 1.00 0.00 C ATOM 588 CD ARG A 37 20.088 14.991 -3.175 1.00 0.00 C ATOM 589 NE ARG A 37 21.082 16.073 -3.177 1.00 0.00 N ATOM 590 CZ ARG A 37 21.386 16.824 -2.116 1.00 0.00 C ATOM 591 NH1 ARG A 37 20.808 16.596 -0.941 1.00 0.00 N ATOM 592 NH2 ARG A 37 22.271 17.805 -2.238 1.00 0.00 N ATOM 0 H ARG A 37 19.156 16.658 -7.645 1.00 0.00 H new ATOM 0 HA ARG A 37 20.317 14.141 -7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.197 16.133 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.533 15.693 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.279 13.480 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.944 13.901 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.116 15.393 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.360 14.250 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 37 21.574 16.264 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.127 15.843 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.046 17.174 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.715 17.982 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.507 18.382 -1.431 1.00 0.00 H new ATOM 606 N LYS A 38 17.018 14.191 -7.164 1.00 0.00 N ATOM 607 CA LYS A 38 15.828 13.356 -7.217 1.00 0.00 C ATOM 608 C LYS A 38 15.854 12.454 -8.450 1.00 0.00 C ATOM 609 O LYS A 38 15.589 11.252 -8.367 1.00 0.00 O ATOM 610 CB LYS A 38 14.565 14.225 -7.222 1.00 0.00 C ATOM 611 CG LYS A 38 13.265 13.433 -7.156 1.00 0.00 C ATOM 612 CD LYS A 38 12.063 14.354 -7.091 1.00 0.00 C ATOM 613 CE LYS A 38 10.768 13.564 -7.010 1.00 0.00 C ATOM 614 NZ LYS A 38 9.578 14.447 -6.897 1.00 0.00 N ATOM 0 H LYS A 38 16.831 15.192 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 38 15.815 12.724 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.604 14.909 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.561 14.836 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.185 12.788 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.276 12.783 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.149 15.007 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.046 14.996 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.671 12.937 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.805 12.896 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.718 13.865 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.657 15.027 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.526 15.068 -7.730 1.00 0.00 H new ATOM 628 N LEU A 39 16.192 13.043 -9.590 1.00 0.00 N ATOM 629 CA LEU A 39 16.263 12.316 -10.855 1.00 0.00 C ATOM 630 C LEU A 39 17.345 11.275 -10.806 1.00 0.00 C ATOM 631 O LEU A 39 17.178 10.175 -11.308 1.00 0.00 O ATOM 632 CB LEU A 39 16.547 13.271 -11.980 1.00 0.00 C ATOM 633 CG LEU A 39 15.625 14.449 -12.050 1.00 0.00 C ATOM 634 CD1 LEU A 39 16.064 15.415 -13.120 1.00 0.00 C ATOM 635 CD2 LEU A 39 14.191 14.010 -12.274 1.00 0.00 C ATOM 0 H LEU A 39 16.424 14.033 -9.666 1.00 0.00 H new ATOM 0 HA LEU A 39 15.304 11.825 -11.022 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.570 13.633 -11.881 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.491 12.727 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 39 15.671 14.964 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.378 16.261 -13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 39 17.070 15.771 -12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 16.062 14.912 -14.087 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.545 14.887 -12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.122 13.458 -13.211 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.874 13.369 -11.451 1.00 0.00 H new ATOM 647 N ALA A 40 18.457 11.640 -10.205 1.00 0.00 N ATOM 648 CA ALA A 40 19.598 10.741 -10.073 1.00 0.00 C ATOM 649 C ALA A 40 19.221 9.477 -9.323 1.00 0.00 C ATOM 650 O ALA A 40 19.651 8.397 -9.678 1.00 0.00 O ATOM 651 CB ALA A 40 20.758 11.447 -9.393 1.00 0.00 C ATOM 0 H ALA A 40 18.602 12.562 -9.794 1.00 0.00 H new ATOM 0 HA ALA A 40 19.912 10.449 -11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.600 10.760 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.056 12.311 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.452 11.777 -8.400 1.00 0.00 H new ATOM 657 N LEU A 41 18.427 9.628 -8.291 1.00 0.00 N ATOM 658 CA LEU A 41 17.959 8.510 -7.519 1.00 0.00 C ATOM 659 C LEU A 41 17.044 7.605 -8.361 1.00 0.00 C ATOM 660 O LEU A 41 17.092 6.377 -8.251 1.00 0.00 O ATOM 661 CB LEU A 41 17.223 9.019 -6.288 1.00 0.00 C ATOM 662 CG LEU A 41 18.085 9.751 -5.262 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.218 10.323 -4.156 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.146 8.821 -4.688 1.00 0.00 C ATOM 0 H LEU A 41 18.088 10.533 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 41 18.816 7.914 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.428 9.690 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.744 8.172 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 41 18.593 10.575 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.847 10.842 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.501 11.024 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.683 9.514 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.749 9.363 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.663 7.974 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.787 8.460 -5.492 1.00 0.00 H new ATOM 676 N LYS A 42 16.211 8.226 -9.184 1.00 0.00 N ATOM 677 CA LYS A 42 15.260 7.513 -10.009 1.00 0.00 C ATOM 678 C LYS A 42 15.911 6.846 -11.235 1.00 0.00 C ATOM 679 O LYS A 42 15.786 5.636 -11.442 1.00 0.00 O ATOM 680 CB LYS A 42 14.208 8.481 -10.493 1.00 0.00 C ATOM 681 CG LYS A 42 13.351 9.068 -9.405 1.00 0.00 C ATOM 682 CD LYS A 42 12.508 8.010 -8.714 1.00 0.00 C ATOM 683 CE LYS A 42 11.633 8.629 -7.639 1.00 0.00 C ATOM 684 NZ LYS A 42 10.797 7.618 -6.951 1.00 0.00 N ATOM 0 H LYS A 42 16.179 9.239 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 42 14.829 6.724 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.699 9.293 -11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.564 7.970 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.986 9.563 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.699 9.832 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.883 7.501 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.157 7.255 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.262 9.137 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.990 9.386 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.241 8.079 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.154 7.174 -7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.409 6.890 -6.529 1.00 0.00 H new ATOM 698 N TYR A 43 16.613 7.650 -12.028 1.00 0.00 N ATOM 699 CA TYR A 43 17.151 7.204 -13.317 1.00 0.00 C ATOM 700 C TYR A 43 18.671 7.090 -13.300 1.00 0.00 C ATOM 701 O TYR A 43 19.318 7.343 -14.319 1.00 0.00 O ATOM 702 CB TYR A 43 16.722 8.183 -14.430 1.00 0.00 C ATOM 703 CG TYR A 43 15.232 8.450 -14.466 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.351 7.524 -15.006 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.707 9.629 -13.949 1.00 0.00 C ATOM 706 CE1 TYR A 43 12.996 7.766 -15.032 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.346 9.875 -13.974 1.00 0.00 C ATOM 708 CZ TYR A 43 12.496 8.939 -14.513 1.00 0.00 C ATOM 709 OH TYR A 43 11.136 9.176 -14.540 1.00 0.00 O ATOM 0 H TYR A 43 16.826 8.622 -11.802 1.00 0.00 H new ATOM 0 HA TYR A 43 16.746 6.211 -13.511 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.248 9.128 -14.293 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.033 7.782 -15.394 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.734 6.599 -15.412 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.372 10.364 -13.521 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.325 7.036 -15.460 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.953 10.797 -13.572 1.00 0.00 H new ATOM 0 HH TYR A 43 10.948 10.048 -14.134 1.00 0.00 H new ATOM 719 N HIS A 44 19.235 6.716 -12.151 1.00 0.00 N ATOM 720 CA HIS A 44 20.697 6.565 -11.999 1.00 0.00 C ATOM 721 C HIS A 44 21.293 5.750 -13.159 1.00 0.00 C ATOM 722 O HIS A 44 21.041 4.554 -13.265 1.00 0.00 O ATOM 723 CB HIS A 44 21.015 5.872 -10.671 1.00 0.00 C ATOM 724 CG HIS A 44 22.420 6.092 -10.205 1.00 0.00 C ATOM 725 ND1 HIS A 44 22.804 7.172 -9.437 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.537 5.369 -10.403 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.096 7.096 -9.188 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.565 6.017 -9.763 1.00 0.00 N ATOM 0 H HIS A 44 18.706 6.509 -11.304 1.00 0.00 H new ATOM 0 HA HIS A 44 21.142 7.560 -12.010 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.326 6.234 -9.907 1.00 0.00 H new ATOM 0 HB3 HIS A 44 20.839 4.802 -10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 44 23.612 4.448 -10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 44 24.670 7.803 -8.608 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.537 5.708 -9.739 1.00 0.00 H new ATOM 736 N PRO A 45 22.117 6.391 -14.029 1.00 0.00 N ATOM 737 CA PRO A 45 22.690 5.737 -15.219 1.00 0.00 C ATOM 738 C PRO A 45 23.542 4.515 -14.891 1.00 0.00 C ATOM 739 O PRO A 45 23.589 3.561 -15.664 1.00 0.00 O ATOM 740 CB PRO A 45 23.543 6.831 -15.863 1.00 0.00 C ATOM 741 CG PRO A 45 23.776 7.816 -14.783 1.00 0.00 C ATOM 742 CD PRO A 45 22.549 7.793 -13.926 1.00 0.00 C ATOM 0 HA PRO A 45 21.904 5.351 -15.868 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.483 6.428 -16.240 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.029 7.286 -16.709 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.661 7.556 -14.203 1.00 0.00 H new ATOM 0 HG3 PRO A 45 23.946 8.811 -15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 45 22.768 8.076 -12.896 1.00 0.00 H new ATOM 0 HD3 PRO A 45 21.786 8.481 -14.291 1.00 0.00 H new ATOM 750 N ASP A 46 24.203 4.540 -13.737 1.00 0.00 N ATOM 751 CA ASP A 46 25.032 3.413 -13.312 1.00 0.00 C ATOM 752 C ASP A 46 24.158 2.250 -12.851 1.00 0.00 C ATOM 753 O ASP A 46 24.638 1.137 -12.673 1.00 0.00 O ATOM 754 CB ASP A 46 25.994 3.815 -12.180 1.00 0.00 C ATOM 755 CG ASP A 46 26.934 4.925 -12.577 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.959 4.646 -13.229 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.656 6.091 -12.221 1.00 0.00 O ATOM 0 H ASP A 46 24.182 5.322 -13.082 1.00 0.00 H new ATOM 0 HA ASP A 46 25.625 3.102 -14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.415 4.129 -11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.575 2.944 -11.877 1.00 0.00 H new ATOM 762 N LYS A 47 22.875 2.515 -12.639 1.00 0.00 N ATOM 763 CA LYS A 47 21.952 1.477 -12.196 1.00 0.00 C ATOM 764 C LYS A 47 21.018 1.072 -13.340 1.00 0.00 C ATOM 765 O LYS A 47 20.647 -0.096 -13.479 1.00 0.00 O ATOM 766 CB LYS A 47 21.139 1.967 -10.998 1.00 0.00 C ATOM 767 CG LYS A 47 20.547 0.840 -10.170 1.00 0.00 C ATOM 768 CD LYS A 47 19.861 1.360 -8.925 1.00 0.00 C ATOM 769 CE LYS A 47 19.295 0.218 -8.093 1.00 0.00 C ATOM 770 NZ LYS A 47 18.640 0.698 -6.860 1.00 0.00 N ATOM 0 H LYS A 47 22.451 3.434 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 47 22.530 0.604 -11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.777 2.579 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.333 2.609 -11.353 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.831 0.282 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.336 0.143 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.570 1.932 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.058 2.042 -9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.576 -0.342 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 47 20.098 -0.471 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.270 -0.113 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.332 1.211 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.857 1.335 -7.109 1.00 0.00 H new ATOM 784 N ASN A 48 20.657 2.046 -14.155 1.00 0.00 N ATOM 785 CA ASN A 48 19.819 1.810 -15.317 1.00 0.00 C ATOM 786 C ASN A 48 20.392 2.520 -16.528 1.00 0.00 C ATOM 787 O ASN A 48 20.083 3.687 -16.793 1.00 0.00 O ATOM 788 CB ASN A 48 18.382 2.270 -15.089 1.00 0.00 C ATOM 789 CG ASN A 48 17.688 1.551 -13.944 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.749 1.978 -12.795 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.022 0.457 -14.256 1.00 0.00 N ATOM 0 H ASN A 48 20.935 3.020 -14.031 1.00 0.00 H new ATOM 0 HA ASN A 48 19.804 0.734 -15.491 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.380 3.341 -14.889 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.810 2.115 -16.004 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.533 -0.067 -13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.995 0.135 -15.223 1.00 0.00 H new ATOM 798 N PRO A 49 21.258 1.835 -17.255 1.00 0.00 N ATOM 799 CA PRO A 49 21.862 2.351 -18.454 1.00 0.00 C ATOM 800 C PRO A 49 20.826 2.637 -19.540 1.00 0.00 C ATOM 801 O PRO A 49 21.053 3.455 -20.431 1.00 0.00 O ATOM 802 CB PRO A 49 22.797 1.236 -18.888 1.00 0.00 C ATOM 803 CG PRO A 49 22.305 0.041 -18.212 1.00 0.00 C ATOM 804 CD PRO A 49 21.728 0.509 -16.945 1.00 0.00 C ATOM 0 HA PRO A 49 22.368 3.301 -18.283 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.784 1.110 -19.971 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.827 1.453 -18.605 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.557 -0.471 -18.817 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.113 -0.669 -18.035 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.915 -0.137 -16.612 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.471 0.523 -16.147 1.00 0.00 H new ATOM 812 N ASN A 50 19.680 1.969 -19.448 1.00 0.00 N ATOM 813 CA ASN A 50 18.596 2.177 -20.401 1.00 0.00 C ATOM 814 C ASN A 50 18.043 3.601 -20.284 1.00 0.00 C ATOM 815 O ASN A 50 17.692 4.218 -21.281 1.00 0.00 O ATOM 816 CB ASN A 50 17.479 1.135 -20.207 1.00 0.00 C ATOM 817 CG ASN A 50 16.309 1.320 -21.174 1.00 0.00 C ATOM 818 OD1 ASN A 50 15.376 2.084 -20.907 1.00 0.00 O ATOM 819 ND2 ASN A 50 16.341 0.601 -22.287 1.00 0.00 N ATOM 0 H ASN A 50 19.479 1.280 -18.724 1.00 0.00 H new ATOM 0 HA ASN A 50 18.999 2.048 -21.406 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.896 0.136 -20.338 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.109 1.195 -19.183 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.577 0.668 -22.959 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.130 -0.019 -22.471 1.00 0.00 H new ATOM 826 N GLU A 51 18.000 4.135 -19.057 1.00 0.00 N ATOM 827 CA GLU A 51 17.459 5.481 -18.838 1.00 0.00 C ATOM 828 C GLU A 51 18.555 6.550 -18.914 1.00 0.00 C ATOM 829 O GLU A 51 18.276 7.747 -18.806 1.00 0.00 O ATOM 830 CB GLU A 51 16.716 5.565 -17.504 1.00 0.00 C ATOM 831 CG GLU A 51 15.445 4.724 -17.455 1.00 0.00 C ATOM 832 CD GLU A 51 14.369 5.215 -18.414 1.00 0.00 C ATOM 833 OE1 GLU A 51 14.598 5.200 -19.640 1.00 0.00 O ATOM 834 OE2 GLU A 51 13.285 5.615 -17.941 1.00 0.00 O ATOM 0 H GLU A 51 18.328 3.664 -18.214 1.00 0.00 H new ATOM 0 HA GLU A 51 16.747 5.678 -19.640 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.384 5.244 -16.705 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.460 6.606 -17.306 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.691 3.689 -17.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.050 4.732 -16.439 1.00 0.00 H new ATOM 841 N GLY A 52 19.803 6.109 -19.130 1.00 0.00 N ATOM 842 CA GLY A 52 20.914 7.033 -19.238 1.00 0.00 C ATOM 843 C GLY A 52 20.777 7.944 -20.431 1.00 0.00 C ATOM 844 O GLY A 52 21.323 9.047 -20.444 1.00 0.00 O ATOM 0 H GLY A 52 20.055 5.126 -19.231 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.977 7.632 -18.330 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.846 6.472 -19.315 1.00 0.00 H new ATOM 848 N GLU A 53 20.038 7.482 -21.436 1.00 0.00 N ATOM 849 CA GLU A 53 19.786 8.268 -22.637 1.00 0.00 C ATOM 850 C GLU A 53 18.993 9.517 -22.278 1.00 0.00 C ATOM 851 O GLU A 53 19.260 10.606 -22.779 1.00 0.00 O ATOM 852 CB GLU A 53 19.041 7.424 -23.683 1.00 0.00 C ATOM 853 CG GLU A 53 19.893 6.313 -24.292 1.00 0.00 C ATOM 854 CD GLU A 53 19.104 5.388 -25.186 1.00 0.00 C ATOM 855 OE1 GLU A 53 18.982 5.674 -26.389 1.00 0.00 O ATOM 856 OE2 GLU A 53 18.618 4.353 -24.690 1.00 0.00 O ATOM 0 H GLU A 53 19.601 6.560 -21.440 1.00 0.00 H new ATOM 0 HA GLU A 53 20.738 8.575 -23.071 1.00 0.00 H new ATOM 0 HB2 GLU A 53 18.159 6.981 -23.219 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.688 8.078 -24.480 1.00 0.00 H new ATOM 0 HG2 GLU A 53 20.705 6.759 -24.866 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.350 5.732 -23.491 1.00 0.00 H new ATOM 863 N LYS A 54 18.027 9.340 -21.398 1.00 0.00 N ATOM 864 CA LYS A 54 17.232 10.426 -20.886 1.00 0.00 C ATOM 865 C LYS A 54 18.100 11.327 -19.999 1.00 0.00 C ATOM 866 O LYS A 54 17.999 12.567 -20.018 1.00 0.00 O ATOM 867 CB LYS A 54 16.051 9.888 -20.089 1.00 0.00 C ATOM 868 CG LYS A 54 14.998 9.143 -20.916 1.00 0.00 C ATOM 869 CD LYS A 54 13.806 8.827 -20.056 1.00 0.00 C ATOM 870 CE LYS A 54 12.720 8.083 -20.819 1.00 0.00 C ATOM 871 NZ LYS A 54 13.136 6.707 -21.185 1.00 0.00 N ATOM 0 H LYS A 54 17.774 8.428 -21.018 1.00 0.00 H new ATOM 0 HA LYS A 54 16.848 11.009 -21.723 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.428 9.216 -19.318 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.568 10.720 -19.578 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.693 9.752 -21.767 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.422 8.223 -21.318 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.125 8.226 -19.205 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.395 9.754 -19.655 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.817 8.038 -20.211 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.468 8.637 -21.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.325 6.063 -21.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.474 6.697 -22.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.901 6.396 -20.553 1.00 0.00 H new ATOM 885 N PHE A 55 18.972 10.680 -19.225 1.00 0.00 N ATOM 886 CA PHE A 55 19.848 11.364 -18.279 1.00 0.00 C ATOM 887 C PHE A 55 20.823 12.297 -18.993 1.00 0.00 C ATOM 888 O PHE A 55 21.363 13.231 -18.382 1.00 0.00 O ATOM 889 CB PHE A 55 20.612 10.342 -17.421 1.00 0.00 C ATOM 890 CG PHE A 55 21.099 10.891 -16.103 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.244 10.961 -15.016 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.406 11.332 -15.952 1.00 0.00 C ATOM 893 CE1 PHE A 55 20.680 11.461 -13.802 1.00 0.00 C ATOM 894 CE2 PHE A 55 22.848 11.832 -14.743 1.00 0.00 C ATOM 895 CZ PHE A 55 21.984 11.897 -13.666 1.00 0.00 C ATOM 0 H PHE A 55 19.089 9.667 -19.238 1.00 0.00 H new ATOM 0 HA PHE A 55 19.223 11.974 -17.627 1.00 0.00 H new ATOM 0 HB2 PHE A 55 19.964 9.487 -17.230 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.467 9.974 -17.988 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.224 10.621 -15.117 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.086 11.284 -16.790 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.003 11.510 -12.962 1.00 0.00 H new ATOM 0 HE2 PHE A 55 23.868 12.172 -14.639 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.328 12.288 -12.720 1.00 0.00 H new ATOM 905 N LYS A 56 21.051 12.048 -20.277 1.00 0.00 N ATOM 906 CA LYS A 56 21.921 12.905 -21.070 1.00 0.00 C ATOM 907 C LYS A 56 21.348 14.316 -21.082 1.00 0.00 C ATOM 908 O LYS A 56 22.074 15.292 -20.933 1.00 0.00 O ATOM 909 CB LYS A 56 22.041 12.369 -22.504 1.00 0.00 C ATOM 910 CG LYS A 56 22.698 11.004 -22.599 1.00 0.00 C ATOM 911 CD LYS A 56 22.746 10.510 -24.040 1.00 0.00 C ATOM 912 CE LYS A 56 23.379 9.137 -24.137 1.00 0.00 C ATOM 913 NZ LYS A 56 23.429 8.649 -25.535 1.00 0.00 N ATOM 0 H LYS A 56 20.647 11.263 -20.789 1.00 0.00 H new ATOM 0 HA LYS A 56 22.917 12.917 -20.628 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.046 12.313 -22.945 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.614 13.079 -23.100 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.710 11.057 -22.197 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.148 10.290 -21.986 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.736 10.475 -24.447 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.311 11.216 -24.649 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.389 9.173 -23.729 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.814 8.433 -23.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.869 7.707 -25.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.463 8.590 -25.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.990 9.307 -26.113 1.00 0.00 H new ATOM 927 N GLN A 57 20.027 14.403 -21.237 1.00 0.00 N ATOM 928 CA GLN A 57 19.318 15.651 -21.194 1.00 0.00 C ATOM 929 C GLN A 57 19.438 16.290 -19.836 1.00 0.00 C ATOM 930 O GLN A 57 19.682 17.496 -19.718 1.00 0.00 O ATOM 931 CB GLN A 57 17.863 15.392 -21.464 1.00 0.00 C ATOM 932 CG GLN A 57 17.570 14.973 -22.875 1.00 0.00 C ATOM 933 CD GLN A 57 16.097 14.745 -23.129 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.356 14.320 -22.245 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.665 15.027 -24.337 1.00 0.00 N ATOM 0 H GLN A 57 19.427 13.594 -21.397 1.00 0.00 H new ATOM 0 HA GLN A 57 19.745 16.318 -21.943 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.510 14.616 -20.785 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.296 16.295 -21.239 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.937 15.738 -23.559 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.118 14.057 -23.098 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.314 15.378 -25.042 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.681 14.895 -24.570 1.00 0.00 H new ATOM 944 N ILE A 58 19.286 15.474 -18.812 1.00 0.00 N ATOM 945 CA ILE A 58 19.334 15.958 -17.441 1.00 0.00 C ATOM 946 C ILE A 58 20.688 16.573 -17.145 1.00 0.00 C ATOM 947 O ILE A 58 20.767 17.657 -16.583 1.00 0.00 O ATOM 948 CB ILE A 58 19.069 14.811 -16.429 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.639 14.303 -16.555 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.325 15.279 -15.016 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.361 13.051 -15.755 1.00 0.00 C ATOM 0 H ILE A 58 19.128 14.470 -18.901 1.00 0.00 H new ATOM 0 HA ILE A 58 18.554 16.712 -17.333 1.00 0.00 H new ATOM 0 HB ILE A 58 19.753 13.994 -16.659 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.955 15.088 -16.232 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.425 14.106 -17.605 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.134 14.461 -14.321 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.362 15.600 -14.921 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.664 16.114 -14.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.322 12.752 -15.896 1.00 0.00 H new ATOM 0 HD12 ILE A 58 18.019 12.250 -16.093 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.541 13.247 -14.698 1.00 0.00 H new ATOM 963 N SER A 59 21.740 15.890 -17.561 1.00 0.00 N ATOM 964 CA SER A 59 23.096 16.352 -17.322 1.00 0.00 C ATOM 965 C SER A 59 23.353 17.724 -17.973 1.00 0.00 C ATOM 966 O SER A 59 23.926 18.611 -17.350 1.00 0.00 O ATOM 967 CB SER A 59 24.097 15.315 -17.841 1.00 0.00 C ATOM 968 OG SER A 59 23.855 14.036 -17.259 1.00 0.00 O ATOM 0 H SER A 59 21.680 15.008 -18.069 1.00 0.00 H new ATOM 0 HA SER A 59 23.228 16.473 -16.247 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.023 15.245 -18.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.112 15.637 -17.611 1.00 0.00 H new ATOM 0 HG SER A 59 23.021 13.666 -17.617 1.00 0.00 H new ATOM 974 N GLN A 60 22.905 17.889 -19.216 1.00 0.00 N ATOM 975 CA GLN A 60 23.107 19.117 -19.960 1.00 0.00 C ATOM 976 C GLN A 60 22.347 20.279 -19.353 1.00 0.00 C ATOM 977 O GLN A 60 22.923 21.344 -19.086 1.00 0.00 O ATOM 978 CB GLN A 60 22.666 18.903 -21.382 1.00 0.00 C ATOM 979 CG GLN A 60 23.473 17.863 -22.117 1.00 0.00 C ATOM 980 CD GLN A 60 22.974 17.626 -23.531 1.00 0.00 C ATOM 981 OE1 GLN A 60 22.473 18.540 -24.191 1.00 0.00 O ATOM 982 NE2 GLN A 60 23.113 16.408 -24.010 1.00 0.00 N ATOM 0 H GLN A 60 22.393 17.172 -19.730 1.00 0.00 H new ATOM 0 HA GLN A 60 24.167 19.369 -19.924 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.617 18.607 -21.387 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.733 19.849 -21.920 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.516 18.177 -22.152 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.440 16.925 -21.563 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.532 15.678 -23.434 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.802 16.194 -24.957 1.00 0.00 H new ATOM 991 N ALA A 61 21.062 20.086 -19.135 1.00 0.00 N ATOM 992 CA ALA A 61 20.239 21.138 -18.559 1.00 0.00 C ATOM 993 C ALA A 61 20.729 21.486 -17.166 1.00 0.00 C ATOM 994 O ALA A 61 20.794 22.649 -16.805 1.00 0.00 O ATOM 995 CB ALA A 61 18.772 20.746 -18.562 1.00 0.00 C ATOM 0 H ALA A 61 20.566 19.220 -19.345 1.00 0.00 H new ATOM 0 HA ALA A 61 20.331 22.031 -19.177 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.180 21.550 -18.126 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.445 20.569 -19.587 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.637 19.837 -17.976 1.00 0.00 H new ATOM 1001 N TYR A 62 21.103 20.465 -16.393 1.00 0.00 N ATOM 1002 CA TYR A 62 21.683 20.676 -15.079 1.00 0.00 C ATOM 1003 C TYR A 62 22.982 21.479 -15.184 1.00 0.00 C ATOM 1004 O TYR A 62 23.286 22.279 -14.319 1.00 0.00 O ATOM 1005 CB TYR A 62 21.950 19.341 -14.366 1.00 0.00 C ATOM 1006 CG TYR A 62 22.638 19.494 -13.025 1.00 0.00 C ATOM 1007 CD1 TYR A 62 21.968 20.025 -11.935 1.00 0.00 C ATOM 1008 CD2 TYR A 62 23.961 19.101 -12.855 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.594 20.158 -10.707 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.594 19.237 -11.631 1.00 0.00 C ATOM 1011 CZ TYR A 62 23.907 19.768 -10.564 1.00 0.00 C ATOM 1012 OH TYR A 62 24.529 19.902 -9.346 1.00 0.00 O ATOM 0 H TYR A 62 21.012 19.485 -16.661 1.00 0.00 H new ATOM 0 HA TYR A 62 20.962 21.242 -14.489 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.003 18.821 -14.221 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.564 18.712 -15.010 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.941 20.340 -12.045 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.503 18.683 -13.690 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.055 20.566 -9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.622 18.928 -11.515 1.00 0.00 H new ATOM 0 HH TYR A 62 25.452 19.580 -9.413 1.00 0.00 H new ATOM 1022 N GLU A 63 23.743 21.249 -16.248 1.00 0.00 N ATOM 1023 CA GLU A 63 25.014 21.928 -16.447 1.00 0.00 C ATOM 1024 C GLU A 63 24.831 23.445 -16.446 1.00 0.00 C ATOM 1025 O GLU A 63 25.612 24.173 -15.833 1.00 0.00 O ATOM 1026 CB GLU A 63 25.673 21.443 -17.733 1.00 0.00 C ATOM 1027 CG GLU A 63 27.069 21.979 -17.964 1.00 0.00 C ATOM 1028 CD GLU A 63 27.963 21.782 -16.773 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.330 20.631 -16.481 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.307 22.785 -16.120 1.00 0.00 O ATOM 0 H GLU A 63 23.498 20.593 -16.989 1.00 0.00 H new ATOM 0 HA GLU A 63 25.675 21.683 -15.615 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.714 20.354 -17.717 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.045 21.726 -18.577 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.507 21.482 -18.830 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.013 23.042 -18.201 1.00 0.00 H new ATOM 1037 N VAL A 64 23.828 23.908 -17.130 1.00 0.00 N ATOM 1038 CA VAL A 64 23.486 25.323 -17.124 1.00 0.00 C ATOM 1039 C VAL A 64 22.643 25.711 -15.874 1.00 0.00 C ATOM 1040 O VAL A 64 22.840 26.764 -15.302 1.00 0.00 O ATOM 1041 CB VAL A 64 22.786 25.718 -18.454 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.319 24.488 -19.198 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.634 26.650 -18.218 1.00 0.00 C ATOM 0 H VAL A 64 23.219 23.330 -17.709 1.00 0.00 H new ATOM 0 HA VAL A 64 24.411 25.896 -17.054 1.00 0.00 H new ATOM 0 HB VAL A 64 23.521 26.242 -19.065 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.832 24.787 -20.126 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.176 23.854 -19.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.612 23.935 -18.579 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.170 26.904 -19.171 1.00 0.00 H new ATOM 0 HG22 VAL A 64 20.900 26.165 -17.575 1.00 0.00 H new ATOM 0 HG23 VAL A 64 21.994 27.559 -17.737 1.00 0.00 H new ATOM 1053 N LEU A 65 21.730 24.837 -15.462 1.00 0.00 N ATOM 1054 CA LEU A 65 20.852 25.084 -14.288 1.00 0.00 C ATOM 1055 C LEU A 65 21.630 25.158 -12.972 1.00 0.00 C ATOM 1056 O LEU A 65 21.232 25.865 -12.056 1.00 0.00 O ATOM 1057 CB LEU A 65 19.699 24.058 -14.217 1.00 0.00 C ATOM 1058 CG LEU A 65 18.382 24.457 -14.962 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.637 24.894 -16.397 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.387 23.314 -14.946 1.00 0.00 C ATOM 0 H LEU A 65 21.566 23.939 -15.918 1.00 0.00 H new ATOM 0 HA LEU A 65 20.408 26.069 -14.434 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.054 23.113 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.461 23.880 -13.168 1.00 0.00 H new ATOM 0 HG LEU A 65 17.966 25.309 -14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.692 25.160 -16.870 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.301 25.758 -16.402 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.101 24.077 -16.949 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.479 23.614 -15.470 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.822 22.446 -15.442 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.143 23.058 -13.915 1.00 0.00 H new ATOM 1072 N SER A 66 22.742 24.439 -12.890 1.00 0.00 N ATOM 1073 CA SER A 66 23.577 24.434 -11.684 1.00 0.00 C ATOM 1074 C SER A 66 24.274 25.781 -11.491 1.00 0.00 C ATOM 1075 O SER A 66 24.813 26.073 -10.416 1.00 0.00 O ATOM 1076 CB SER A 66 24.617 23.311 -11.765 1.00 0.00 C ATOM 1077 OG SER A 66 25.394 23.416 -12.956 1.00 0.00 O ATOM 0 H SER A 66 23.092 23.848 -13.644 1.00 0.00 H new ATOM 0 HA SER A 66 22.929 24.260 -10.825 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.272 23.354 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.115 22.344 -11.739 1.00 0.00 H new ATOM 0 HG SER A 66 24.902 23.016 -13.704 1.00 0.00 H new ATOM 1083 N ASP A 67 24.263 26.591 -12.526 1.00 0.00 N ATOM 1084 CA ASP A 67 24.874 27.896 -12.474 1.00 0.00 C ATOM 1085 C ASP A 67 23.923 28.956 -12.988 1.00 0.00 C ATOM 1086 O ASP A 67 23.606 28.996 -14.169 1.00 0.00 O ATOM 1087 CB ASP A 67 26.174 27.910 -13.261 1.00 0.00 C ATOM 1088 CG ASP A 67 26.810 29.280 -13.282 1.00 0.00 C ATOM 1089 OD1 ASP A 67 27.282 29.737 -12.220 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.829 29.913 -14.347 1.00 0.00 O ATOM 0 H ASP A 67 23.832 26.363 -13.422 1.00 0.00 H new ATOM 0 HA ASP A 67 25.103 28.124 -11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.870 27.194 -12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.982 27.584 -14.283 1.00 0.00 H new ATOM 1095 N ALA A 68 23.484 29.825 -12.087 1.00 0.00 N ATOM 1096 CA ALA A 68 22.515 30.874 -12.417 1.00 0.00 C ATOM 1097 C ALA A 68 22.963 31.716 -13.602 1.00 0.00 C ATOM 1098 O ALA A 68 22.132 32.188 -14.382 1.00 0.00 O ATOM 1099 CB ALA A 68 22.264 31.762 -11.209 1.00 0.00 C ATOM 0 H ALA A 68 23.784 29.827 -11.112 1.00 0.00 H new ATOM 0 HA ALA A 68 21.586 30.378 -12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.542 32.536 -11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.870 31.160 -10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.199 32.228 -10.899 1.00 0.00 H new ATOM 1105 N LYS A 69 24.272 31.889 -13.752 1.00 0.00 N ATOM 1106 CA LYS A 69 24.804 32.697 -14.836 1.00 0.00 C ATOM 1107 C LYS A 69 24.496 32.064 -16.177 1.00 0.00 C ATOM 1108 O LYS A 69 23.927 32.708 -17.049 1.00 0.00 O ATOM 1109 CB LYS A 69 26.316 32.884 -14.689 1.00 0.00 C ATOM 1110 CG LYS A 69 26.921 33.743 -15.780 1.00 0.00 C ATOM 1111 CD LYS A 69 28.428 33.847 -15.648 1.00 0.00 C ATOM 1112 CE LYS A 69 29.017 34.700 -16.758 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.503 34.744 -16.697 1.00 0.00 N ATOM 0 H LYS A 69 24.978 31.482 -13.139 1.00 0.00 H new ATOM 0 HA LYS A 69 24.324 33.674 -14.786 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.527 33.337 -13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.799 31.907 -14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.670 33.323 -16.754 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.484 34.741 -15.741 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.682 34.278 -14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.868 32.850 -15.678 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.705 34.304 -17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.621 35.713 -16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.865 35.336 -17.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.801 35.146 -15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 30.883 33.781 -16.791 1.00 0.00 H new ATOM 1127 N LYS A 70 24.823 30.780 -16.321 1.00 0.00 N ATOM 1128 CA LYS A 70 24.600 30.080 -17.566 1.00 0.00 C ATOM 1129 C LYS A 70 23.121 30.008 -17.862 1.00 0.00 C ATOM 1130 O LYS A 70 22.691 30.171 -18.998 1.00 0.00 O ATOM 1131 CB LYS A 70 25.186 28.677 -17.501 1.00 0.00 C ATOM 1132 CG LYS A 70 26.699 28.658 -17.346 1.00 0.00 C ATOM 1133 CD LYS A 70 27.223 27.245 -17.182 1.00 0.00 C ATOM 1134 CE LYS A 70 26.983 26.426 -18.427 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.531 25.060 -18.301 1.00 0.00 N ATOM 0 H LYS A 70 25.243 30.212 -15.585 1.00 0.00 H new ATOM 0 HA LYS A 70 25.097 30.628 -18.366 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.736 28.142 -16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.915 28.136 -18.408 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.161 29.119 -18.219 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.985 29.256 -16.481 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.290 27.273 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.735 26.770 -16.331 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.913 26.371 -18.625 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.440 26.923 -19.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.273 24.503 -19.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.567 25.107 -18.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.140 24.606 -17.451 1.00 0.00 H new ATOM 1149 N ARG A 71 22.347 29.766 -16.822 1.00 0.00 N ATOM 1150 CA ARG A 71 20.899 29.678 -16.930 1.00 0.00 C ATOM 1151 C ARG A 71 20.323 30.973 -17.490 1.00 0.00 C ATOM 1152 O ARG A 71 19.459 30.950 -18.370 1.00 0.00 O ATOM 1153 CB ARG A 71 20.289 29.366 -15.553 1.00 0.00 C ATOM 1154 CG ARG A 71 18.784 29.145 -15.563 1.00 0.00 C ATOM 1155 CD ARG A 71 18.261 28.854 -14.158 1.00 0.00 C ATOM 1156 NE ARG A 71 16.832 28.494 -14.152 1.00 0.00 N ATOM 1157 CZ ARG A 71 15.853 29.270 -13.644 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.139 30.468 -13.144 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.594 28.841 -13.648 1.00 0.00 N ATOM 0 H ARG A 71 22.702 29.624 -15.876 1.00 0.00 H new ATOM 0 HA ARG A 71 20.647 28.870 -17.617 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.771 28.475 -15.150 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.518 30.187 -14.874 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.286 30.028 -15.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.540 28.314 -16.225 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.839 28.041 -13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.415 29.730 -13.528 1.00 0.00 H new ATOM 0 HE ARG A 71 16.565 27.598 -14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.102 30.804 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.395 31.052 -12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.369 27.925 -14.035 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.854 29.428 -13.264 1.00 0.00 H new ATOM 1173 N GLU A 72 20.834 32.088 -17.006 1.00 0.00 N ATOM 1174 CA GLU A 72 20.361 33.383 -17.397 1.00 0.00 C ATOM 1175 C GLU A 72 20.794 33.702 -18.815 1.00 0.00 C ATOM 1176 O GLU A 72 19.989 34.148 -19.636 1.00 0.00 O ATOM 1177 CB GLU A 72 20.907 34.418 -16.415 1.00 0.00 C ATOM 1178 CG GLU A 72 20.157 35.734 -16.399 1.00 0.00 C ATOM 1179 CD GLU A 72 20.574 36.688 -17.509 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.755 37.109 -17.521 1.00 0.00 O ATOM 1181 OE2 GLU A 72 19.723 37.048 -18.354 1.00 0.00 O ATOM 0 H GLU A 72 21.594 32.111 -16.326 1.00 0.00 H new ATOM 0 HA GLU A 72 19.271 33.401 -17.375 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.888 33.992 -15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.951 34.614 -16.658 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.089 35.535 -16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.314 36.220 -15.436 1.00 0.00 H new ATOM 1188 N LEU A 73 22.058 33.444 -19.111 1.00 0.00 N ATOM 1189 CA LEU A 73 22.604 33.743 -20.407 1.00 0.00 C ATOM 1190 C LEU A 73 21.952 32.886 -21.476 1.00 0.00 C ATOM 1191 O LEU A 73 21.655 33.362 -22.580 1.00 0.00 O ATOM 1192 CB LEU A 73 24.107 33.504 -20.414 1.00 0.00 C ATOM 1193 CG LEU A 73 24.893 34.159 -19.285 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.375 34.019 -19.516 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.490 35.609 -19.101 1.00 0.00 C ATOM 0 H LEU A 73 22.722 33.025 -18.460 1.00 0.00 H new ATOM 0 HA LEU A 73 22.403 34.792 -20.624 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.284 32.429 -20.377 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.507 33.861 -21.363 1.00 0.00 H new ATOM 0 HG LEU A 73 24.651 33.639 -18.358 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.917 34.494 -18.698 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.638 32.962 -19.561 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.644 34.500 -20.457 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.069 36.047 -18.288 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.683 36.160 -20.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.428 35.664 -18.861 1.00 0.00 H new ATOM 1207 N TYR A 74 21.737 31.627 -21.148 1.00 0.00 N ATOM 1208 CA TYR A 74 21.145 30.692 -22.069 1.00 0.00 C ATOM 1209 C TYR A 74 19.737 31.142 -22.443 1.00 0.00 C ATOM 1210 O TYR A 74 19.371 31.161 -23.622 1.00 0.00 O ATOM 1211 CB TYR A 74 21.113 29.301 -21.461 1.00 0.00 C ATOM 1212 CG TYR A 74 20.872 28.210 -22.469 1.00 0.00 C ATOM 1213 CD1 TYR A 74 21.695 28.081 -23.585 1.00 0.00 C ATOM 1214 CD2 TYR A 74 19.837 27.303 -22.307 1.00 0.00 C ATOM 1215 CE1 TYR A 74 21.495 27.082 -24.501 1.00 0.00 C ATOM 1216 CE2 TYR A 74 19.630 26.300 -23.224 1.00 0.00 C ATOM 1217 CZ TYR A 74 20.462 26.195 -24.323 1.00 0.00 C ATOM 1218 OH TYR A 74 20.269 25.189 -25.232 1.00 0.00 O ATOM 0 H TYR A 74 21.969 31.230 -20.238 1.00 0.00 H new ATOM 0 HA TYR A 74 21.752 30.660 -22.974 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.059 29.113 -20.954 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.331 29.263 -20.702 1.00 0.00 H new ATOM 0 HD1 TYR A 74 22.505 28.780 -23.731 1.00 0.00 H new ATOM 0 HD2 TYR A 74 19.185 27.385 -21.450 1.00 0.00 H new ATOM 0 HE1 TYR A 74 22.146 26.993 -25.358 1.00 0.00 H new ATOM 0 HE2 TYR A 74 18.821 25.597 -23.087 1.00 0.00 H new ATOM 0 HH TYR A 74 19.425 24.731 -25.039 1.00 0.00 H new ATOM 1228 N ASP A 75 18.957 31.502 -21.427 1.00 0.00 N ATOM 1229 CA ASP A 75 17.603 32.003 -21.635 1.00 0.00 C ATOM 1230 C ASP A 75 17.611 33.348 -22.357 1.00 0.00 C ATOM 1231 O ASP A 75 16.651 33.699 -23.039 1.00 0.00 O ATOM 1232 CB ASP A 75 16.831 32.094 -20.316 1.00 0.00 C ATOM 1233 CG ASP A 75 15.752 31.021 -20.208 1.00 0.00 C ATOM 1234 OD1 ASP A 75 14.618 31.264 -20.686 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.027 29.933 -19.650 1.00 0.00 O ATOM 0 H ASP A 75 19.242 31.455 -20.449 1.00 0.00 H new ATOM 0 HA ASP A 75 17.087 31.286 -22.273 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.526 31.994 -19.482 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.372 33.079 -20.232 1.00 0.00 H new ATOM 1240 N LYS A 76 18.685 34.119 -22.169 1.00 0.00 N ATOM 1241 CA LYS A 76 18.836 35.409 -22.846 1.00 0.00 C ATOM 1242 C LYS A 76 19.002 35.209 -24.349 1.00 0.00 C ATOM 1243 O LYS A 76 18.406 35.927 -25.164 1.00 0.00 O ATOM 1244 CB LYS A 76 20.034 36.194 -22.284 1.00 0.00 C ATOM 1245 CG LYS A 76 20.208 37.578 -22.903 1.00 0.00 C ATOM 1246 CD LYS A 76 21.398 38.309 -22.301 1.00 0.00 C ATOM 1247 CE LYS A 76 21.562 39.691 -22.904 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.726 40.419 -22.319 1.00 0.00 N ATOM 0 H LYS A 76 19.461 33.873 -21.555 1.00 0.00 H new ATOM 0 HA LYS A 76 17.931 35.988 -22.664 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.913 36.301 -21.206 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.944 35.616 -22.447 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.345 37.482 -23.980 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.302 38.164 -22.748 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.267 38.394 -21.222 1.00 0.00 H new ATOM 0 HD3 LYS A 76 22.305 37.728 -22.467 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.694 39.603 -23.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.653 40.269 -22.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.804 41.359 -22.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.589 40.526 -21.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.598 39.881 -22.498 1.00 0.00 H new ATOM 1262 N GLY A 77 19.823 34.242 -24.706 1.00 0.00 N ATOM 1263 CA GLY A 77 20.074 33.949 -26.096 1.00 0.00 C ATOM 1264 C GLY A 77 21.550 33.957 -26.414 1.00 0.00 C ATOM 1265 O GLY A 77 22.067 35.017 -26.814 1.00 0.00 O ATOM 1266 OXT GLY A 77 22.209 32.913 -26.229 1.00 0.00 O ATOM 0 H GLY A 77 20.327 33.647 -24.049 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.654 32.974 -26.343 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.564 34.683 -26.720 1.00 0.00 H new TER 1270 GLY A 77