USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 719 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.00974 K(o=0.0097,f=-1.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0942) USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= -1.2! (180deg=-2.59!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -36:sc= -0.982 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.124 (180deg=-0.583) USER MOD Single : A 54 MET CE :methyl -179:sc= -0.185 (180deg=-0.195) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= -0.244 (180deg=-0.834) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot -63:sc= 0.717 USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -0.394 (180deg=-1.73!) USER MOD Single : A 75 THR OG1 : rot -26:sc= 0.00943 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -1.01 (180deg=-3.18!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.784 19.264 1.754 1.00 0.00 N ATOM 2 CA GLY A 1 -28.911 18.115 1.904 1.00 0.00 C ATOM 3 C GLY A 1 -28.105 17.831 0.653 1.00 0.00 C ATOM 4 O GLY A 1 -28.612 17.240 -0.300 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.313 19.416 2.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.214 20.108 1.542 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.452 19.093 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.232 18.286 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.509 17.239 2.154 1.00 0.00 H new ATOM 8 N SER A 2 -26.845 18.256 0.653 1.00 0.00 N ATOM 9 CA SER A 2 -25.968 18.049 -0.493 1.00 0.00 C ATOM 10 C SER A 2 -24.927 16.974 -0.194 1.00 0.00 C ATOM 11 O SER A 2 -23.751 17.126 -0.522 1.00 0.00 O ATOM 12 CB SER A 2 -25.272 19.358 -0.872 1.00 0.00 C ATOM 13 OG SER A 2 -24.437 19.814 0.179 1.00 0.00 O ATOM 0 H SER A 2 -26.409 18.746 1.434 1.00 0.00 H new ATOM 0 HA SER A 2 -26.579 17.715 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.679 19.210 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.019 20.117 -1.103 1.00 0.00 H new ATOM 0 HG SER A 2 -24.002 20.651 -0.088 1.00 0.00 H new ATOM 19 N SER A 3 -25.371 15.888 0.430 1.00 0.00 N ATOM 20 CA SER A 3 -24.479 14.788 0.777 1.00 0.00 C ATOM 21 C SER A 3 -25.051 13.454 0.305 1.00 0.00 C ATOM 22 O SER A 3 -26.211 13.371 -0.095 1.00 0.00 O ATOM 23 CB SER A 3 -24.246 14.750 2.288 1.00 0.00 C ATOM 24 OG SER A 3 -25.474 14.702 2.993 1.00 0.00 O ATOM 0 H SER A 3 -26.343 15.746 0.706 1.00 0.00 H new ATOM 0 HA SER A 3 -23.526 14.953 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.642 13.880 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.682 15.631 2.594 1.00 0.00 H new ATOM 0 HG SER A 3 -25.297 14.677 3.957 1.00 0.00 H new ATOM 30 N GLY A 4 -24.227 12.412 0.356 1.00 0.00 N ATOM 31 CA GLY A 4 -24.668 11.096 -0.068 1.00 0.00 C ATOM 32 C GLY A 4 -24.316 10.805 -1.513 1.00 0.00 C ATOM 33 O GLY A 4 -25.194 10.521 -2.328 1.00 0.00 O ATOM 0 H GLY A 4 -23.262 12.456 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.214 10.340 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.747 11.018 0.063 1.00 0.00 H new ATOM 37 N SER A 5 -23.028 10.877 -1.834 1.00 0.00 N ATOM 38 CA SER A 5 -22.563 10.625 -3.192 1.00 0.00 C ATOM 39 C SER A 5 -22.342 9.133 -3.422 1.00 0.00 C ATOM 40 O SER A 5 -22.157 8.368 -2.476 1.00 0.00 O ATOM 41 CB SER A 5 -21.266 11.391 -3.461 1.00 0.00 C ATOM 42 OG SER A 5 -21.529 12.753 -3.750 1.00 0.00 O ATOM 0 H SER A 5 -22.288 11.108 -1.171 1.00 0.00 H new ATOM 0 HA SER A 5 -23.331 10.972 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.611 11.320 -2.592 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.737 10.934 -4.297 1.00 0.00 H new ATOM 0 HG SER A 5 -20.684 13.221 -3.916 1.00 0.00 H new ATOM 48 N SER A 6 -22.363 8.726 -4.688 1.00 0.00 N ATOM 49 CA SER A 6 -22.169 7.325 -5.044 1.00 0.00 C ATOM 50 C SER A 6 -20.929 7.153 -5.916 1.00 0.00 C ATOM 51 O SER A 6 -20.650 7.976 -6.787 1.00 0.00 O ATOM 52 CB SER A 6 -23.400 6.788 -5.776 1.00 0.00 C ATOM 53 OG SER A 6 -23.549 5.394 -5.568 1.00 0.00 O ATOM 0 H SER A 6 -22.512 9.347 -5.484 1.00 0.00 H new ATOM 0 HA SER A 6 -22.026 6.758 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.291 7.309 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.310 6.992 -6.843 1.00 0.00 H new ATOM 0 HG SER A 6 -24.344 5.075 -6.045 1.00 0.00 H new ATOM 59 N GLY A 7 -20.187 6.077 -5.673 1.00 0.00 N ATOM 60 CA GLY A 7 -18.985 5.815 -6.444 1.00 0.00 C ATOM 61 C GLY A 7 -17.751 6.438 -5.822 1.00 0.00 C ATOM 62 O GLY A 7 -16.915 7.010 -6.523 1.00 0.00 O ATOM 0 H GLY A 7 -20.396 5.382 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.840 4.738 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.114 6.202 -7.455 1.00 0.00 H new ATOM 66 N LYS A 8 -17.636 6.329 -4.503 1.00 0.00 N ATOM 67 CA LYS A 8 -16.495 6.886 -3.786 1.00 0.00 C ATOM 68 C LYS A 8 -15.184 6.493 -4.459 1.00 0.00 C ATOM 69 O LYS A 8 -14.278 7.313 -4.600 1.00 0.00 O ATOM 70 CB LYS A 8 -16.498 6.409 -2.332 1.00 0.00 C ATOM 71 CG LYS A 8 -15.703 7.303 -1.396 1.00 0.00 C ATOM 72 CD LYS A 8 -14.239 6.900 -1.349 1.00 0.00 C ATOM 73 CE LYS A 8 -13.384 7.978 -0.700 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.952 7.859 -1.090 1.00 0.00 N ATOM 0 H LYS A 8 -18.319 5.860 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.581 7.972 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.528 6.353 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.091 5.399 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.786 8.339 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.128 7.251 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.135 5.968 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.880 6.710 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.758 8.961 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.472 7.908 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.403 8.611 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.587 6.931 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.864 7.951 -2.122 1.00 0.00 H new ATOM 88 N GLU A 9 -15.092 5.233 -4.874 1.00 0.00 N ATOM 89 CA GLU A 9 -13.891 4.732 -5.532 1.00 0.00 C ATOM 90 C GLU A 9 -13.489 5.639 -6.692 1.00 0.00 C ATOM 91 O GLU A 9 -14.334 6.288 -7.308 1.00 0.00 O ATOM 92 CB GLU A 9 -14.117 3.307 -6.039 1.00 0.00 C ATOM 93 CG GLU A 9 -14.107 2.260 -4.938 1.00 0.00 C ATOM 94 CD GLU A 9 -12.712 1.973 -4.419 1.00 0.00 C ATOM 95 OE1 GLU A 9 -11.800 1.770 -5.248 1.00 0.00 O ATOM 96 OE2 GLU A 9 -12.532 1.950 -3.183 1.00 0.00 O ATOM 0 H GLU A 9 -15.834 4.541 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.083 4.725 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.073 3.264 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.344 3.063 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.735 2.599 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.547 1.337 -5.315 1.00 0.00 H new ATOM 103 N GLU A 10 -12.192 5.677 -6.984 1.00 0.00 N ATOM 104 CA GLU A 10 -11.678 6.504 -8.069 1.00 0.00 C ATOM 105 C GLU A 10 -10.341 5.970 -8.574 1.00 0.00 C ATOM 106 O GLU A 10 -9.836 4.961 -8.081 1.00 0.00 O ATOM 107 CB GLU A 10 -11.518 7.953 -7.603 1.00 0.00 C ATOM 108 CG GLU A 10 -10.394 8.149 -6.599 1.00 0.00 C ATOM 109 CD GLU A 10 -9.960 9.597 -6.484 1.00 0.00 C ATOM 110 OE1 GLU A 10 -9.889 10.280 -7.527 1.00 0.00 O ATOM 111 OE2 GLU A 10 -9.691 10.046 -5.350 1.00 0.00 O ATOM 0 H GLU A 10 -11.479 5.145 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.396 6.470 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.333 8.587 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.455 8.288 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.719 7.792 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.539 7.540 -6.893 1.00 0.00 H new ATOM 118 N THR A 11 -9.772 6.654 -9.562 1.00 0.00 N ATOM 119 CA THR A 11 -8.496 6.248 -10.137 1.00 0.00 C ATOM 120 C THR A 11 -7.329 6.792 -9.321 1.00 0.00 C ATOM 121 O THR A 11 -7.527 7.478 -8.318 1.00 0.00 O ATOM 122 CB THR A 11 -8.357 6.730 -11.593 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.490 8.154 -11.654 1.00 0.00 O ATOM 124 CG2 THR A 11 -9.407 6.079 -12.481 1.00 0.00 C ATOM 0 H THR A 11 -10.175 7.492 -9.981 1.00 0.00 H new ATOM 0 HA THR A 11 -8.473 5.158 -10.119 1.00 0.00 H new ATOM 0 HB THR A 11 -7.369 6.443 -11.954 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.399 8.452 -12.583 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.289 6.435 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.284 4.996 -12.457 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.402 6.339 -12.119 1.00 0.00 H new ATOM 132 N GLU A 12 -6.112 6.480 -9.757 1.00 0.00 N ATOM 133 CA GLU A 12 -4.913 6.938 -9.065 1.00 0.00 C ATOM 134 C GLU A 12 -4.862 6.389 -7.642 1.00 0.00 C ATOM 135 O GLU A 12 -4.358 7.045 -6.730 1.00 0.00 O ATOM 136 CB GLU A 12 -4.867 8.467 -9.035 1.00 0.00 C ATOM 137 CG GLU A 12 -4.831 9.102 -10.414 1.00 0.00 C ATOM 138 CD GLU A 12 -3.447 9.078 -11.032 1.00 0.00 C ATOM 139 OE1 GLU A 12 -2.919 7.970 -11.263 1.00 0.00 O ATOM 140 OE2 GLU A 12 -2.892 10.168 -11.285 1.00 0.00 O ATOM 0 H GLU A 12 -5.931 5.913 -10.585 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.046 6.566 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.739 8.838 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.987 8.785 -8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.526 8.578 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.175 10.134 -10.344 1.00 0.00 H new ATOM 147 N ILE A 13 -5.389 5.183 -7.461 1.00 0.00 N ATOM 148 CA ILE A 13 -5.404 4.545 -6.150 1.00 0.00 C ATOM 149 C ILE A 13 -5.205 3.038 -6.270 1.00 0.00 C ATOM 150 O ILE A 13 -5.739 2.401 -7.178 1.00 0.00 O ATOM 151 CB ILE A 13 -6.724 4.820 -5.405 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.964 6.326 -5.288 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.699 4.173 -4.028 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.216 6.680 -4.516 1.00 0.00 C ATOM 0 H ILE A 13 -5.811 4.628 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.579 4.974 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.544 4.384 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.104 6.786 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.030 6.754 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.638 4.376 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.569 3.096 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.872 4.583 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.323 7.764 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.085 6.249 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.144 6.282 -3.504 1.00 0.00 H new ATOM 166 N ILE A 14 -4.435 2.473 -5.346 1.00 0.00 N ATOM 167 CA ILE A 14 -4.168 1.040 -5.346 1.00 0.00 C ATOM 168 C ILE A 14 -4.240 0.467 -3.935 1.00 0.00 C ATOM 169 O ILE A 14 -3.684 1.034 -2.996 1.00 0.00 O ATOM 170 CB ILE A 14 -2.785 0.725 -5.946 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.437 1.736 -7.040 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.758 -0.692 -6.499 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.983 1.701 -7.456 1.00 0.00 C ATOM 0 H ILE A 14 -3.985 2.986 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.937 0.576 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.037 0.801 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.061 1.543 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.682 2.738 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.774 -0.900 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.966 -1.400 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.514 -0.793 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.809 2.444 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.353 1.924 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.738 0.710 -7.839 1.00 0.00 H new ATOM 185 N GLU A 15 -4.929 -0.662 -3.795 1.00 0.00 N ATOM 186 CA GLU A 15 -5.072 -1.312 -2.498 1.00 0.00 C ATOM 187 C GLU A 15 -4.368 -2.665 -2.487 1.00 0.00 C ATOM 188 O GLU A 15 -4.322 -3.362 -3.500 1.00 0.00 O ATOM 189 CB GLU A 15 -6.552 -1.492 -2.154 1.00 0.00 C ATOM 190 CG GLU A 15 -6.790 -2.321 -0.903 1.00 0.00 C ATOM 191 CD GLU A 15 -8.263 -2.494 -0.589 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.093 -1.833 -1.248 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.587 -3.291 0.317 1.00 0.00 O ATOM 0 H GLU A 15 -5.396 -1.144 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.606 -0.674 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.007 -0.511 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.057 -1.966 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.332 -3.302 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.295 -1.845 -0.057 1.00 0.00 H new ATOM 200 N GLY A 16 -3.819 -3.031 -1.332 1.00 0.00 N ATOM 201 CA GLY A 16 -3.123 -4.299 -1.210 1.00 0.00 C ATOM 202 C GLY A 16 -2.817 -4.655 0.231 1.00 0.00 C ATOM 203 O GLY A 16 -2.804 -3.786 1.103 1.00 0.00 O ATOM 0 H GLY A 16 -3.844 -2.472 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.730 -5.088 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.192 -4.255 -1.776 1.00 0.00 H new ATOM 207 N GLU A 17 -2.571 -5.937 0.483 1.00 0.00 N ATOM 208 CA GLU A 17 -2.266 -6.406 1.830 1.00 0.00 C ATOM 209 C GLU A 17 -0.802 -6.150 2.176 1.00 0.00 C ATOM 210 O GLU A 17 0.097 -6.791 1.633 1.00 0.00 O ATOM 211 CB GLU A 17 -2.578 -7.899 1.957 1.00 0.00 C ATOM 212 CG GLU A 17 -2.179 -8.492 3.298 1.00 0.00 C ATOM 213 CD GLU A 17 -2.357 -9.997 3.346 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.104 -10.657 2.317 1.00 0.00 O ATOM 215 OE2 GLU A 17 -2.750 -10.514 4.413 1.00 0.00 O ATOM 0 H GLU A 17 -2.577 -6.669 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.890 -5.851 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.646 -8.053 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.062 -8.438 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.137 -8.246 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.777 -8.034 4.086 1.00 0.00 H new ATOM 222 N VAL A 18 -0.572 -5.207 3.085 1.00 0.00 N ATOM 223 CA VAL A 18 0.782 -4.865 3.505 1.00 0.00 C ATOM 224 C VAL A 18 1.557 -6.109 3.925 1.00 0.00 C ATOM 225 O VAL A 18 1.120 -6.862 4.795 1.00 0.00 O ATOM 226 CB VAL A 18 0.770 -3.862 4.674 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.189 -3.472 5.058 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.050 -2.633 4.312 1.00 0.00 C ATOM 0 H VAL A 18 -1.305 -4.667 3.544 1.00 0.00 H new ATOM 0 HA VAL A 18 1.274 -4.406 2.647 1.00 0.00 H new ATOM 0 HB VAL A 18 0.305 -4.340 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.160 -2.763 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.741 -4.361 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.684 -3.012 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.048 -1.935 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.384 -2.151 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.075 -2.931 4.091 1.00 0.00 H new ATOM 238 N VAL A 19 2.712 -6.318 3.301 1.00 0.00 N ATOM 239 CA VAL A 19 3.551 -7.470 3.611 1.00 0.00 C ATOM 240 C VAL A 19 4.812 -7.047 4.357 1.00 0.00 C ATOM 241 O VAL A 19 5.172 -7.641 5.372 1.00 0.00 O ATOM 242 CB VAL A 19 3.954 -8.230 2.334 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.916 -9.360 2.666 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.721 -8.761 1.619 1.00 0.00 C ATOM 0 H VAL A 19 3.088 -5.705 2.578 1.00 0.00 H new ATOM 0 HA VAL A 19 2.961 -8.130 4.247 1.00 0.00 H new ATOM 0 HB VAL A 19 4.463 -7.537 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.190 -9.886 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.813 -8.950 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.436 -10.056 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.024 -9.295 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.182 -9.440 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.072 -7.929 1.346 1.00 0.00 H new ATOM 254 N GLU A 20 5.478 -6.016 3.846 1.00 0.00 N ATOM 255 CA GLU A 20 6.699 -5.514 4.464 1.00 0.00 C ATOM 256 C GLU A 20 6.787 -3.996 4.341 1.00 0.00 C ATOM 257 O GLU A 20 6.483 -3.429 3.291 1.00 0.00 O ATOM 258 CB GLU A 20 7.927 -6.161 3.819 1.00 0.00 C ATOM 259 CG GLU A 20 9.244 -5.564 4.285 1.00 0.00 C ATOM 260 CD GLU A 20 10.446 -6.334 3.774 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.583 -7.524 4.130 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.251 -5.748 3.020 1.00 0.00 O ATOM 0 H GLU A 20 5.192 -5.513 3.006 1.00 0.00 H new ATOM 0 HA GLU A 20 6.673 -5.774 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.923 -7.228 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.854 -6.059 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.309 -4.530 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.265 -5.546 5.375 1.00 0.00 H new ATOM 269 N ILE A 21 7.203 -3.344 5.421 1.00 0.00 N ATOM 270 CA ILE A 21 7.331 -1.892 5.435 1.00 0.00 C ATOM 271 C ILE A 21 8.707 -1.466 5.937 1.00 0.00 C ATOM 272 O ILE A 21 8.937 -1.376 7.142 1.00 0.00 O ATOM 273 CB ILE A 21 6.251 -1.239 6.317 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.857 -1.672 5.858 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.380 0.276 6.279 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.753 -1.259 6.806 1.00 0.00 C ATOM 0 H ILE A 21 7.457 -3.798 6.298 1.00 0.00 H new ATOM 0 HA ILE A 21 7.201 -1.555 4.407 1.00 0.00 H new ATOM 0 HB ILE A 21 6.394 -1.570 7.346 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.659 -1.246 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.841 -2.756 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.609 0.723 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.363 0.567 6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.260 0.626 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.793 -1.599 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.927 -1.707 7.784 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.742 -0.173 6.901 1.00 0.00 H new ATOM 288 N GLN A 22 9.616 -1.204 5.003 1.00 0.00 N ATOM 289 CA GLN A 22 10.969 -0.786 5.352 1.00 0.00 C ATOM 290 C GLN A 22 11.058 0.733 5.462 1.00 0.00 C ATOM 291 O GLN A 22 10.467 1.458 4.662 1.00 0.00 O ATOM 292 CB GLN A 22 11.967 -1.293 4.309 1.00 0.00 C ATOM 293 CG GLN A 22 13.398 -0.851 4.571 1.00 0.00 C ATOM 294 CD GLN A 22 13.988 -1.491 5.812 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.082 -0.859 6.865 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.389 -2.751 5.695 1.00 0.00 N ATOM 0 H GLN A 22 9.441 -1.274 4.001 1.00 0.00 H new ATOM 0 HA GLN A 22 11.217 -1.217 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.931 -2.382 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.661 -0.940 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.016 -1.102 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.426 0.233 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.292 -3.236 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.794 -3.234 6.497 1.00 0.00 H new ATOM 305 N ILE A 23 11.800 1.206 6.457 1.00 0.00 N ATOM 306 CA ILE A 23 11.967 2.638 6.671 1.00 0.00 C ATOM 307 C ILE A 23 13.432 2.992 6.906 1.00 0.00 C ATOM 308 O ILE A 23 13.939 2.871 8.022 1.00 0.00 O ATOM 309 CB ILE A 23 11.133 3.130 7.868 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.640 2.954 7.584 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.451 4.586 8.174 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.129 3.834 6.465 1.00 0.00 C ATOM 0 H ILE A 23 12.295 0.619 7.128 1.00 0.00 H new ATOM 0 HA ILE A 23 11.616 3.135 5.766 1.00 0.00 H new ATOM 0 HB ILE A 23 11.391 2.531 8.741 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.447 1.911 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.078 3.172 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.853 4.918 9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.509 4.684 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.219 5.200 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.064 3.656 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.290 4.881 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.665 3.601 5.545 1.00 0.00 H new ATOM 324 N ASP A 24 14.106 3.432 5.850 1.00 0.00 N ATOM 325 CA ASP A 24 15.512 3.807 5.941 1.00 0.00 C ATOM 326 C ASP A 24 15.668 5.171 6.607 1.00 0.00 C ATOM 327 O ASP A 24 15.220 6.187 6.076 1.00 0.00 O ATOM 328 CB ASP A 24 16.148 3.829 4.550 1.00 0.00 C ATOM 329 CG ASP A 24 16.676 2.470 4.134 1.00 0.00 C ATOM 330 OD1 ASP A 24 17.106 1.704 5.021 1.00 0.00 O ATOM 331 OD2 ASP A 24 16.660 2.173 2.921 1.00 0.00 O ATOM 0 H ASP A 24 13.701 3.538 4.920 1.00 0.00 H new ATOM 0 HA ASP A 24 16.022 3.063 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.411 4.168 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.964 4.552 4.538 1.00 0.00 H new ATOM 336 N ARG A 25 16.306 5.184 7.773 1.00 0.00 N ATOM 337 CA ARG A 25 16.520 6.423 8.512 1.00 0.00 C ATOM 338 C ARG A 25 17.558 7.299 7.817 1.00 0.00 C ATOM 339 O ARG A 25 18.531 6.812 7.242 1.00 0.00 O ATOM 340 CB ARG A 25 16.970 6.117 9.942 1.00 0.00 C ATOM 341 CG ARG A 25 15.887 5.480 10.798 1.00 0.00 C ATOM 342 CD ARG A 25 16.416 5.096 12.171 1.00 0.00 C ATOM 343 NE ARG A 25 17.344 3.971 12.105 1.00 0.00 N ATOM 344 CZ ARG A 25 16.958 2.705 11.992 1.00 0.00 C ATOM 345 NH1 ARG A 25 15.667 2.405 11.932 1.00 0.00 N ATOM 346 NH2 ARG A 25 17.862 1.736 11.938 1.00 0.00 N ATOM 0 H ARG A 25 16.683 4.352 8.226 1.00 0.00 H new ATOM 0 HA ARG A 25 15.575 6.966 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 25 17.833 5.452 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.299 7.042 10.416 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.054 6.174 10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.499 4.594 10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.918 5.954 12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.581 4.839 12.822 1.00 0.00 H new ATOM 0 HE ARG A 25 18.344 4.168 12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.969 3.147 11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.373 1.432 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 25 18.856 1.962 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.564 0.764 11.851 1.00 0.00 H new ATOM 360 N PRO A 26 17.346 8.622 7.870 1.00 0.00 N ATOM 361 CA PRO A 26 18.253 9.594 7.252 1.00 0.00 C ATOM 362 C PRO A 26 19.592 9.680 7.975 1.00 0.00 C ATOM 363 O PRO A 26 19.693 9.348 9.156 1.00 0.00 O ATOM 364 CB PRO A 26 17.492 10.917 7.375 1.00 0.00 C ATOM 365 CG PRO A 26 16.588 10.726 8.544 1.00 0.00 C ATOM 366 CD PRO A 26 16.206 9.272 8.539 1.00 0.00 C ATOM 0 HA PRO A 26 18.502 9.323 6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.174 11.753 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 26 16.927 11.135 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.090 10.994 9.473 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.706 11.361 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.063 8.891 9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.274 9.103 8.000 1.00 0.00 H new ATOM 374 N ALA A 27 20.618 10.128 7.259 1.00 0.00 N ATOM 375 CA ALA A 27 21.951 10.260 7.835 1.00 0.00 C ATOM 376 C ALA A 27 22.541 11.635 7.543 1.00 0.00 C ATOM 377 O ALA A 27 23.759 11.794 7.450 1.00 0.00 O ATOM 378 CB ALA A 27 22.866 9.167 7.303 1.00 0.00 C ATOM 0 H ALA A 27 20.552 10.406 6.280 1.00 0.00 H new ATOM 0 HA ALA A 27 21.865 10.153 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.858 9.278 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 27 22.459 8.191 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.937 9.248 6.218 1.00 0.00 H new ATOM 384 N THR A 28 21.671 12.629 7.397 1.00 0.00 N ATOM 385 CA THR A 28 22.106 13.991 7.114 1.00 0.00 C ATOM 386 C THR A 28 21.113 15.011 7.661 1.00 0.00 C ATOM 387 O THR A 28 19.995 14.663 8.037 1.00 0.00 O ATOM 388 CB THR A 28 22.279 14.222 5.601 1.00 0.00 C ATOM 389 OG1 THR A 28 22.912 15.485 5.367 1.00 0.00 O ATOM 390 CG2 THR A 28 20.935 14.184 4.890 1.00 0.00 C ATOM 0 H THR A 28 20.660 12.516 7.470 1.00 0.00 H new ATOM 0 HA THR A 28 23.069 14.124 7.608 1.00 0.00 H new ATOM 0 HB THR A 28 22.905 13.423 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.020 15.623 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 28 21.083 14.350 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.469 13.211 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.289 14.964 5.292 1.00 0.00 H new ATOM 398 N GLY A 29 21.530 16.272 7.703 1.00 0.00 N ATOM 399 CA GLY A 29 20.665 17.323 8.206 1.00 0.00 C ATOM 400 C GLY A 29 19.640 17.770 7.183 1.00 0.00 C ATOM 401 O GLY A 29 19.674 18.908 6.714 1.00 0.00 O ATOM 0 H GLY A 29 22.452 16.585 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.151 16.970 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.272 18.177 8.504 1.00 0.00 H new ATOM 405 N THR A 30 18.725 16.871 6.832 1.00 0.00 N ATOM 406 CA THR A 30 17.688 17.178 5.855 1.00 0.00 C ATOM 407 C THR A 30 16.400 16.423 6.166 1.00 0.00 C ATOM 408 O THR A 30 16.429 15.244 6.515 1.00 0.00 O ATOM 409 CB THR A 30 18.142 16.828 4.425 1.00 0.00 C ATOM 410 OG1 THR A 30 19.466 17.323 4.197 1.00 0.00 O ATOM 411 CG2 THR A 30 17.190 17.418 3.396 1.00 0.00 C ATOM 0 H THR A 30 18.681 15.925 7.210 1.00 0.00 H new ATOM 0 HA THR A 30 17.502 18.250 5.917 1.00 0.00 H new ATOM 0 HB THR A 30 18.137 15.743 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.748 17.095 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 30 17.531 17.158 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 16.189 17.017 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 30 17.167 18.503 3.501 1.00 0.00 H new ATOM 419 N GLY A 31 15.270 17.112 6.036 1.00 0.00 N ATOM 420 CA GLY A 31 13.987 16.490 6.306 1.00 0.00 C ATOM 421 C GLY A 31 13.521 15.605 5.168 1.00 0.00 C ATOM 422 O GLY A 31 12.364 15.675 4.752 1.00 0.00 O ATOM 0 H GLY A 31 15.220 18.089 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.059 15.897 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.242 17.265 6.488 1.00 0.00 H new ATOM 426 N SER A 32 14.423 14.771 4.660 1.00 0.00 N ATOM 427 CA SER A 32 14.099 13.872 3.559 1.00 0.00 C ATOM 428 C SER A 32 14.125 12.418 4.019 1.00 0.00 C ATOM 429 O SER A 32 15.186 11.866 4.312 1.00 0.00 O ATOM 430 CB SER A 32 15.082 14.072 2.404 1.00 0.00 C ATOM 431 OG SER A 32 15.018 15.395 1.902 1.00 0.00 O ATOM 0 H SER A 32 15.384 14.699 4.994 1.00 0.00 H new ATOM 0 HA SER A 32 13.092 14.107 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.095 13.857 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.857 13.365 1.605 1.00 0.00 H new ATOM 0 HG SER A 32 15.657 15.497 1.166 1.00 0.00 H new ATOM 437 N LYS A 33 12.950 11.802 4.081 1.00 0.00 N ATOM 438 CA LYS A 33 12.835 10.411 4.504 1.00 0.00 C ATOM 439 C LYS A 33 12.516 9.507 3.318 1.00 0.00 C ATOM 440 O LYS A 33 12.038 9.969 2.282 1.00 0.00 O ATOM 441 CB LYS A 33 11.749 10.270 5.573 1.00 0.00 C ATOM 442 CG LYS A 33 12.241 10.555 6.981 1.00 0.00 C ATOM 443 CD LYS A 33 11.223 10.128 8.025 1.00 0.00 C ATOM 444 CE LYS A 33 11.862 9.972 9.396 1.00 0.00 C ATOM 445 NZ LYS A 33 12.640 8.707 9.504 1.00 0.00 N ATOM 0 H LYS A 33 12.062 12.245 3.843 1.00 0.00 H new ATOM 0 HA LYS A 33 13.793 10.105 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.930 10.950 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.344 9.259 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.181 10.030 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.447 11.620 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.423 10.866 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.767 9.184 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.519 10.820 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.087 9.988 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.449 8.260 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.359 8.060 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.656 8.916 9.425 1.00 0.00 H new ATOM 459 N VAL A 34 12.784 8.214 3.476 1.00 0.00 N ATOM 460 CA VAL A 34 12.523 7.244 2.420 1.00 0.00 C ATOM 461 C VAL A 34 12.175 5.878 3.001 1.00 0.00 C ATOM 462 O VAL A 34 12.575 5.547 4.116 1.00 0.00 O ATOM 463 CB VAL A 34 13.735 7.097 1.481 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.212 8.461 1.007 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.859 6.343 2.177 1.00 0.00 C ATOM 0 H VAL A 34 13.182 7.815 4.326 1.00 0.00 H new ATOM 0 HA VAL A 34 11.674 7.619 1.849 1.00 0.00 H new ATOM 0 HB VAL A 34 13.428 6.522 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.069 8.337 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.407 8.961 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.503 9.064 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.708 6.248 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.166 6.889 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.509 5.351 2.462 1.00 0.00 H new ATOM 475 N GLY A 35 11.428 5.088 2.236 1.00 0.00 N ATOM 476 CA GLY A 35 11.039 3.766 2.692 1.00 0.00 C ATOM 477 C GLY A 35 10.593 2.869 1.554 1.00 0.00 C ATOM 478 O GLY A 35 10.405 3.328 0.428 1.00 0.00 O ATOM 0 H GLY A 35 11.085 5.340 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.879 3.302 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.230 3.858 3.417 1.00 0.00 H new ATOM 482 N LYS A 36 10.423 1.584 1.848 1.00 0.00 N ATOM 483 CA LYS A 36 9.996 0.619 0.843 1.00 0.00 C ATOM 484 C LYS A 36 8.816 -0.206 1.346 1.00 0.00 C ATOM 485 O LYS A 36 8.922 -0.912 2.350 1.00 0.00 O ATOM 486 CB LYS A 36 11.156 -0.307 0.469 1.00 0.00 C ATOM 487 CG LYS A 36 11.998 0.209 -0.685 1.00 0.00 C ATOM 488 CD LYS A 36 12.676 -0.928 -1.431 1.00 0.00 C ATOM 489 CE LYS A 36 11.714 -1.623 -2.381 1.00 0.00 C ATOM 490 NZ LYS A 36 12.424 -2.248 -3.531 1.00 0.00 N ATOM 0 H LYS A 36 10.575 1.187 2.775 1.00 0.00 H new ATOM 0 HA LYS A 36 9.680 1.171 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.795 -0.445 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.758 -1.287 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.368 0.773 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.753 0.898 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.526 -0.540 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.069 -1.651 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.157 -2.388 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.986 -0.902 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.020 -1.895 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.434 -2.005 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.314 -3.281 -3.487 1.00 0.00 H new ATOM 504 N LEU A 37 7.692 -0.113 0.644 1.00 0.00 N ATOM 505 CA LEU A 37 6.492 -0.852 1.019 1.00 0.00 C ATOM 506 C LEU A 37 6.180 -1.939 -0.004 1.00 0.00 C ATOM 507 O LEU A 37 6.305 -1.727 -1.211 1.00 0.00 O ATOM 508 CB LEU A 37 5.302 0.101 1.147 1.00 0.00 C ATOM 509 CG LEU A 37 3.918 -0.550 1.148 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.492 -0.895 2.567 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.897 0.366 0.490 1.00 0.00 C ATOM 0 H LEU A 37 7.587 0.467 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 37 6.674 -1.328 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.415 0.669 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.345 0.816 0.325 1.00 0.00 H new ATOM 0 HG LEU A 37 3.971 -1.474 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.505 -1.357 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.210 -1.589 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.456 0.014 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.918 -0.114 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.846 1.307 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.195 0.562 -0.540 1.00 0.00 H new ATOM 523 N THR A 38 5.771 -3.106 0.485 1.00 0.00 N ATOM 524 CA THR A 38 5.440 -4.226 -0.385 1.00 0.00 C ATOM 525 C THR A 38 4.061 -4.788 -0.058 1.00 0.00 C ATOM 526 O THR A 38 3.800 -5.203 1.072 1.00 0.00 O ATOM 527 CB THR A 38 6.482 -5.355 -0.270 1.00 0.00 C ATOM 528 OG1 THR A 38 7.793 -4.839 -0.525 1.00 0.00 O ATOM 529 CG2 THR A 38 6.174 -6.478 -1.249 1.00 0.00 C ATOM 0 H THR A 38 5.661 -3.299 1.481 1.00 0.00 H new ATOM 0 HA THR A 38 5.441 -3.843 -1.406 1.00 0.00 H new ATOM 0 HB THR A 38 6.440 -5.756 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.450 -5.562 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.923 -7.263 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.187 -6.888 -1.033 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.190 -6.088 -2.267 1.00 0.00 H new ATOM 537 N LEU A 39 3.181 -4.800 -1.053 1.00 0.00 N ATOM 538 CA LEU A 39 1.827 -5.312 -0.871 1.00 0.00 C ATOM 539 C LEU A 39 1.606 -6.573 -1.701 1.00 0.00 C ATOM 540 O LEU A 39 2.029 -6.652 -2.855 1.00 0.00 O ATOM 541 CB LEU A 39 0.801 -4.246 -1.258 1.00 0.00 C ATOM 542 CG LEU A 39 0.320 -3.336 -0.128 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.504 -2.725 0.605 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.592 -2.246 -0.672 1.00 0.00 C ATOM 0 H LEU A 39 3.381 -4.461 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 39 1.699 -5.565 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.232 -3.622 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.066 -4.745 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.249 -3.938 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.143 -2.080 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.119 -3.519 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.100 -2.137 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.925 -1.608 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.047 -1.646 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.458 -2.702 -1.152 1.00 0.00 H new ATOM 556 N LYS A 40 0.938 -7.556 -1.108 1.00 0.00 N ATOM 557 CA LYS A 40 0.656 -8.813 -1.792 1.00 0.00 C ATOM 558 C LYS A 40 -0.677 -8.743 -2.530 1.00 0.00 C ATOM 559 O LYS A 40 -1.741 -8.885 -1.927 1.00 0.00 O ATOM 560 CB LYS A 40 0.637 -9.970 -0.791 1.00 0.00 C ATOM 561 CG LYS A 40 0.455 -11.331 -1.438 1.00 0.00 C ATOM 562 CD LYS A 40 0.715 -12.457 -0.451 1.00 0.00 C ATOM 563 CE LYS A 40 2.200 -12.613 -0.162 1.00 0.00 C ATOM 564 NZ LYS A 40 2.503 -13.909 0.506 1.00 0.00 N ATOM 0 H LYS A 40 0.581 -7.507 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 40 1.447 -8.986 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.570 -9.967 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.169 -9.807 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.559 -11.416 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.133 -11.425 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.181 -12.258 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.321 -13.391 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.760 -12.546 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.535 -11.791 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.525 -13.976 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.989 -13.963 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.207 -14.694 -0.109 1.00 0.00 H new ATOM 578 N THR A 41 -0.613 -8.525 -3.840 1.00 0.00 N ATOM 579 CA THR A 41 -1.814 -8.437 -4.660 1.00 0.00 C ATOM 580 C THR A 41 -2.181 -9.796 -5.245 1.00 0.00 C ATOM 581 O THR A 41 -1.406 -10.750 -5.161 1.00 0.00 O ATOM 582 CB THR A 41 -1.637 -7.427 -5.809 1.00 0.00 C ATOM 583 OG1 THR A 41 -0.464 -7.747 -6.566 1.00 0.00 O ATOM 584 CG2 THR A 41 -1.529 -6.009 -5.271 1.00 0.00 C ATOM 0 H THR A 41 0.259 -8.406 -4.356 1.00 0.00 H new ATOM 0 HA THR A 41 -2.618 -8.096 -4.007 1.00 0.00 H new ATOM 0 HB THR A 41 -2.513 -7.487 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.232 -8.085 -5.964 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.405 -5.313 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.436 -5.759 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.669 -5.937 -4.605 1.00 0.00 H new ATOM 592 N THR A 42 -3.367 -9.879 -5.840 1.00 0.00 N ATOM 593 CA THR A 42 -3.837 -11.122 -6.439 1.00 0.00 C ATOM 594 C THR A 42 -2.700 -11.860 -7.136 1.00 0.00 C ATOM 595 O THR A 42 -2.155 -11.382 -8.130 1.00 0.00 O ATOM 596 CB THR A 42 -4.966 -10.864 -7.455 1.00 0.00 C ATOM 597 OG1 THR A 42 -6.077 -10.238 -6.804 1.00 0.00 O ATOM 598 CG2 THR A 42 -5.418 -12.164 -8.103 1.00 0.00 C ATOM 0 H THR A 42 -4.020 -9.099 -5.920 1.00 0.00 H new ATOM 0 HA THR A 42 -4.223 -11.739 -5.627 1.00 0.00 H new ATOM 0 HB THR A 42 -4.582 -10.203 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.790 -10.076 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.216 -11.957 -8.816 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.577 -12.623 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.786 -12.845 -7.335 1.00 0.00 H new ATOM 606 N GLU A 43 -2.348 -13.028 -6.608 1.00 0.00 N ATOM 607 CA GLU A 43 -1.275 -13.832 -7.180 1.00 0.00 C ATOM 608 C GLU A 43 -0.186 -12.943 -7.774 1.00 0.00 C ATOM 609 O GLU A 43 0.356 -13.234 -8.840 1.00 0.00 O ATOM 610 CB GLU A 43 -1.827 -14.768 -8.258 1.00 0.00 C ATOM 611 CG GLU A 43 -2.290 -16.111 -7.719 1.00 0.00 C ATOM 612 CD GLU A 43 -3.733 -16.088 -7.255 1.00 0.00 C ATOM 613 OE1 GLU A 43 -4.591 -15.588 -8.012 1.00 0.00 O ATOM 614 OE2 GLU A 43 -4.005 -16.569 -6.135 1.00 0.00 O ATOM 0 H GLU A 43 -2.790 -13.438 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.838 -14.429 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.663 -14.279 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.057 -14.934 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.174 -16.869 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.650 -16.405 -6.887 1.00 0.00 H new ATOM 621 N MET A 44 0.129 -11.857 -7.075 1.00 0.00 N ATOM 622 CA MET A 44 1.153 -10.925 -7.532 1.00 0.00 C ATOM 623 C MET A 44 1.592 -10.001 -6.400 1.00 0.00 C ATOM 624 O MET A 44 0.784 -9.609 -5.559 1.00 0.00 O ATOM 625 CB MET A 44 0.632 -10.097 -8.708 1.00 0.00 C ATOM 626 CG MET A 44 1.295 -8.735 -8.834 1.00 0.00 C ATOM 627 SD MET A 44 3.008 -8.845 -9.385 1.00 0.00 S ATOM 628 CE MET A 44 3.167 -7.317 -10.305 1.00 0.00 C ATOM 0 H MET A 44 -0.310 -11.601 -6.191 1.00 0.00 H new ATOM 0 HA MET A 44 2.016 -11.505 -7.859 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.788 -10.655 -9.632 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.444 -9.959 -8.596 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.730 -8.124 -9.537 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.259 -8.227 -7.870 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.176 -7.239 -10.710 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.446 -7.308 -11.123 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.976 -6.472 -9.643 1.00 0.00 H new ATOM 638 N GLU A 45 2.876 -9.659 -6.385 1.00 0.00 N ATOM 639 CA GLU A 45 3.421 -8.783 -5.355 1.00 0.00 C ATOM 640 C GLU A 45 3.945 -7.486 -5.965 1.00 0.00 C ATOM 641 O GLU A 45 4.587 -7.495 -7.016 1.00 0.00 O ATOM 642 CB GLU A 45 4.543 -9.491 -4.593 1.00 0.00 C ATOM 643 CG GLU A 45 4.054 -10.611 -3.691 1.00 0.00 C ATOM 644 CD GLU A 45 3.706 -11.870 -4.460 1.00 0.00 C ATOM 645 OE1 GLU A 45 4.598 -12.411 -5.146 1.00 0.00 O ATOM 646 OE2 GLU A 45 2.541 -12.314 -4.378 1.00 0.00 O ATOM 0 H GLU A 45 3.558 -9.975 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 45 2.618 -8.539 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.256 -9.898 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.080 -8.758 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.824 -10.841 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.177 -10.272 -3.140 1.00 0.00 H new ATOM 653 N THR A 46 3.666 -6.370 -5.298 1.00 0.00 N ATOM 654 CA THR A 46 4.107 -5.065 -5.774 1.00 0.00 C ATOM 655 C THR A 46 4.986 -4.371 -4.740 1.00 0.00 C ATOM 656 O THR A 46 4.850 -4.605 -3.539 1.00 0.00 O ATOM 657 CB THR A 46 2.910 -4.155 -6.108 1.00 0.00 C ATOM 658 OG1 THR A 46 2.013 -4.831 -6.996 1.00 0.00 O ATOM 659 CG2 THR A 46 3.379 -2.855 -6.745 1.00 0.00 C ATOM 0 H THR A 46 3.137 -6.344 -4.427 1.00 0.00 H new ATOM 0 HA THR A 46 4.686 -5.238 -6.681 1.00 0.00 H new ATOM 0 HB THR A 46 2.391 -3.919 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.254 -4.246 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.516 -2.229 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.038 -2.328 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.920 -3.075 -7.666 1.00 0.00 H new ATOM 667 N ILE A 47 5.887 -3.516 -5.214 1.00 0.00 N ATOM 668 CA ILE A 47 6.787 -2.787 -4.330 1.00 0.00 C ATOM 669 C ILE A 47 6.659 -1.281 -4.536 1.00 0.00 C ATOM 670 O ILE A 47 7.156 -0.735 -5.521 1.00 0.00 O ATOM 671 CB ILE A 47 8.253 -3.202 -4.551 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.428 -4.699 -4.287 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.175 -2.389 -3.655 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.178 -5.561 -5.505 1.00 0.00 C ATOM 0 H ILE A 47 6.012 -3.312 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 47 6.498 -3.038 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 47 8.519 -3.002 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.440 -4.880 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.747 -5.002 -3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.208 -2.694 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.067 -1.330 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.912 -2.560 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.320 -6.610 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.157 -5.409 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.877 -5.286 -6.295 1.00 0.00 H new ATOM 686 N TYR A 48 5.993 -0.616 -3.599 1.00 0.00 N ATOM 687 CA TYR A 48 5.800 0.827 -3.678 1.00 0.00 C ATOM 688 C TYR A 48 6.907 1.566 -2.933 1.00 0.00 C ATOM 689 O TYR A 48 7.318 1.160 -1.846 1.00 0.00 O ATOM 690 CB TYR A 48 4.437 1.212 -3.101 1.00 0.00 C ATOM 691 CG TYR A 48 3.276 0.509 -3.767 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.827 0.903 -5.022 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.628 -0.550 -3.143 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.766 0.264 -5.634 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.568 -1.196 -3.748 1.00 0.00 C ATOM 696 CZ TYR A 48 1.141 -0.786 -4.994 1.00 0.00 C ATOM 697 OH TYR A 48 0.084 -1.426 -5.600 1.00 0.00 O ATOM 0 H TYR A 48 5.578 -1.053 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 48 5.838 1.116 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.426 0.984 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.302 2.289 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.316 1.723 -5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.959 -0.874 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.428 0.585 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.076 -2.018 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.242 -2.143 -5.017 1.00 0.00 H new ATOM 707 N ASP A 49 7.385 2.655 -3.526 1.00 0.00 N ATOM 708 CA ASP A 49 8.444 3.454 -2.920 1.00 0.00 C ATOM 709 C ASP A 49 7.861 4.501 -1.976 1.00 0.00 C ATOM 710 O ASP A 49 7.076 5.356 -2.389 1.00 0.00 O ATOM 711 CB ASP A 49 9.283 4.134 -4.003 1.00 0.00 C ATOM 712 CG ASP A 49 8.454 5.040 -4.892 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.332 4.640 -5.267 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.928 6.150 -5.213 1.00 0.00 O ATOM 0 H ASP A 49 7.056 3.005 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 49 9.084 2.787 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.075 4.717 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.767 3.373 -4.615 1.00 0.00 H new ATOM 719 N LEU A 50 8.250 4.429 -0.708 1.00 0.00 N ATOM 720 CA LEU A 50 7.766 5.371 0.295 1.00 0.00 C ATOM 721 C LEU A 50 8.667 6.600 0.368 1.00 0.00 C ATOM 722 O LEU A 50 9.841 6.544 0.005 1.00 0.00 O ATOM 723 CB LEU A 50 7.694 4.695 1.665 1.00 0.00 C ATOM 724 CG LEU A 50 6.901 3.389 1.729 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.863 2.857 3.153 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.491 3.596 1.196 1.00 0.00 C ATOM 0 H LEU A 50 8.899 3.728 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 50 6.767 5.693 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.711 4.496 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.255 5.398 2.372 1.00 0.00 H new ATOM 0 HG LEU A 50 7.400 2.651 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.295 1.927 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.880 2.670 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.388 3.591 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.941 2.657 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.982 4.349 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.539 3.931 0.160 1.00 0.00 H new ATOM 738 N GLY A 51 8.109 7.709 0.843 1.00 0.00 N ATOM 739 CA GLY A 51 8.876 8.936 0.958 1.00 0.00 C ATOM 740 C GLY A 51 8.817 9.529 2.351 1.00 0.00 C ATOM 741 O GLY A 51 9.086 8.844 3.339 1.00 0.00 O ATOM 0 H GLY A 51 7.139 7.780 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.915 8.737 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.499 9.665 0.240 1.00 0.00 H new ATOM 745 N THR A 52 8.465 10.808 2.434 1.00 0.00 N ATOM 746 CA THR A 52 8.374 11.495 3.716 1.00 0.00 C ATOM 747 C THR A 52 6.925 11.621 4.171 1.00 0.00 C ATOM 748 O THR A 52 6.614 11.441 5.349 1.00 0.00 O ATOM 749 CB THR A 52 9.002 12.900 3.647 1.00 0.00 C ATOM 750 OG1 THR A 52 10.231 12.851 2.913 1.00 0.00 O ATOM 751 CG2 THR A 52 9.261 13.446 5.043 1.00 0.00 C ATOM 0 H THR A 52 8.238 11.390 1.627 1.00 0.00 H new ATOM 0 HA THR A 52 8.927 10.893 4.436 1.00 0.00 H new ATOM 0 HB THR A 52 8.302 13.563 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.623 13.748 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.705 14.439 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.320 13.509 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.944 12.782 5.572 1.00 0.00 H new ATOM 759 N LYS A 53 6.039 11.929 3.230 1.00 0.00 N ATOM 760 CA LYS A 53 4.620 12.077 3.533 1.00 0.00 C ATOM 761 C LYS A 53 3.963 10.716 3.738 1.00 0.00 C ATOM 762 O LYS A 53 3.189 10.526 4.676 1.00 0.00 O ATOM 763 CB LYS A 53 3.913 12.832 2.405 1.00 0.00 C ATOM 764 CG LYS A 53 3.945 14.342 2.569 1.00 0.00 C ATOM 765 CD LYS A 53 3.824 15.051 1.231 1.00 0.00 C ATOM 766 CE LYS A 53 2.380 15.106 0.758 1.00 0.00 C ATOM 767 NZ LYS A 53 1.527 15.916 1.671 1.00 0.00 N ATOM 0 H LYS A 53 6.279 12.081 2.250 1.00 0.00 H new ATOM 0 HA LYS A 53 4.529 12.648 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.379 12.568 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.875 12.503 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.131 14.655 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.875 14.636 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.218 16.063 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.432 14.535 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.343 15.530 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.981 14.094 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.691 16.257 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.222 15.329 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.071 16.729 2.024 1.00 0.00 H new ATOM 781 N MET A 54 4.277 9.773 2.857 1.00 0.00 N ATOM 782 CA MET A 54 3.719 8.429 2.944 1.00 0.00 C ATOM 783 C MET A 54 3.962 7.828 4.324 1.00 0.00 C ATOM 784 O MET A 54 3.070 7.214 4.910 1.00 0.00 O ATOM 785 CB MET A 54 4.329 7.529 1.868 1.00 0.00 C ATOM 786 CG MET A 54 3.844 7.847 0.463 1.00 0.00 C ATOM 787 SD MET A 54 3.867 6.408 -0.623 1.00 0.00 S ATOM 788 CE MET A 54 2.590 6.849 -1.798 1.00 0.00 C ATOM 0 H MET A 54 4.915 9.915 2.074 1.00 0.00 H new ATOM 0 HA MET A 54 2.643 8.498 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.414 7.624 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.093 6.490 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.830 8.242 0.514 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.470 8.630 0.035 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.473 6.047 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.648 7.001 -1.271 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.871 7.768 -2.313 1.00 0.00 H new ATOM 798 N ILE A 55 5.175 8.008 4.838 1.00 0.00 N ATOM 799 CA ILE A 55 5.534 7.484 6.150 1.00 0.00 C ATOM 800 C ILE A 55 4.682 8.115 7.246 1.00 0.00 C ATOM 801 O ILE A 55 4.123 7.415 8.090 1.00 0.00 O ATOM 802 CB ILE A 55 7.021 7.729 6.466 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.907 7.003 5.451 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.344 7.272 7.881 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.384 7.273 5.636 1.00 0.00 C ATOM 0 H ILE A 55 5.925 8.513 4.366 1.00 0.00 H new ATOM 0 HA ILE A 55 5.349 6.410 6.122 1.00 0.00 H new ATOM 0 HB ILE A 55 7.221 8.798 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.730 5.930 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.614 7.303 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.399 7.452 8.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.734 7.829 8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.131 6.207 7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.951 6.726 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.575 8.341 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.692 6.947 6.629 1.00 0.00 H new ATOM 817 N GLU A 56 4.587 9.440 7.225 1.00 0.00 N ATOM 818 CA GLU A 56 3.801 10.165 8.217 1.00 0.00 C ATOM 819 C GLU A 56 2.470 9.465 8.474 1.00 0.00 C ATOM 820 O GLU A 56 1.909 9.557 9.566 1.00 0.00 O ATOM 821 CB GLU A 56 3.554 11.602 7.753 1.00 0.00 C ATOM 822 CG GLU A 56 4.723 12.536 8.015 1.00 0.00 C ATOM 823 CD GLU A 56 4.296 13.987 8.133 1.00 0.00 C ATOM 824 OE1 GLU A 56 3.955 14.591 7.095 1.00 0.00 O ATOM 825 OE2 GLU A 56 4.303 14.517 9.263 1.00 0.00 O ATOM 0 H GLU A 56 5.044 10.034 6.533 1.00 0.00 H new ATOM 0 HA GLU A 56 4.367 10.184 9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.336 11.597 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.669 11.991 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.226 12.233 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.449 12.439 7.207 1.00 0.00 H new ATOM 832 N SER A 57 1.970 8.766 7.460 1.00 0.00 N ATOM 833 CA SER A 57 0.702 8.054 7.573 1.00 0.00 C ATOM 834 C SER A 57 0.908 6.674 8.190 1.00 0.00 C ATOM 835 O SER A 57 0.086 6.204 8.978 1.00 0.00 O ATOM 836 CB SER A 57 0.045 7.919 6.199 1.00 0.00 C ATOM 837 OG SER A 57 -0.509 9.152 5.774 1.00 0.00 O ATOM 0 H SER A 57 2.424 8.677 6.551 1.00 0.00 H new ATOM 0 HA SER A 57 0.046 8.630 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.782 7.578 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.737 7.160 6.239 1.00 0.00 H new ATOM 0 HG SER A 57 -0.921 9.039 4.892 1.00 0.00 H new ATOM 843 N LEU A 58 2.011 6.029 7.826 1.00 0.00 N ATOM 844 CA LEU A 58 2.327 4.702 8.342 1.00 0.00 C ATOM 845 C LEU A 58 2.740 4.772 9.809 1.00 0.00 C ATOM 846 O LEU A 58 2.656 3.782 10.537 1.00 0.00 O ATOM 847 CB LEU A 58 3.445 4.064 7.516 1.00 0.00 C ATOM 848 CG LEU A 58 3.158 3.883 6.025 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.926 2.692 5.474 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.665 3.714 5.786 1.00 0.00 C ATOM 0 H LEU A 58 2.701 6.404 7.175 1.00 0.00 H new ATOM 0 HA LEU A 58 1.430 4.087 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.341 4.675 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.673 3.087 7.943 1.00 0.00 H new ATOM 0 HG LEU A 58 3.491 4.778 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.709 2.579 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.995 2.854 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.625 1.788 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.479 3.586 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.307 2.836 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.137 4.598 6.143 1.00 0.00 H new ATOM 862 N THR A 59 3.183 5.950 10.238 1.00 0.00 N ATOM 863 CA THR A 59 3.608 6.150 11.617 1.00 0.00 C ATOM 864 C THR A 59 2.445 6.611 12.489 1.00 0.00 C ATOM 865 O THR A 59 2.209 6.065 13.567 1.00 0.00 O ATOM 866 CB THR A 59 4.745 7.184 11.710 1.00 0.00 C ATOM 867 OG1 THR A 59 4.458 8.306 10.868 1.00 0.00 O ATOM 868 CG2 THR A 59 6.074 6.565 11.303 1.00 0.00 C ATOM 0 H THR A 59 3.257 6.780 9.649 1.00 0.00 H new ATOM 0 HA THR A 59 3.971 5.188 11.978 1.00 0.00 H new ATOM 0 HB THR A 59 4.819 7.517 12.745 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.185 8.959 10.934 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.862 7.314 11.377 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.304 5.730 11.965 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.009 6.207 10.276 1.00 0.00 H new ATOM 876 N LYS A 60 1.720 7.618 12.016 1.00 0.00 N ATOM 877 CA LYS A 60 0.579 8.152 12.751 1.00 0.00 C ATOM 878 C LYS A 60 -0.377 7.036 13.157 1.00 0.00 C ATOM 879 O LYS A 60 -1.058 7.130 14.178 1.00 0.00 O ATOM 880 CB LYS A 60 -0.161 9.188 11.902 1.00 0.00 C ATOM 881 CG LYS A 60 -1.555 9.509 12.412 1.00 0.00 C ATOM 882 CD LYS A 60 -2.585 8.532 11.871 1.00 0.00 C ATOM 883 CE LYS A 60 -3.957 9.177 11.751 1.00 0.00 C ATOM 884 NZ LYS A 60 -3.947 10.329 10.807 1.00 0.00 N ATOM 0 H LYS A 60 1.902 8.082 11.126 1.00 0.00 H new ATOM 0 HA LYS A 60 0.954 8.632 13.655 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.426 10.106 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.233 8.821 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.561 9.479 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.826 10.524 12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.266 8.169 10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.646 7.665 12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.679 8.435 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.287 9.515 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.882 10.420 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.725 11.202 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.227 10.171 10.073 1.00 0.00 H new ATOM 898 N ASP A 61 -0.422 5.979 12.352 1.00 0.00 N ATOM 899 CA ASP A 61 -1.293 4.843 12.630 1.00 0.00 C ATOM 900 C ASP A 61 -0.475 3.603 12.974 1.00 0.00 C ATOM 901 O ASP A 61 -1.014 2.601 13.444 1.00 0.00 O ATOM 902 CB ASP A 61 -2.193 4.558 11.427 1.00 0.00 C ATOM 903 CG ASP A 61 -3.473 5.371 11.455 1.00 0.00 C ATOM 904 OD1 ASP A 61 -3.953 5.682 12.565 1.00 0.00 O ATOM 905 OD2 ASP A 61 -3.994 5.696 10.368 1.00 0.00 O ATOM 0 H ASP A 61 0.134 5.886 11.502 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.916 5.095 13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.647 4.777 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.441 3.497 11.406 1.00 0.00 H new ATOM 910 N LYS A 62 0.830 3.676 12.735 1.00 0.00 N ATOM 911 CA LYS A 62 1.724 2.560 13.020 1.00 0.00 C ATOM 912 C LYS A 62 1.378 1.351 12.156 1.00 0.00 C ATOM 913 O LYS A 62 1.435 0.210 12.615 1.00 0.00 O ATOM 914 CB LYS A 62 1.645 2.181 14.500 1.00 0.00 C ATOM 915 CG LYS A 62 1.845 3.357 15.441 1.00 0.00 C ATOM 916 CD LYS A 62 0.530 4.057 15.744 1.00 0.00 C ATOM 917 CE LYS A 62 0.591 4.809 17.064 1.00 0.00 C ATOM 918 NZ LYS A 62 -0.758 5.252 17.514 1.00 0.00 N ATOM 0 H LYS A 62 1.292 4.497 12.344 1.00 0.00 H new ATOM 0 HA LYS A 62 2.741 2.873 12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.674 1.728 14.699 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.399 1.424 14.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.296 3.008 16.370 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.542 4.067 14.995 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.292 4.752 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.275 3.323 15.779 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.036 4.169 17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.241 5.677 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.673 5.761 18.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.173 5.883 16.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.372 4.422 17.641 1.00 0.00 H new ATOM 932 N VAL A 63 1.020 1.609 10.902 1.00 0.00 N ATOM 933 CA VAL A 63 0.667 0.542 9.973 1.00 0.00 C ATOM 934 C VAL A 63 1.687 -0.590 10.023 1.00 0.00 C ATOM 935 O VAL A 63 2.892 -0.349 10.085 1.00 0.00 O ATOM 936 CB VAL A 63 0.567 1.066 8.528 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.287 -0.076 7.564 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.506 2.139 8.423 1.00 0.00 C ATOM 0 H VAL A 63 0.967 2.548 10.506 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.307 0.163 10.282 1.00 0.00 H new ATOM 0 HB VAL A 63 1.523 1.513 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.220 0.314 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.095 -0.806 7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.654 -0.556 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.563 2.498 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.469 1.720 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.256 2.969 9.084 1.00 0.00 H new ATOM 948 N GLN A 64 1.195 -1.824 9.994 1.00 0.00 N ATOM 949 CA GLN A 64 2.065 -2.994 10.036 1.00 0.00 C ATOM 950 C GLN A 64 1.548 -4.090 9.110 1.00 0.00 C ATOM 951 O GLN A 64 0.394 -4.062 8.683 1.00 0.00 O ATOM 952 CB GLN A 64 2.170 -3.526 11.466 1.00 0.00 C ATOM 953 CG GLN A 64 2.959 -2.618 12.396 1.00 0.00 C ATOM 954 CD GLN A 64 4.450 -2.887 12.348 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.885 -3.974 11.965 1.00 0.00 O ATOM 956 NE2 GLN A 64 5.244 -1.896 12.737 1.00 0.00 N ATOM 0 H GLN A 64 0.199 -2.040 9.942 1.00 0.00 H new ATOM 0 HA GLN A 64 3.055 -2.692 9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.166 -3.662 11.869 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.641 -4.509 11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.772 -1.578 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.602 -2.752 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.841 -1.012 13.047 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.256 -2.019 12.726 1.00 0.00 H new ATOM 965 N ALA A 65 2.410 -5.054 8.803 1.00 0.00 N ATOM 966 CA ALA A 65 2.040 -6.160 7.929 1.00 0.00 C ATOM 967 C ALA A 65 0.766 -6.842 8.416 1.00 0.00 C ATOM 968 O ALA A 65 0.580 -7.047 9.615 1.00 0.00 O ATOM 969 CB ALA A 65 3.179 -7.165 7.840 1.00 0.00 C ATOM 0 H ALA A 65 3.370 -5.091 9.147 1.00 0.00 H new ATOM 0 HA ALA A 65 1.847 -5.757 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.889 -7.986 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.066 -6.675 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.399 -7.555 8.834 1.00 0.00 H new ATOM 975 N GLY A 66 -0.108 -7.192 7.478 1.00 0.00 N ATOM 976 CA GLY A 66 -1.354 -7.847 7.832 1.00 0.00 C ATOM 977 C GLY A 66 -2.567 -6.992 7.523 1.00 0.00 C ATOM 978 O GLY A 66 -3.612 -7.506 7.125 1.00 0.00 O ATOM 0 H GLY A 66 0.024 -7.034 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.431 -8.790 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.345 -8.088 8.895 1.00 0.00 H new ATOM 982 N ASP A 67 -2.429 -5.684 7.708 1.00 0.00 N ATOM 983 CA ASP A 67 -3.522 -4.755 7.447 1.00 0.00 C ATOM 984 C ASP A 67 -3.466 -4.239 6.013 1.00 0.00 C ATOM 985 O ASP A 67 -2.409 -3.835 5.528 1.00 0.00 O ATOM 986 CB ASP A 67 -3.469 -3.582 8.427 1.00 0.00 C ATOM 987 CG ASP A 67 -4.241 -3.857 9.702 1.00 0.00 C ATOM 988 OD1 ASP A 67 -3.694 -4.542 10.591 1.00 0.00 O ATOM 989 OD2 ASP A 67 -5.394 -3.388 9.811 1.00 0.00 O ATOM 0 H ASP A 67 -1.571 -5.243 8.038 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.461 -5.291 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.430 -3.366 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.874 -2.692 7.946 1.00 0.00 H new ATOM 994 N VAL A 68 -4.611 -4.256 5.338 1.00 0.00 N ATOM 995 CA VAL A 68 -4.692 -3.789 3.959 1.00 0.00 C ATOM 996 C VAL A 68 -4.768 -2.268 3.897 1.00 0.00 C ATOM 997 O VAL A 68 -5.756 -1.668 4.323 1.00 0.00 O ATOM 998 CB VAL A 68 -5.916 -4.383 3.236 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.059 -3.784 1.846 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.808 -5.899 3.164 1.00 0.00 C ATOM 0 H VAL A 68 -5.495 -4.588 5.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.784 -4.125 3.458 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.810 -4.132 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.929 -4.216 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.186 -2.704 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.165 -4.001 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.681 -6.302 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.906 -6.174 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.760 -6.309 4.173 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.720 -1.650 3.363 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.669 -0.198 3.244 1.00 0.00 C ATOM 1012 C ILE A 69 -3.788 0.239 1.788 1.00 0.00 C ATOM 1013 O ILE A 69 -3.464 -0.518 0.872 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.363 0.370 3.833 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.155 -0.164 3.060 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.252 0.019 5.309 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.762 0.699 1.882 1.00 0.00 C ATOM 0 H ILE A 69 -2.895 -2.132 3.006 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.514 0.194 3.809 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.380 1.456 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.306 -0.246 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.377 -1.170 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.325 0.427 5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.099 0.443 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.253 -1.065 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.101 0.260 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.595 0.761 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.508 1.699 2.233 1.00 0.00 H new ATOM 1029 N THR A 70 -4.255 1.466 1.580 1.00 0.00 N ATOM 1030 CA THR A 70 -4.417 2.005 0.236 1.00 0.00 C ATOM 1031 C THR A 70 -3.344 3.042 -0.074 1.00 0.00 C ATOM 1032 O THR A 70 -2.665 3.534 0.828 1.00 0.00 O ATOM 1033 CB THR A 70 -5.805 2.647 0.052 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.071 3.555 1.127 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.891 1.584 -0.002 1.00 0.00 C ATOM 0 H THR A 70 -4.528 2.106 2.326 1.00 0.00 H new ATOM 0 HA THR A 70 -4.318 1.167 -0.454 1.00 0.00 H new ATOM 0 HB THR A 70 -5.806 3.192 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.095 3.062 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.862 2.062 -0.132 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.702 0.913 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.889 1.014 0.927 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.198 3.371 -1.353 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.208 4.352 -1.780 1.00 0.00 C ATOM 1045 C ILE A 71 -2.800 5.323 -2.796 1.00 0.00 C ATOM 1046 O ILE A 71 -3.075 4.953 -3.938 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.971 3.672 -2.397 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.256 2.818 -1.348 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.025 4.715 -2.973 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.707 1.814 -1.942 1.00 0.00 C ATOM 0 H ILE A 71 -3.752 2.973 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.904 4.902 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.299 3.021 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.288 3.473 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.000 2.288 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.844 4.219 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.539 5.285 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.299 5.389 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.178 1.244 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.165 1.135 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.473 2.339 -2.513 1.00 0.00 H new ATOM 1062 N ASP A 72 -2.992 6.568 -2.374 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.548 7.595 -3.247 1.00 0.00 C ATOM 1064 C ASP A 72 -2.439 8.362 -3.960 1.00 0.00 C ATOM 1065 O ASP A 72 -1.757 9.192 -3.358 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.418 8.562 -2.443 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.504 9.201 -3.287 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.207 9.604 -4.431 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.651 9.298 -2.802 1.00 0.00 O ATOM 0 H ASP A 72 -2.771 6.890 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.165 7.102 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.876 8.028 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.789 9.342 -2.014 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.262 8.077 -5.246 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.235 8.740 -6.042 1.00 0.00 C ATOM 1076 C LYS A 73 -1.601 10.198 -6.298 1.00 0.00 C ATOM 1077 O LYS A 73 -0.729 11.062 -6.376 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.044 8.010 -7.374 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.470 6.612 -7.224 1.00 0.00 C ATOM 1080 CD LYS A 73 0.064 6.084 -8.545 1.00 0.00 C ATOM 1081 CE LYS A 73 1.503 6.519 -8.778 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.579 7.871 -9.398 1.00 0.00 N ATOM 0 H LYS A 73 -2.816 7.392 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.301 8.712 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.005 7.946 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.383 8.599 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.331 6.624 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.241 5.940 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.006 4.996 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.563 6.443 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.039 6.524 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.002 5.795 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.310 7.873 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.659 8.112 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.821 8.574 -8.670 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.897 10.465 -6.425 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.378 11.819 -6.668 1.00 0.00 C ATOM 1098 C ALA A 74 -2.679 12.821 -5.756 1.00 0.00 C ATOM 1099 O ALA A 74 -2.118 13.814 -6.221 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.886 11.886 -6.473 1.00 0.00 C ATOM 0 H ALA A 74 -3.632 9.761 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.144 12.082 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.232 12.903 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.374 11.205 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.134 11.598 -5.451 1.00 0.00 H new ATOM 1106 N THR A 75 -2.717 12.557 -4.453 1.00 0.00 N ATOM 1107 CA THR A 75 -2.090 13.437 -3.476 1.00 0.00 C ATOM 1108 C THR A 75 -0.826 12.807 -2.901 1.00 0.00 C ATOM 1109 O THR A 75 0.065 13.507 -2.422 1.00 0.00 O ATOM 1110 CB THR A 75 -3.053 13.772 -2.322 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.429 14.685 -1.412 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.467 12.511 -1.578 1.00 0.00 C ATOM 0 H THR A 75 -3.176 11.740 -4.051 1.00 0.00 H new ATOM 0 HA THR A 75 -1.829 14.356 -4.000 1.00 0.00 H new ATOM 0 HB THR A 75 -3.945 14.234 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.456 14.582 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.147 12.773 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.968 11.830 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.583 12.025 -1.166 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.755 11.480 -2.953 1.00 0.00 N ATOM 1121 CA GLY A 76 0.405 10.779 -2.434 1.00 0.00 C ATOM 1122 C GLY A 76 0.250 10.402 -0.974 1.00 0.00 C ATOM 1123 O GLY A 76 1.237 10.275 -0.249 1.00 0.00 O ATOM 0 H GLY A 76 -1.480 10.879 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.574 9.877 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.288 11.407 -2.552 1.00 0.00 H new ATOM 1127 N LYS A 77 -0.993 10.223 -0.540 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.276 9.859 0.843 1.00 0.00 C ATOM 1129 C LYS A 77 -1.756 8.414 0.938 1.00 0.00 C ATOM 1130 O LYS A 77 -2.295 7.865 -0.024 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.331 10.798 1.434 1.00 0.00 C ATOM 1132 CG LYS A 77 -1.761 12.113 1.936 1.00 0.00 C ATOM 1133 CD LYS A 77 -2.623 12.710 3.036 1.00 0.00 C ATOM 1134 CE LYS A 77 -3.865 13.379 2.469 1.00 0.00 C ATOM 1135 NZ LYS A 77 -4.372 14.457 3.363 1.00 0.00 N ATOM 0 H LYS A 77 -1.821 10.324 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.352 9.955 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.087 11.005 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.835 10.292 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.750 11.953 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.686 12.818 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.917 11.927 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.041 13.439 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.637 13.798 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.645 12.632 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.219 14.888 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.614 14.054 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.637 15.183 3.483 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.558 7.805 2.102 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.973 6.425 2.322 1.00 0.00 C ATOM 1151 C ILE A 78 -3.049 6.340 3.399 1.00 0.00 C ATOM 1152 O ILE A 78 -2.969 7.015 4.425 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.783 5.537 2.729 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.165 5.341 1.544 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.276 4.195 3.247 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.591 5.044 1.953 1.00 0.00 C ATOM 0 H ILE A 78 -1.113 8.245 2.907 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.379 6.063 1.377 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.235 6.034 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.205 4.523 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.152 6.239 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.423 3.579 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.915 4.353 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.845 3.690 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.206 4.917 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.979 5.872 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.617 4.129 2.545 1.00 0.00 H new ATOM 1168 N SER A 79 -4.054 5.504 3.159 1.00 0.00 N ATOM 1169 CA SER A 79 -5.148 5.331 4.108 1.00 0.00 C ATOM 1170 C SER A 79 -5.312 3.862 4.486 1.00 0.00 C ATOM 1171 O SER A 79 -5.329 2.984 3.623 1.00 0.00 O ATOM 1172 CB SER A 79 -6.453 5.866 3.517 1.00 0.00 C ATOM 1173 OG SER A 79 -6.431 7.280 3.427 1.00 0.00 O ATOM 0 H SER A 79 -4.134 4.936 2.316 1.00 0.00 H new ATOM 0 HA SER A 79 -4.907 5.895 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.610 5.438 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.292 5.551 4.137 1.00 0.00 H new ATOM 0 HG SER A 79 -7.276 7.597 3.045 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.432 3.602 5.783 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.596 2.240 6.279 1.00 0.00 C ATOM 1181 C LYS A 80 -7.072 1.867 6.365 1.00 0.00 C ATOM 1182 O LYS A 80 -7.903 2.670 6.792 1.00 0.00 O ATOM 1183 CB LYS A 80 -4.941 2.094 7.654 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.824 0.653 8.122 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.250 0.568 9.526 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.294 0.915 10.577 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.429 2.387 10.759 1.00 0.00 N ATOM 0 H LYS A 80 -5.419 4.317 6.511 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.108 1.563 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.946 2.539 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.520 2.659 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.807 0.182 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.188 0.096 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.872 -0.439 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.402 1.247 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.257 0.495 10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.020 0.455 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.357 2.620 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.672 2.872 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.353 2.698 10.397 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.393 0.643 5.959 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.770 0.162 5.992 1.00 0.00 C ATOM 1203 C LEU A 81 -8.919 -0.996 6.974 1.00 0.00 C ATOM 1204 O LEU A 81 -9.716 -0.931 7.909 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.211 -0.279 4.595 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.542 0.439 3.423 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.927 -0.216 2.106 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.917 1.914 3.417 1.00 0.00 C ATOM 0 H LEU A 81 -6.718 -0.034 5.603 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.407 0.981 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.021 -1.348 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.289 -0.138 4.514 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.461 0.360 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.441 0.309 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.608 -1.258 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.008 -0.169 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.432 2.409 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.998 2.014 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.590 2.376 4.348 1.00 0.00 H new ATOM 1220 N GLY A 82 -8.144 -2.054 6.756 1.00 0.00 N ATOM 1221 CA GLY A 82 -8.204 -3.210 7.630 1.00 0.00 C ATOM 1222 C GLY A 82 -8.253 -4.516 6.863 1.00 0.00 C ATOM 1223 O GLY A 82 -8.732 -4.560 5.729 1.00 0.00 O ATOM 0 H GLY A 82 -7.476 -2.131 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.334 -3.210 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.085 -3.134 8.268 1.00 0.00 H new ATOM 1227 N ARG A 83 -7.755 -5.583 7.479 1.00 0.00 N ATOM 1228 CA ARG A 83 -7.741 -6.895 6.845 1.00 0.00 C ATOM 1229 C ARG A 83 -9.027 -7.131 6.057 1.00 0.00 C ATOM 1230 O ARG A 83 -10.121 -7.129 6.620 1.00 0.00 O ATOM 1231 CB ARG A 83 -7.567 -7.992 7.897 1.00 0.00 C ATOM 1232 CG ARG A 83 -7.280 -9.363 7.307 1.00 0.00 C ATOM 1233 CD ARG A 83 -6.872 -10.358 8.381 1.00 0.00 C ATOM 1234 NE ARG A 83 -6.376 -11.608 7.810 1.00 0.00 N ATOM 1235 CZ ARG A 83 -7.157 -12.508 7.223 1.00 0.00 C ATOM 1236 NH1 ARG A 83 -8.463 -12.298 7.130 1.00 0.00 N ATOM 1237 NH2 ARG A 83 -6.632 -13.621 6.728 1.00 0.00 N ATOM 0 H ARG A 83 -7.356 -5.564 8.417 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.899 -6.928 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.752 -7.716 8.566 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.471 -8.049 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.166 -9.729 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.486 -9.282 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.100 -9.916 9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.727 -10.567 9.024 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.376 -11.800 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.870 -11.444 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.060 -12.991 6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.628 -13.786 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.232 -14.312 6.277 1.00 0.00 H new ATOM 1251 N SER A 84 -8.885 -7.335 4.751 1.00 0.00 N ATOM 1252 CA SER A 84 -10.034 -7.568 3.885 1.00 0.00 C ATOM 1253 C SER A 84 -10.120 -9.036 3.479 1.00 0.00 C ATOM 1254 O SER A 84 -9.436 -9.478 2.555 1.00 0.00 O ATOM 1255 CB SER A 84 -9.947 -6.686 2.637 1.00 0.00 C ATOM 1256 OG SER A 84 -11.183 -6.658 1.945 1.00 0.00 O ATOM 0 H SER A 84 -7.986 -7.344 4.270 1.00 0.00 H new ATOM 0 HA SER A 84 -10.935 -7.310 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.664 -5.673 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.165 -7.061 1.976 1.00 0.00 H new ATOM 0 HG SER A 84 -11.102 -6.087 1.153 1.00 0.00 H new ATOM 1262 N PHE A 85 -10.965 -9.788 4.176 1.00 0.00 N ATOM 1263 CA PHE A 85 -11.140 -11.207 3.890 1.00 0.00 C ATOM 1264 C PHE A 85 -12.220 -11.420 2.833 1.00 0.00 C ATOM 1265 O PHE A 85 -12.857 -10.469 2.379 1.00 0.00 O ATOM 1266 CB PHE A 85 -11.506 -11.965 5.168 1.00 0.00 C ATOM 1267 CG PHE A 85 -12.979 -11.971 5.461 1.00 0.00 C ATOM 1268 CD1 PHE A 85 -13.616 -10.822 5.901 1.00 0.00 C ATOM 1269 CD2 PHE A 85 -13.727 -13.126 5.296 1.00 0.00 C ATOM 1270 CE1 PHE A 85 -14.971 -10.826 6.172 1.00 0.00 C ATOM 1271 CE2 PHE A 85 -15.082 -13.135 5.565 1.00 0.00 C ATOM 1272 CZ PHE A 85 -15.705 -11.983 6.002 1.00 0.00 C ATOM 0 H PHE A 85 -11.539 -9.438 4.943 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.197 -11.593 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.156 -12.994 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -10.978 -11.517 6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.047 -9.913 6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.245 -14.030 4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.456 -9.924 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.653 -14.042 5.434 1.00 0.00 H new ATOM 0 HZ PHE A 85 -16.765 -11.987 6.211 1.00 0.00 H new ATOM 1282 N THR A 86 -12.419 -12.675 2.444 1.00 0.00 N ATOM 1283 CA THR A 86 -13.419 -13.014 1.439 1.00 0.00 C ATOM 1284 C THR A 86 -13.549 -14.525 1.280 1.00 0.00 C ATOM 1285 O THR A 86 -12.678 -15.281 1.710 1.00 0.00 O ATOM 1286 CB THR A 86 -13.075 -12.393 0.072 1.00 0.00 C ATOM 1287 OG1 THR A 86 -14.155 -12.601 -0.846 1.00 0.00 O ATOM 1288 CG2 THR A 86 -11.799 -13.000 -0.492 1.00 0.00 C ATOM 0 H THR A 86 -11.901 -13.474 2.810 1.00 0.00 H new ATOM 0 HA THR A 86 -14.368 -12.605 1.787 1.00 0.00 H new ATOM 0 HB THR A 86 -12.919 -11.323 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.930 -12.202 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.576 -12.546 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.973 -12.815 0.195 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.932 -14.074 -0.618 1.00 0.00 H new ATOM 1296 N ARG A 87 -14.642 -14.958 0.660 1.00 0.00 N ATOM 1297 CA ARG A 87 -14.886 -16.379 0.445 1.00 0.00 C ATOM 1298 C ARG A 87 -13.614 -17.085 -0.016 1.00 0.00 C ATOM 1299 O ARG A 87 -12.698 -16.454 -0.543 1.00 0.00 O ATOM 1300 CB ARG A 87 -15.995 -16.577 -0.589 1.00 0.00 C ATOM 1301 CG ARG A 87 -17.395 -16.511 0.000 1.00 0.00 C ATOM 1302 CD ARG A 87 -17.894 -15.077 0.091 1.00 0.00 C ATOM 1303 NE ARG A 87 -17.985 -14.445 -1.222 1.00 0.00 N ATOM 1304 CZ ARG A 87 -18.991 -14.645 -2.066 1.00 0.00 C ATOM 1305 NH1 ARG A 87 -19.987 -15.455 -1.735 1.00 0.00 N ATOM 1306 NH2 ARG A 87 -19.003 -14.033 -3.243 1.00 0.00 N ATOM 0 H ARG A 87 -15.372 -14.345 0.298 1.00 0.00 H new ATOM 0 HA ARG A 87 -15.200 -16.816 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.899 -15.815 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -15.859 -17.543 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.078 -17.097 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -17.395 -16.961 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -18.874 -15.064 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -17.222 -14.499 0.726 1.00 0.00 H new ATOM 0 HE ARG A 87 -17.235 -13.815 -1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -19.982 -15.926 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -20.758 -15.607 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -18.239 -13.408 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -19.776 -14.187 -3.890 1.00 0.00 H new ATOM 1320 N ALA A 88 -13.565 -18.398 0.186 1.00 0.00 N ATOM 1321 CA ALA A 88 -12.407 -19.189 -0.210 1.00 0.00 C ATOM 1322 C ALA A 88 -12.748 -20.117 -1.372 1.00 0.00 C ATOM 1323 O ALA A 88 -13.891 -20.549 -1.519 1.00 0.00 O ATOM 1324 CB ALA A 88 -11.886 -19.991 0.973 1.00 0.00 C ATOM 0 H ALA A 88 -14.314 -18.936 0.622 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.627 -18.504 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.021 -20.577 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.595 -19.311 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.668 -20.660 1.332 1.00 0.00 H new ATOM 1330 N ARG A 89 -11.749 -20.418 -2.195 1.00 0.00 N ATOM 1331 CA ARG A 89 -11.943 -21.293 -3.345 1.00 0.00 C ATOM 1332 C ARG A 89 -11.494 -22.716 -3.027 1.00 0.00 C ATOM 1333 O ARG A 89 -10.345 -23.084 -3.274 1.00 0.00 O ATOM 1334 CB ARG A 89 -11.172 -20.761 -4.554 1.00 0.00 C ATOM 1335 CG ARG A 89 -11.304 -21.632 -5.792 1.00 0.00 C ATOM 1336 CD ARG A 89 -10.073 -21.529 -6.679 1.00 0.00 C ATOM 1337 NE ARG A 89 -9.875 -20.174 -7.186 1.00 0.00 N ATOM 1338 CZ ARG A 89 -10.586 -19.649 -8.178 1.00 0.00 C ATOM 1339 NH1 ARG A 89 -11.536 -20.362 -8.766 1.00 0.00 N ATOM 1340 NH2 ARG A 89 -10.347 -18.408 -8.583 1.00 0.00 N ATOM 0 H ARG A 89 -10.797 -20.069 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.007 -21.310 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.526 -19.757 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.118 -20.674 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.453 -22.670 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.187 -21.332 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.193 -21.837 -6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.172 -22.219 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.151 -19.599 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.723 -21.316 -8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.080 -19.957 -9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.617 -17.856 -8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.893 -18.006 -9.345 1.00 0.00 H new ATOM 1354 N SER A 90 -12.406 -23.511 -2.478 1.00 0.00 N ATOM 1355 CA SER A 90 -12.102 -24.892 -2.123 1.00 0.00 C ATOM 1356 C SER A 90 -11.612 -25.671 -3.340 1.00 0.00 C ATOM 1357 O SER A 90 -12.324 -25.803 -4.335 1.00 0.00 O ATOM 1358 CB SER A 90 -13.339 -25.573 -1.532 1.00 0.00 C ATOM 1359 OG SER A 90 -13.004 -26.821 -0.950 1.00 0.00 O ATOM 0 H SER A 90 -13.362 -23.223 -2.269 1.00 0.00 H new ATOM 0 HA SER A 90 -11.309 -24.883 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.789 -24.926 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.085 -25.721 -2.313 1.00 0.00 H new ATOM 0 HG SER A 90 -13.810 -27.235 -0.578 1.00 0.00 H new ATOM 1365 N GLY A 91 -10.389 -26.186 -3.252 1.00 0.00 N ATOM 1366 CA GLY A 91 -9.823 -26.945 -4.352 1.00 0.00 C ATOM 1367 C GLY A 91 -8.795 -27.957 -3.889 1.00 0.00 C ATOM 1368 O GLY A 91 -8.521 -28.095 -2.697 1.00 0.00 O ATOM 0 H GLY A 91 -9.781 -26.091 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.623 -27.461 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.360 -26.260 -5.062 1.00 0.00 H new ATOM 1372 N PRO A 92 -8.207 -28.690 -4.847 1.00 0.00 N ATOM 1373 CA PRO A 92 -7.195 -29.710 -4.554 1.00 0.00 C ATOM 1374 C PRO A 92 -5.881 -29.101 -4.077 1.00 0.00 C ATOM 1375 O PRO A 92 -5.042 -28.700 -4.884 1.00 0.00 O ATOM 1376 CB PRO A 92 -7.001 -30.413 -5.900 1.00 0.00 C ATOM 1377 CG PRO A 92 -7.392 -29.398 -6.918 1.00 0.00 C ATOM 1378 CD PRO A 92 -8.486 -28.580 -6.289 1.00 0.00 C ATOM 0 HA PRO A 92 -7.508 -30.377 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.967 -30.731 -6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.621 -31.306 -5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.543 -28.771 -7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.740 -29.877 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.458 -27.544 -6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.473 -28.969 -6.538 1.00 0.00 H new ATOM 1386 N SER A 93 -5.708 -29.036 -2.761 1.00 0.00 N ATOM 1387 CA SER A 93 -4.497 -28.473 -2.176 1.00 0.00 C ATOM 1388 C SER A 93 -3.253 -29.143 -2.753 1.00 0.00 C ATOM 1389 O SER A 93 -3.334 -30.213 -3.356 1.00 0.00 O ATOM 1390 CB SER A 93 -4.517 -28.634 -0.655 1.00 0.00 C ATOM 1391 OG SER A 93 -5.311 -27.630 -0.047 1.00 0.00 O ATOM 0 H SER A 93 -6.391 -29.366 -2.080 1.00 0.00 H new ATOM 0 HA SER A 93 -4.464 -27.411 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.907 -29.618 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.500 -28.582 -0.267 1.00 0.00 H new ATOM 0 HG SER A 93 -5.309 -27.756 0.925 1.00 0.00 H new ATOM 1397 N SER A 94 -2.103 -28.505 -2.563 1.00 0.00 N ATOM 1398 CA SER A 94 -0.842 -29.036 -3.067 1.00 0.00 C ATOM 1399 C SER A 94 -0.632 -30.473 -2.601 1.00 0.00 C ATOM 1400 O SER A 94 -0.368 -30.725 -1.426 1.00 0.00 O ATOM 1401 CB SER A 94 0.326 -28.162 -2.603 1.00 0.00 C ATOM 1402 OG SER A 94 1.412 -28.239 -3.509 1.00 0.00 O ATOM 0 H SER A 94 -2.018 -27.620 -2.064 1.00 0.00 H new ATOM 0 HA SER A 94 -0.883 -29.028 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.004 -27.127 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.651 -28.480 -1.613 1.00 0.00 H new ATOM 0 HG SER A 94 2.144 -27.671 -3.191 1.00 0.00 H new ATOM 1408 N GLY A 95 -0.753 -31.414 -3.532 1.00 0.00 N ATOM 1409 CA GLY A 95 -0.574 -32.815 -3.199 1.00 0.00 C ATOM 1410 C GLY A 95 0.545 -33.462 -3.991 1.00 0.00 C ATOM 1411 O GLY A 95 0.379 -34.555 -4.533 1.00 0.00 O ATOM 0 H GLY A 95 -0.972 -31.231 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.361 -32.908 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.504 -33.351 -3.386 1.00 0.00 H new TER 1415 GLY A 95