USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 77 CYS SG : rot 63:sc= -0.676 USER MOD Set 1.2: A 83 THR OG1 : rot -129:sc= 0.0265 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.708 K(o=-1.4,f=-4.1) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.724 X(o=-1.4,f=-1.3) USER MOD Set 3.1: A 30 SER OG : rot -81:sc= 2.23 USER MOD Set 3.2: A 32 THR OG1 : rot 33:sc= 1.42 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.11 USER MOD Single : A 3 SER OG : rot 170:sc= -0.0369 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 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.18) USER MOD Single : A 12 MET CE :methyl -178:sc= -0.117 (180deg=-0.122) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= 1.58 (180deg=-0.474) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot -149:sc= 0.451 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.31) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.991 K(o=-0.99,f=-3.2!) USER MOD Single : A 61 ASN : amide:sc= -0.368 K(o=-0.37,f=-4.5!) USER MOD Single : A 63 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.0016) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.14) USER MOD Single : A 81 SER OG : rot 3:sc= 0.674 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.011) USER MOD Single : A 91 SER OG : rot 54:sc= 0.293 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -50:sc= 0.0785 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.618 21.267 -4.463 1.00 0.00 N ATOM 2 CA GLY A 1 -13.693 20.486 -5.695 1.00 0.00 C ATOM 3 C GLY A 1 -13.686 19.020 -5.336 1.00 0.00 C ATOM 4 O GLY A 1 -12.676 18.515 -4.846 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.622 22.281 -4.694 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.437 21.046 -3.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.742 21.031 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.599 20.736 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.849 20.721 -6.344 1.00 0.00 H new ATOM 8 N SER A 2 -14.812 18.347 -5.545 1.00 0.00 N ATOM 9 CA SER A 2 -14.960 16.910 -5.438 1.00 0.00 C ATOM 10 C SER A 2 -14.044 16.250 -6.471 1.00 0.00 C ATOM 11 O SER A 2 -14.388 16.203 -7.659 1.00 0.00 O ATOM 12 CB SER A 2 -16.452 16.572 -5.629 1.00 0.00 C ATOM 13 OG SER A 2 -17.031 17.420 -6.618 1.00 0.00 O ATOM 0 H SER A 2 -15.681 18.813 -5.805 1.00 0.00 H new ATOM 0 HA SER A 2 -14.661 16.528 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.560 15.529 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.982 16.690 -4.684 1.00 0.00 H new ATOM 0 HG SER A 2 -17.978 17.193 -6.730 1.00 0.00 H new ATOM 19 N SER A 3 -12.856 15.809 -6.044 1.00 0.00 N ATOM 20 CA SER A 3 -11.959 15.044 -6.896 1.00 0.00 C ATOM 21 C SER A 3 -12.598 13.686 -7.203 1.00 0.00 C ATOM 22 O SER A 3 -13.416 13.185 -6.420 1.00 0.00 O ATOM 23 CB SER A 3 -10.595 14.910 -6.211 1.00 0.00 C ATOM 24 OG SER A 3 -9.592 14.554 -7.134 1.00 0.00 O ATOM 0 H SER A 3 -12.497 15.974 -5.104 1.00 0.00 H new ATOM 0 HA SER A 3 -11.795 15.555 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.332 15.853 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.653 14.157 -5.425 1.00 0.00 H new ATOM 0 HG SER A 3 -8.713 14.632 -6.708 1.00 0.00 H new ATOM 30 N GLY A 4 -12.218 13.089 -8.332 1.00 0.00 N ATOM 31 CA GLY A 4 -12.781 11.857 -8.856 1.00 0.00 C ATOM 32 C GLY A 4 -11.722 10.776 -8.793 1.00 0.00 C ATOM 33 O GLY A 4 -10.931 10.639 -9.730 1.00 0.00 O ATOM 0 H GLY A 4 -11.481 13.469 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.656 11.564 -8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.114 12.001 -9.884 1.00 0.00 H new ATOM 37 N SER A 5 -11.677 10.048 -7.683 1.00 0.00 N ATOM 38 CA SER A 5 -10.645 9.086 -7.326 1.00 0.00 C ATOM 39 C SER A 5 -9.357 9.816 -6.938 1.00 0.00 C ATOM 40 O SER A 5 -9.161 10.029 -5.737 1.00 0.00 O ATOM 41 CB SER A 5 -10.484 7.983 -8.390 1.00 0.00 C ATOM 42 OG SER A 5 -11.755 7.481 -8.772 1.00 0.00 O ATOM 0 H SER A 5 -12.402 10.119 -6.969 1.00 0.00 H new ATOM 0 HA SER A 5 -10.954 8.536 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.965 8.382 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.869 7.174 -7.996 1.00 0.00 H new ATOM 0 HG SER A 5 -11.641 6.782 -9.449 1.00 0.00 H new ATOM 48 N SER A 6 -8.546 10.242 -7.920 1.00 0.00 N ATOM 49 CA SER A 6 -7.184 10.774 -7.784 1.00 0.00 C ATOM 50 C SER A 6 -6.228 9.720 -7.197 1.00 0.00 C ATOM 51 O SER A 6 -6.651 8.833 -6.457 1.00 0.00 O ATOM 52 CB SER A 6 -7.236 12.097 -7.000 1.00 0.00 C ATOM 53 OG SER A 6 -5.960 12.660 -6.745 1.00 0.00 O ATOM 0 H SER A 6 -8.846 10.222 -8.895 1.00 0.00 H new ATOM 0 HA SER A 6 -6.766 11.004 -8.764 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.835 12.816 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.744 11.927 -6.051 1.00 0.00 H new ATOM 0 HG SER A 6 -6.066 13.497 -6.247 1.00 0.00 H new ATOM 59 N GLY A 7 -4.940 9.777 -7.548 1.00 0.00 N ATOM 60 CA GLY A 7 -3.934 8.814 -7.103 1.00 0.00 C ATOM 61 C GLY A 7 -3.668 7.728 -8.145 1.00 0.00 C ATOM 62 O GLY A 7 -3.575 6.553 -7.788 1.00 0.00 O ATOM 0 H GLY A 7 -4.564 10.504 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.004 9.339 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.265 8.350 -6.174 1.00 0.00 H new ATOM 66 N GLN A 8 -3.558 8.124 -9.413 1.00 0.00 N ATOM 67 CA GLN A 8 -3.223 7.312 -10.577 1.00 0.00 C ATOM 68 C GLN A 8 -1.980 6.455 -10.297 1.00 0.00 C ATOM 69 O GLN A 8 -0.954 6.971 -9.855 1.00 0.00 O ATOM 70 CB GLN A 8 -3.038 8.282 -11.762 1.00 0.00 C ATOM 71 CG GLN A 8 -2.664 7.642 -13.105 1.00 0.00 C ATOM 72 CD GLN A 8 -1.153 7.516 -13.298 1.00 0.00 C ATOM 73 OE1 GLN A 8 -0.445 8.518 -13.324 1.00 0.00 O ATOM 74 NE2 GLN A 8 -0.636 6.315 -13.498 1.00 0.00 N ATOM 0 H GLN A 8 -3.714 9.099 -9.670 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.014 6.602 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.964 8.842 -11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.264 9.003 -11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.118 6.653 -13.171 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.081 8.239 -13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.236 5.491 -13.474 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.363 6.213 -13.677 1.00 0.00 H new ATOM 83 N ALA A 9 -2.076 5.150 -10.541 1.00 0.00 N ATOM 84 CA ALA A 9 -0.997 4.175 -10.470 1.00 0.00 C ATOM 85 C ALA A 9 -1.350 2.979 -11.366 1.00 0.00 C ATOM 86 O ALA A 9 -2.477 2.881 -11.860 1.00 0.00 O ATOM 87 CB ALA A 9 -0.833 3.712 -9.015 1.00 0.00 C ATOM 0 H ALA A 9 -2.962 4.723 -10.809 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.062 4.619 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.026 2.981 -8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.594 4.569 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.762 3.256 -8.671 1.00 0.00 H new ATOM 93 N GLU A 10 -0.417 2.040 -11.527 1.00 0.00 N ATOM 94 CA GLU A 10 -0.611 0.750 -12.181 1.00 0.00 C ATOM 95 C GLU A 10 -0.419 -0.321 -11.111 1.00 0.00 C ATOM 96 O GLU A 10 0.707 -0.610 -10.700 1.00 0.00 O ATOM 97 CB GLU A 10 0.382 0.575 -13.344 1.00 0.00 C ATOM 98 CG GLU A 10 -0.077 1.275 -14.638 1.00 0.00 C ATOM 99 CD GLU A 10 -1.112 0.424 -15.381 1.00 0.00 C ATOM 100 OE1 GLU A 10 -2.260 0.288 -14.900 1.00 0.00 O ATOM 101 OE2 GLU A 10 -0.764 -0.142 -16.445 1.00 0.00 O ATOM 0 H GLU A 10 0.537 2.166 -11.189 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.608 0.674 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.353 0.971 -13.048 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.518 -0.488 -13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.505 2.248 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.783 1.455 -15.283 1.00 0.00 H new ATOM 108 N LEU A 11 -1.515 -0.852 -10.576 1.00 0.00 N ATOM 109 CA LEU A 11 -1.468 -1.893 -9.558 1.00 0.00 C ATOM 110 C LEU A 11 -0.895 -3.177 -10.182 1.00 0.00 C ATOM 111 O LEU A 11 -0.922 -3.338 -11.405 1.00 0.00 O ATOM 112 CB LEU A 11 -2.879 -2.161 -9.008 1.00 0.00 C ATOM 113 CG LEU A 11 -3.633 -1.054 -8.239 1.00 0.00 C ATOM 114 CD1 LEU A 11 -2.935 -0.630 -6.954 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.932 0.188 -9.075 1.00 0.00 C ATOM 0 H LEU A 11 -2.460 -0.571 -10.837 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.832 -1.568 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.505 -2.454 -9.851 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.810 -3.025 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.581 -1.528 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.518 0.150 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.845 -1.488 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.942 -0.248 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.463 0.918 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.997 0.622 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.550 -0.088 -9.929 1.00 0.00 H new ATOM 127 N MET A 12 -0.428 -4.121 -9.361 1.00 0.00 N ATOM 128 CA MET A 12 0.030 -5.431 -9.834 1.00 0.00 C ATOM 129 C MET A 12 -0.985 -6.489 -9.465 1.00 0.00 C ATOM 130 O MET A 12 -1.244 -6.758 -8.291 1.00 0.00 O ATOM 131 CB MET A 12 1.412 -5.827 -9.303 1.00 0.00 C ATOM 132 CG MET A 12 2.475 -5.021 -10.048 1.00 0.00 C ATOM 133 SD MET A 12 4.230 -5.460 -9.904 1.00 0.00 S ATOM 134 CE MET A 12 4.312 -6.136 -8.233 1.00 0.00 C ATOM 0 H MET A 12 -0.357 -4.000 -8.351 1.00 0.00 H new ATOM 0 HA MET A 12 0.127 -5.354 -10.917 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.474 -5.635 -8.232 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.579 -6.895 -9.445 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.221 -5.054 -11.107 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.375 -3.984 -9.729 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.341 -6.412 -8.002 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.968 -5.387 -7.520 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.676 -7.019 -8.166 1.00 0.00 H new ATOM 144 N THR A 13 -1.535 -7.114 -10.487 1.00 0.00 N ATOM 145 CA THR A 13 -2.328 -8.312 -10.330 1.00 0.00 C ATOM 146 C THR A 13 -1.375 -9.503 -10.284 1.00 0.00 C ATOM 147 O THR A 13 -0.331 -9.516 -10.951 1.00 0.00 O ATOM 148 CB THR A 13 -3.378 -8.377 -11.449 1.00 0.00 C ATOM 149 OG1 THR A 13 -4.061 -7.140 -11.469 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.407 -9.481 -11.216 1.00 0.00 C ATOM 0 H THR A 13 -1.443 -6.802 -11.454 1.00 0.00 H new ATOM 0 HA THR A 13 -2.893 -8.319 -9.398 1.00 0.00 H new ATOM 0 HB THR A 13 -2.865 -8.588 -12.388 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.738 -7.152 -12.177 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.127 -9.486 -12.034 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.902 -10.446 -11.172 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.928 -9.301 -10.276 1.00 0.00 H new ATOM 158 N LEU A 14 -1.720 -10.489 -9.461 1.00 0.00 N ATOM 159 CA LEU A 14 -1.061 -11.776 -9.310 1.00 0.00 C ATOM 160 C LEU A 14 -2.166 -12.797 -9.053 1.00 0.00 C ATOM 161 O LEU A 14 -3.305 -12.444 -8.729 1.00 0.00 O ATOM 162 CB LEU A 14 -0.075 -11.823 -8.128 1.00 0.00 C ATOM 163 CG LEU A 14 0.943 -10.676 -7.986 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.575 -10.824 -6.603 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.045 -10.671 -9.053 1.00 0.00 C ATOM 0 H LEU A 14 -2.524 -10.400 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.480 -11.977 -10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.659 -11.866 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.483 -12.757 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 14 0.413 -9.733 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.308 -10.031 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.800 -10.753 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.069 -11.793 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.717 -9.831 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.607 -11.603 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.594 -10.575 -10.041 1.00 0.00 H new ATOM 177 N THR A 15 -1.803 -14.070 -9.130 1.00 0.00 N ATOM 178 CA THR A 15 -2.700 -15.185 -8.917 1.00 0.00 C ATOM 179 C THR A 15 -2.091 -16.129 -7.872 1.00 0.00 C ATOM 180 O THR A 15 -0.867 -16.261 -7.799 1.00 0.00 O ATOM 181 CB THR A 15 -2.924 -15.838 -10.285 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.543 -14.948 -11.192 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.817 -17.051 -10.221 1.00 0.00 C ATOM 0 H THR A 15 -0.849 -14.358 -9.349 1.00 0.00 H new ATOM 0 HA THR A 15 -3.669 -14.884 -8.518 1.00 0.00 H new ATOM 0 HB THR A 15 -1.925 -16.122 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.670 -15.396 -12.055 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.937 -17.468 -11.221 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.368 -17.799 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.793 -16.764 -9.828 1.00 0.00 H new ATOM 191 N ILE A 16 -2.931 -16.801 -7.084 1.00 0.00 N ATOM 192 CA ILE A 16 -2.525 -17.735 -6.032 1.00 0.00 C ATOM 193 C ILE A 16 -3.431 -18.961 -6.006 1.00 0.00 C ATOM 194 O ILE A 16 -4.559 -18.874 -6.487 1.00 0.00 O ATOM 195 CB ILE A 16 -2.522 -17.036 -4.656 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.789 -16.257 -4.271 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.310 -16.102 -4.535 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.651 -15.626 -2.880 1.00 0.00 C ATOM 0 H ILE A 16 -3.944 -16.708 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.511 -18.069 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.476 -17.866 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.978 -15.478 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.649 -16.926 -4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.321 -15.616 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.393 -16.681 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.354 -15.345 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.563 -15.081 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.486 -16.409 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.805 -14.938 -2.875 1.00 0.00 H new ATOM 210 N VAL A 17 -2.971 -20.068 -5.406 1.00 0.00 N ATOM 211 CA VAL A 17 -3.751 -21.288 -5.233 1.00 0.00 C ATOM 212 C VAL A 17 -3.679 -21.709 -3.766 1.00 0.00 C ATOM 213 O VAL A 17 -2.633 -22.076 -3.222 1.00 0.00 O ATOM 214 CB VAL A 17 -3.322 -22.400 -6.210 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.124 -23.696 -5.983 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.556 -21.972 -7.667 1.00 0.00 C ATOM 0 H VAL A 17 -2.028 -20.135 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.794 -21.093 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.263 -22.577 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.794 -24.457 -6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.961 -24.051 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.185 -23.498 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.245 -22.774 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.615 -21.762 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.974 -21.075 -7.881 1.00 0.00 H new ATOM 226 N LYS A 18 -4.834 -21.638 -3.116 1.00 0.00 N ATOM 227 CA LYS A 18 -5.135 -22.183 -1.809 1.00 0.00 C ATOM 228 C LYS A 18 -4.943 -23.690 -1.855 1.00 0.00 C ATOM 229 O LYS A 18 -5.776 -24.404 -2.415 1.00 0.00 O ATOM 230 CB LYS A 18 -6.571 -21.791 -1.484 1.00 0.00 C ATOM 231 CG LYS A 18 -6.903 -21.709 -0.002 1.00 0.00 C ATOM 232 CD LYS A 18 -8.370 -21.291 0.082 1.00 0.00 C ATOM 233 CE LYS A 18 -8.765 -21.011 1.518 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.224 -21.025 1.688 1.00 0.00 N ATOM 0 H LYS A 18 -5.639 -21.162 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.477 -21.796 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.778 -20.823 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.242 -22.513 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.743 -22.670 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.262 -20.985 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.535 -20.402 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.002 -22.079 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.314 -21.757 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.372 -20.041 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.562 -20.058 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.671 -21.391 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.474 -21.636 2.492 1.00 0.00 H new ATOM 248 N GLY A 19 -3.829 -24.153 -1.308 1.00 0.00 N ATOM 249 CA GLY A 19 -3.444 -25.554 -1.334 1.00 0.00 C ATOM 250 C GLY A 19 -4.366 -26.362 -0.439 1.00 0.00 C ATOM 251 O GLY A 19 -5.095 -27.228 -0.922 1.00 0.00 O ATOM 0 H GLY A 19 -3.157 -23.555 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.490 -25.933 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.412 -25.662 -1.000 1.00 0.00 H new ATOM 255 N ALA A 20 -4.352 -26.049 0.858 1.00 0.00 N ATOM 256 CA ALA A 20 -5.184 -26.663 1.875 1.00 0.00 C ATOM 257 C ALA A 20 -5.309 -25.713 3.063 1.00 0.00 C ATOM 258 O ALA A 20 -6.413 -25.273 3.388 1.00 0.00 O ATOM 259 CB ALA A 20 -4.582 -28.010 2.287 1.00 0.00 C ATOM 0 H ALA A 20 -3.733 -25.331 1.236 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.184 -26.851 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.208 -28.470 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.529 -28.666 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.579 -27.854 2.685 1.00 0.00 H new ATOM 265 N GLN A 21 -4.187 -25.402 3.715 1.00 0.00 N ATOM 266 CA GLN A 21 -4.062 -24.628 4.950 1.00 0.00 C ATOM 267 C GLN A 21 -4.273 -23.121 4.708 1.00 0.00 C ATOM 268 O GLN A 21 -3.449 -22.290 5.092 1.00 0.00 O ATOM 269 CB GLN A 21 -2.675 -24.882 5.571 1.00 0.00 C ATOM 270 CG GLN A 21 -2.342 -26.354 5.874 1.00 0.00 C ATOM 271 CD GLN A 21 -0.955 -26.506 6.506 1.00 0.00 C ATOM 272 OE1 GLN A 21 -0.164 -25.564 6.577 1.00 0.00 O ATOM 273 NE2 GLN A 21 -0.621 -27.682 7.011 1.00 0.00 N ATOM 0 H GLN A 21 -3.277 -25.707 3.368 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.842 -24.955 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.916 -24.488 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.602 -24.313 6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.095 -26.766 6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.387 -26.934 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.272 -28.465 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.288 -27.806 7.457 1.00 0.00 H new ATOM 282 N GLY A 22 -5.373 -22.756 4.047 1.00 0.00 N ATOM 283 CA GLY A 22 -5.826 -21.391 3.823 1.00 0.00 C ATOM 284 C GLY A 22 -4.718 -20.447 3.367 1.00 0.00 C ATOM 285 O GLY A 22 -4.602 -19.343 3.902 1.00 0.00 O ATOM 0 H GLY A 22 -6.002 -23.445 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.617 -21.398 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.263 -21.006 4.744 1.00 0.00 H new ATOM 289 N PHE A 23 -3.944 -20.905 2.377 1.00 0.00 N ATOM 290 CA PHE A 23 -2.874 -20.250 1.627 1.00 0.00 C ATOM 291 C PHE A 23 -1.509 -20.320 2.314 1.00 0.00 C ATOM 292 O PHE A 23 -0.503 -19.996 1.680 1.00 0.00 O ATOM 293 CB PHE A 23 -3.192 -18.802 1.240 1.00 0.00 C ATOM 294 CG PHE A 23 -4.404 -18.593 0.366 1.00 0.00 C ATOM 295 CD1 PHE A 23 -4.256 -18.647 -1.030 1.00 0.00 C ATOM 296 CD2 PHE A 23 -5.659 -18.296 0.928 1.00 0.00 C ATOM 297 CE1 PHE A 23 -5.356 -18.384 -1.856 1.00 0.00 C ATOM 298 CE2 PHE A 23 -6.766 -18.078 0.093 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.609 -18.079 -1.299 1.00 0.00 C ATOM 0 H PHE A 23 -4.071 -21.861 2.045 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.813 -20.834 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.327 -18.225 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.325 -18.387 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.298 -18.890 -1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.771 -18.236 2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.240 -18.416 -2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.741 -17.909 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.446 -17.847 -1.940 1.00 0.00 H new ATOM 309 N GLY A 24 -1.423 -20.731 3.581 1.00 0.00 N ATOM 310 CA GLY A 24 -0.169 -20.776 4.323 1.00 0.00 C ATOM 311 C GLY A 24 0.304 -19.374 4.713 1.00 0.00 C ATOM 312 O GLY A 24 0.439 -19.096 5.899 1.00 0.00 O ATOM 0 H GLY A 24 -2.230 -21.043 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.298 -21.380 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.595 -21.264 3.718 1.00 0.00 H new ATOM 316 N PHE A 25 0.564 -18.482 3.746 1.00 0.00 N ATOM 317 CA PHE A 25 0.902 -17.079 3.985 1.00 0.00 C ATOM 318 C PHE A 25 -0.096 -16.450 4.943 1.00 0.00 C ATOM 319 O PHE A 25 -1.268 -16.837 5.004 1.00 0.00 O ATOM 320 CB PHE A 25 1.033 -16.230 2.699 1.00 0.00 C ATOM 321 CG PHE A 25 -0.224 -15.585 2.137 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.971 -16.271 1.174 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.590 -14.267 2.481 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.079 -15.672 0.546 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.695 -13.659 1.853 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.439 -14.360 0.888 1.00 0.00 C ATOM 0 H PHE A 25 0.544 -18.725 2.756 1.00 0.00 H new ATOM 0 HA PHE A 25 1.895 -17.084 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.756 -15.438 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.458 -16.865 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.692 -17.280 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.024 -13.725 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.647 -16.218 -0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.972 -12.648 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.286 -13.889 0.411 1.00 0.00 H new ATOM 336 N THR A 26 0.386 -15.464 5.680 1.00 0.00 N ATOM 337 CA THR A 26 -0.319 -14.842 6.772 1.00 0.00 C ATOM 338 C THR A 26 -0.363 -13.349 6.505 1.00 0.00 C ATOM 339 O THR A 26 0.459 -12.813 5.746 1.00 0.00 O ATOM 340 CB THR A 26 0.360 -15.188 8.107 1.00 0.00 C ATOM 341 OG1 THR A 26 1.576 -14.494 8.299 1.00 0.00 O ATOM 342 CG2 THR A 26 0.682 -16.667 8.272 1.00 0.00 C ATOM 0 H THR A 26 1.312 -15.065 5.524 1.00 0.00 H new ATOM 0 HA THR A 26 -1.341 -15.213 6.846 1.00 0.00 H new ATOM 0 HB THR A 26 -0.384 -14.887 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.965 -14.748 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.159 -16.830 9.238 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.239 -17.248 8.219 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.357 -16.983 7.476 1.00 0.00 H new ATOM 350 N ILE A 27 -1.306 -12.673 7.151 1.00 0.00 N ATOM 351 CA ILE A 27 -1.532 -11.258 6.915 1.00 0.00 C ATOM 352 C ILE A 27 -1.500 -10.485 8.229 1.00 0.00 C ATOM 353 O ILE A 27 -1.765 -11.049 9.298 1.00 0.00 O ATOM 354 CB ILE A 27 -2.779 -11.028 6.025 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.109 -11.455 6.687 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.584 -11.745 4.683 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.371 -10.952 5.958 1.00 0.00 C ATOM 0 H ILE A 27 -1.928 -13.088 7.845 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.713 -10.842 6.329 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.865 -9.952 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.143 -12.543 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.125 -11.087 7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.460 -11.585 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.701 -11.347 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.452 -12.813 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.259 -11.296 6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.365 -9.862 5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.383 -11.341 4.940 1.00 0.00 H new ATOM 369 N ALA A 28 -1.128 -9.209 8.153 1.00 0.00 N ATOM 370 CA ALA A 28 -1.139 -8.280 9.261 1.00 0.00 C ATOM 371 C ALA A 28 -1.834 -6.998 8.839 1.00 0.00 C ATOM 372 O ALA A 28 -1.594 -6.444 7.762 1.00 0.00 O ATOM 373 CB ALA A 28 0.272 -7.993 9.772 1.00 0.00 C ATOM 0 H ALA A 28 -0.801 -8.787 7.284 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.689 -8.733 10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.222 -7.291 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.733 -8.922 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.869 -7.561 8.969 1.00 0.00 H new ATOM 379 N ASP A 29 -2.663 -6.505 9.741 1.00 0.00 N ATOM 380 CA ASP A 29 -3.530 -5.355 9.566 1.00 0.00 C ATOM 381 C ASP A 29 -2.686 -4.082 9.546 1.00 0.00 C ATOM 382 O ASP A 29 -1.873 -3.868 10.450 1.00 0.00 O ATOM 383 CB ASP A 29 -4.519 -5.386 10.735 1.00 0.00 C ATOM 384 CG ASP A 29 -5.690 -4.423 10.590 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.909 -3.865 9.496 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.416 -4.250 11.597 1.00 0.00 O ATOM 0 H ASP A 29 -2.754 -6.921 10.668 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.076 -5.377 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.907 -6.399 10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.983 -5.153 11.655 1.00 0.00 H new ATOM 391 N SER A 30 -2.789 -3.264 8.499 1.00 0.00 N ATOM 392 CA SER A 30 -2.068 -1.997 8.373 1.00 0.00 C ATOM 393 C SER A 30 -3.108 -0.886 8.230 1.00 0.00 C ATOM 394 O SER A 30 -4.227 -1.152 7.786 1.00 0.00 O ATOM 395 CB SER A 30 -1.049 -2.056 7.210 1.00 0.00 C ATOM 396 OG SER A 30 -1.591 -1.640 5.968 1.00 0.00 O ATOM 0 H SER A 30 -3.388 -3.467 7.699 1.00 0.00 H new ATOM 0 HA SER A 30 -1.467 -1.790 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.193 -1.427 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.678 -3.076 7.113 1.00 0.00 H new ATOM 0 HG SER A 30 -2.099 -2.377 5.569 1.00 0.00 H new ATOM 402 N PRO A 31 -2.734 0.370 8.510 1.00 0.00 N ATOM 403 CA PRO A 31 -3.632 1.517 8.410 1.00 0.00 C ATOM 404 C PRO A 31 -4.193 1.681 6.994 1.00 0.00 C ATOM 405 O PRO A 31 -5.289 2.209 6.811 1.00 0.00 O ATOM 406 CB PRO A 31 -2.766 2.720 8.803 1.00 0.00 C ATOM 407 CG PRO A 31 -1.333 2.253 8.560 1.00 0.00 C ATOM 408 CD PRO A 31 -1.401 0.784 8.902 1.00 0.00 C ATOM 0 HA PRO A 31 -4.505 1.403 9.053 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.006 3.596 8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.922 2.998 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.024 2.415 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.621 2.784 9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.638 0.218 8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.233 0.618 9.966 1.00 0.00 H new ATOM 416 N THR A 32 -3.412 1.237 6.012 1.00 0.00 N ATOM 417 CA THR A 32 -3.556 1.450 4.584 1.00 0.00 C ATOM 418 C THR A 32 -4.222 0.283 3.855 1.00 0.00 C ATOM 419 O THR A 32 -4.425 0.379 2.646 1.00 0.00 O ATOM 420 CB THR A 32 -2.134 1.662 4.032 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.181 0.799 4.653 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.687 3.092 4.305 1.00 0.00 C ATOM 0 H THR A 32 -2.591 0.669 6.220 1.00 0.00 H new ATOM 0 HA THR A 32 -4.208 2.308 4.419 1.00 0.00 H new ATOM 0 HB THR A 32 -2.175 1.446 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.612 -0.050 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.680 3.240 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.371 3.786 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.689 3.275 5.380 1.00 0.00 H new ATOM 430 N GLY A 33 -4.497 -0.832 4.533 1.00 0.00 N ATOM 431 CA GLY A 33 -4.979 -2.049 3.900 1.00 0.00 C ATOM 432 C GLY A 33 -4.434 -3.279 4.612 1.00 0.00 C ATOM 433 O GLY A 33 -3.561 -3.170 5.479 1.00 0.00 O ATOM 0 H GLY A 33 -4.389 -0.911 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.069 -2.066 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.676 -2.065 2.853 1.00 0.00 H new ATOM 437 N GLN A 34 -4.885 -4.466 4.231 1.00 0.00 N ATOM 438 CA GLN A 34 -4.302 -5.699 4.744 1.00 0.00 C ATOM 439 C GLN A 34 -2.975 -5.960 4.048 1.00 0.00 C ATOM 440 O GLN A 34 -2.814 -5.640 2.863 1.00 0.00 O ATOM 441 CB GLN A 34 -5.277 -6.865 4.573 1.00 0.00 C ATOM 442 CG GLN A 34 -6.587 -6.639 5.345 1.00 0.00 C ATOM 443 CD GLN A 34 -6.381 -6.047 6.738 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.831 -6.720 7.601 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.772 -4.818 7.000 1.00 0.00 N ATOM 0 H GLN A 34 -5.650 -4.602 3.571 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.111 -5.597 5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.499 -7.000 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.806 -7.785 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.229 -5.974 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.113 -7.589 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.229 -4.263 6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.618 -4.420 7.926 1.00 0.00 H new ATOM 454 N ARG A 35 -2.019 -6.536 4.786 1.00 0.00 N ATOM 455 CA ARG A 35 -0.672 -6.736 4.276 1.00 0.00 C ATOM 456 C ARG A 35 -0.180 -8.143 4.446 1.00 0.00 C ATOM 457 O ARG A 35 -0.525 -8.798 5.421 1.00 0.00 O ATOM 458 CB ARG A 35 0.327 -5.775 4.939 1.00 0.00 C ATOM 459 CG ARG A 35 0.074 -4.319 4.551 1.00 0.00 C ATOM 460 CD ARG A 35 1.332 -3.502 4.857 1.00 0.00 C ATOM 461 NE ARG A 35 1.071 -2.055 4.945 1.00 0.00 N ATOM 462 CZ ARG A 35 1.983 -1.094 5.136 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.238 -1.415 5.422 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.626 0.185 5.057 1.00 0.00 N ATOM 0 H ARG A 35 -2.161 -6.870 5.739 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.734 -6.527 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.262 -5.877 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.341 -6.054 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.174 -4.248 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.777 -3.923 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.762 -3.846 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.075 -3.685 4.081 1.00 0.00 H new ATOM 0 HE ARG A 35 0.100 -1.756 4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.509 -2.395 5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.932 -0.681 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.658 0.433 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.320 0.918 5.202 1.00 0.00 H new ATOM 478 N VAL A 36 0.701 -8.575 3.551 1.00 0.00 N ATOM 479 CA VAL A 36 1.352 -9.874 3.660 1.00 0.00 C ATOM 480 C VAL A 36 2.399 -9.735 4.750 1.00 0.00 C ATOM 481 O VAL A 36 3.400 -9.036 4.569 1.00 0.00 O ATOM 482 CB VAL A 36 1.943 -10.278 2.301 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.759 -11.581 2.371 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.824 -10.465 1.278 1.00 0.00 C ATOM 0 H VAL A 36 0.983 -8.036 2.732 1.00 0.00 H new ATOM 0 HA VAL A 36 0.658 -10.671 3.927 1.00 0.00 H new ATOM 0 HB VAL A 36 2.613 -9.472 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.152 -11.818 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.586 -11.455 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.117 -12.394 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.253 -10.751 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.145 -11.247 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.274 -9.531 1.166 1.00 0.00 H new ATOM 494 N LYS A 37 2.140 -10.360 5.896 1.00 0.00 N ATOM 495 CA LYS A 37 3.086 -10.448 6.996 1.00 0.00 C ATOM 496 C LYS A 37 4.262 -11.305 6.552 1.00 0.00 C ATOM 497 O LYS A 37 5.387 -10.820 6.512 1.00 0.00 O ATOM 498 CB LYS A 37 2.363 -11.024 8.220 1.00 0.00 C ATOM 499 CG LYS A 37 3.323 -11.366 9.374 1.00 0.00 C ATOM 500 CD LYS A 37 2.545 -11.877 10.594 1.00 0.00 C ATOM 501 CE LYS A 37 3.359 -11.837 11.896 1.00 0.00 C ATOM 502 NZ LYS A 37 3.882 -13.159 12.296 1.00 0.00 N ATOM 0 H LYS A 37 1.252 -10.825 6.085 1.00 0.00 H new ATOM 0 HA LYS A 37 3.475 -9.469 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.623 -10.305 8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.821 -11.923 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.036 -12.123 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.899 -10.482 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.644 -11.277 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.222 -12.901 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.193 -11.145 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.733 -11.444 12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.421 -13.066 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.089 -13.816 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.504 -13.527 11.548 1.00 0.00 H new ATOM 516 N GLN A 38 3.987 -12.570 6.238 1.00 0.00 N ATOM 517 CA GLN A 38 4.973 -13.561 5.856 1.00 0.00 C ATOM 518 C GLN A 38 4.263 -14.608 5.013 1.00 0.00 C ATOM 519 O GLN A 38 3.133 -14.991 5.318 1.00 0.00 O ATOM 520 CB GLN A 38 5.575 -14.200 7.121 1.00 0.00 C ATOM 521 CG GLN A 38 6.540 -15.326 6.733 1.00 0.00 C ATOM 522 CD GLN A 38 7.382 -15.915 7.855 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.210 -15.621 9.036 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.286 -16.810 7.497 1.00 0.00 N ATOM 0 H GLN A 38 3.036 -12.939 6.245 1.00 0.00 H new ATOM 0 HA GLN A 38 5.785 -13.110 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.101 -13.444 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.779 -14.594 7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.961 -16.132 6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.213 -14.948 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.413 -17.040 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.856 -17.271 8.206 1.00 0.00 H new ATOM 533 N ILE A 39 4.962 -15.109 4.005 1.00 0.00 N ATOM 534 CA ILE A 39 4.618 -16.252 3.190 1.00 0.00 C ATOM 535 C ILE A 39 5.251 -17.465 3.868 1.00 0.00 C ATOM 536 O ILE A 39 6.441 -17.454 4.175 1.00 0.00 O ATOM 537 CB ILE A 39 5.116 -16.041 1.746 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.739 -14.639 1.205 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.528 -17.140 0.841 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.307 -14.357 -0.184 1.00 0.00 C ATOM 0 H ILE A 39 5.848 -14.693 3.719 1.00 0.00 H new ATOM 0 HA ILE A 39 3.541 -16.399 3.111 1.00 0.00 H new ATOM 0 HB ILE A 39 6.204 -16.104 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.653 -14.550 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.100 -13.880 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.877 -16.995 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.850 -18.118 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.440 -17.086 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.006 -13.359 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.395 -14.415 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.926 -15.095 -0.890 1.00 0.00 H new ATOM 552 N LEU A 40 4.444 -18.491 4.141 1.00 0.00 N ATOM 553 CA LEU A 40 4.901 -19.725 4.783 1.00 0.00 C ATOM 554 C LEU A 40 4.865 -20.895 3.807 1.00 0.00 C ATOM 555 O LEU A 40 5.523 -21.903 4.054 1.00 0.00 O ATOM 556 CB LEU A 40 4.027 -20.052 6.003 1.00 0.00 C ATOM 557 CG LEU A 40 3.973 -18.948 7.075 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.935 -19.347 8.120 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.323 -18.713 7.757 1.00 0.00 C ATOM 0 H LEU A 40 3.448 -18.489 3.921 1.00 0.00 H new ATOM 0 HA LEU A 40 5.930 -19.568 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.012 -20.256 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.399 -20.968 6.463 1.00 0.00 H new ATOM 0 HG LEU A 40 3.705 -18.013 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.880 -18.578 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.961 -19.453 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.222 -20.295 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.222 -17.924 8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.650 -19.632 8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.060 -18.415 7.011 1.00 0.00 H new ATOM 571 N ASP A 41 4.119 -20.755 2.706 1.00 0.00 N ATOM 572 CA ASP A 41 3.949 -21.764 1.671 1.00 0.00 C ATOM 573 C ASP A 41 4.114 -21.086 0.314 1.00 0.00 C ATOM 574 O ASP A 41 3.149 -20.719 -0.353 1.00 0.00 O ATOM 575 CB ASP A 41 2.591 -22.460 1.799 1.00 0.00 C ATOM 576 CG ASP A 41 2.538 -23.617 0.811 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.417 -24.506 0.902 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.606 -23.701 -0.018 1.00 0.00 O ATOM 0 H ASP A 41 3.599 -19.900 2.510 1.00 0.00 H new ATOM 0 HA ASP A 41 4.704 -22.543 1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.448 -22.825 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.785 -21.755 1.598 1.00 0.00 H new ATOM 583 N ILE A 42 5.365 -20.822 -0.045 1.00 0.00 N ATOM 584 CA ILE A 42 5.744 -19.992 -1.184 1.00 0.00 C ATOM 585 C ILE A 42 5.212 -20.575 -2.496 1.00 0.00 C ATOM 586 O ILE A 42 4.731 -19.825 -3.348 1.00 0.00 O ATOM 587 CB ILE A 42 7.276 -19.784 -1.141 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.579 -18.830 0.039 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.827 -19.214 -2.459 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.052 -18.709 0.432 1.00 0.00 C ATOM 0 H ILE A 42 6.169 -21.191 0.464 1.00 0.00 H new ATOM 0 HA ILE A 42 5.281 -19.007 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 42 7.769 -20.746 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.207 -17.838 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.016 -19.168 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.906 -19.087 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.604 -19.902 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.362 -18.249 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.150 -18.016 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.432 -19.688 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.626 -18.337 -0.417 1.00 0.00 H new ATOM 602 N GLN A 43 5.248 -21.897 -2.661 1.00 0.00 N ATOM 603 CA GLN A 43 4.719 -22.553 -3.850 1.00 0.00 C ATOM 604 C GLN A 43 3.185 -22.529 -3.934 1.00 0.00 C ATOM 605 O GLN A 43 2.638 -22.851 -4.989 1.00 0.00 O ATOM 606 CB GLN A 43 5.256 -23.994 -3.944 1.00 0.00 C ATOM 607 CG GLN A 43 6.084 -24.219 -5.221 1.00 0.00 C ATOM 608 CD GLN A 43 5.535 -25.393 -6.025 1.00 0.00 C ATOM 609 OE1 GLN A 43 5.703 -26.548 -5.643 1.00 0.00 O ATOM 610 NE2 GLN A 43 4.835 -25.121 -7.110 1.00 0.00 N ATOM 0 H GLN A 43 5.644 -22.539 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 43 5.070 -21.978 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.871 -24.209 -3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.421 -24.694 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.070 -23.316 -5.832 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.124 -24.409 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.710 -24.153 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.419 -25.879 -7.652 1.00 0.00 H new ATOM 619 N GLY A 44 2.480 -22.131 -2.874 1.00 0.00 N ATOM 620 CA GLY A 44 1.050 -21.865 -2.929 1.00 0.00 C ATOM 621 C GLY A 44 0.755 -20.442 -3.405 1.00 0.00 C ATOM 622 O GLY A 44 -0.383 -20.135 -3.769 1.00 0.00 O ATOM 0 H GLY A 44 2.890 -21.985 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.573 -22.579 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.614 -22.016 -1.941 1.00 0.00 H new ATOM 626 N CYS A 45 1.749 -19.544 -3.394 1.00 0.00 N ATOM 627 CA CYS A 45 1.564 -18.146 -3.761 1.00 0.00 C ATOM 628 C CYS A 45 2.642 -17.723 -4.769 1.00 0.00 C ATOM 629 O CYS A 45 3.547 -16.958 -4.423 1.00 0.00 O ATOM 630 CB CYS A 45 1.461 -17.263 -2.510 1.00 0.00 C ATOM 631 SG CYS A 45 0.174 -17.953 -1.439 1.00 0.00 S ATOM 0 H CYS A 45 2.706 -19.775 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 45 0.612 -18.010 -4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.416 -17.232 -1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.216 -16.238 -2.787 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.397 -16.993 -0.773 1.00 0.00 H new ATOM 637 N PRO A 46 2.571 -18.220 -6.019 1.00 0.00 N ATOM 638 CA PRO A 46 3.548 -17.932 -7.062 1.00 0.00 C ATOM 639 C PRO A 46 3.598 -16.429 -7.349 1.00 0.00 C ATOM 640 O PRO A 46 2.588 -15.819 -7.693 1.00 0.00 O ATOM 641 CB PRO A 46 3.113 -18.752 -8.283 1.00 0.00 C ATOM 642 CG PRO A 46 1.630 -19.024 -8.053 1.00 0.00 C ATOM 643 CD PRO A 46 1.519 -19.085 -6.537 1.00 0.00 C ATOM 0 HA PRO A 46 4.561 -18.206 -6.767 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.276 -18.201 -9.209 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.679 -19.680 -8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.006 -18.234 -8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.315 -19.958 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.538 -18.747 -6.204 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.643 -20.107 -6.178 1.00 0.00 H new ATOM 651 N GLY A 47 4.769 -15.816 -7.192 1.00 0.00 N ATOM 652 CA GLY A 47 4.992 -14.406 -7.491 1.00 0.00 C ATOM 653 C GLY A 47 4.640 -13.470 -6.335 1.00 0.00 C ATOM 654 O GLY A 47 4.977 -12.289 -6.404 1.00 0.00 O ATOM 0 H GLY A 47 5.602 -16.294 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.039 -14.261 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.399 -14.130 -8.363 1.00 0.00 H new ATOM 658 N LEU A 48 4.013 -13.962 -5.262 1.00 0.00 N ATOM 659 CA LEU A 48 3.709 -13.160 -4.080 1.00 0.00 C ATOM 660 C LEU A 48 5.011 -12.712 -3.407 1.00 0.00 C ATOM 661 O LEU A 48 5.976 -13.483 -3.382 1.00 0.00 O ATOM 662 CB LEU A 48 2.853 -14.009 -3.124 1.00 0.00 C ATOM 663 CG LEU A 48 2.291 -13.236 -1.916 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.283 -12.196 -2.394 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.581 -14.177 -0.934 1.00 0.00 C ATOM 0 H LEU A 48 3.702 -14.931 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 48 3.154 -12.264 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.022 -14.438 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.455 -14.841 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 48 3.130 -12.757 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.888 -11.651 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.774 -11.498 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.466 -12.694 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.196 -13.601 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.755 -14.676 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.287 -14.923 -0.570 1.00 0.00 H new ATOM 677 N CYS A 49 5.036 -11.505 -2.837 1.00 0.00 N ATOM 678 CA CYS A 49 6.129 -11.014 -2.009 1.00 0.00 C ATOM 679 C CYS A 49 5.591 -10.459 -0.687 1.00 0.00 C ATOM 680 O CYS A 49 4.409 -10.144 -0.524 1.00 0.00 O ATOM 681 CB CYS A 49 6.940 -9.948 -2.763 1.00 0.00 C ATOM 682 SG CYS A 49 7.954 -10.701 -4.070 1.00 0.00 S ATOM 0 H CYS A 49 4.278 -10.831 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 49 6.794 -11.847 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.263 -9.214 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.582 -9.413 -2.063 1.00 0.00 H new ATOM 0 HG CYS A 49 8.624 -9.774 -4.688 1.00 0.00 H new ATOM 688 N GLU A 50 6.499 -10.341 0.278 1.00 0.00 N ATOM 689 CA GLU A 50 6.257 -9.788 1.600 1.00 0.00 C ATOM 690 C GLU A 50 5.846 -8.323 1.439 1.00 0.00 C ATOM 691 O GLU A 50 6.461 -7.590 0.653 1.00 0.00 O ATOM 692 CB GLU A 50 7.533 -9.922 2.452 1.00 0.00 C ATOM 693 CG GLU A 50 7.945 -11.386 2.697 1.00 0.00 C ATOM 694 CD GLU A 50 9.460 -11.585 2.859 1.00 0.00 C ATOM 695 OE1 GLU A 50 10.190 -11.300 1.885 1.00 0.00 O ATOM 696 OE2 GLU A 50 9.888 -12.121 3.913 1.00 0.00 O ATOM 0 H GLU A 50 7.465 -10.643 0.150 1.00 0.00 H new ATOM 0 HA GLU A 50 5.458 -10.327 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.351 -9.399 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.375 -9.430 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.442 -11.750 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.595 -11.996 1.865 1.00 0.00 H new ATOM 703 N GLY A 51 4.819 -7.903 2.179 1.00 0.00 N ATOM 704 CA GLY A 51 4.314 -6.538 2.230 1.00 0.00 C ATOM 705 C GLY A 51 3.643 -6.047 0.945 1.00 0.00 C ATOM 706 O GLY A 51 3.363 -4.852 0.860 1.00 0.00 O ATOM 0 H GLY A 51 4.296 -8.536 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.597 -6.462 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.141 -5.869 2.468 1.00 0.00 H new ATOM 710 N ASP A 52 3.233 -6.926 0.022 1.00 0.00 N ATOM 711 CA ASP A 52 2.406 -6.573 -1.146 1.00 0.00 C ATOM 712 C ASP A 52 1.000 -6.103 -0.719 1.00 0.00 C ATOM 713 O ASP A 52 0.207 -6.926 -0.254 1.00 0.00 O ATOM 714 CB ASP A 52 2.305 -7.757 -2.128 1.00 0.00 C ATOM 715 CG ASP A 52 3.599 -8.127 -2.864 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.601 -7.392 -2.741 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.591 -9.137 -3.608 1.00 0.00 O ATOM 0 H ASP A 52 3.468 -7.918 0.063 1.00 0.00 H new ATOM 0 HA ASP A 52 2.897 -5.744 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.959 -8.632 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.541 -7.525 -2.870 1.00 0.00 H new ATOM 722 N LEU A 53 0.728 -4.785 -0.703 1.00 0.00 N ATOM 723 CA LEU A 53 -0.455 -4.134 -0.085 1.00 0.00 C ATOM 724 C LEU A 53 -1.735 -4.480 -0.848 1.00 0.00 C ATOM 725 O LEU A 53 -1.843 -4.091 -2.005 1.00 0.00 O ATOM 726 CB LEU A 53 -0.242 -2.603 -0.088 1.00 0.00 C ATOM 727 CG LEU A 53 -1.223 -1.709 0.708 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.604 -1.489 0.093 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.389 -2.137 2.168 1.00 0.00 C ATOM 0 H LEU A 53 1.353 -4.108 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.564 -4.497 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.762 -2.409 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.261 -2.270 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.713 -0.747 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.195 -0.847 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.497 -1.014 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.107 -2.449 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.090 -1.467 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.772 -3.157 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.424 -2.092 2.672 1.00 0.00 H new ATOM 741 N ILE A 54 -2.680 -5.208 -0.253 1.00 0.00 N ATOM 742 CA ILE A 54 -3.813 -5.788 -0.983 1.00 0.00 C ATOM 743 C ILE A 54 -4.882 -4.719 -1.257 1.00 0.00 C ATOM 744 O ILE A 54 -5.274 -3.975 -0.356 1.00 0.00 O ATOM 745 CB ILE A 54 -4.366 -7.013 -0.212 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.241 -8.059 -0.026 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.549 -7.661 -0.961 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.604 -9.230 0.883 1.00 0.00 C ATOM 0 H ILE A 54 -2.684 -5.413 0.746 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.479 -6.146 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.723 -6.669 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.961 -8.449 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.362 -7.559 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.914 -8.517 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.351 -6.932 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.219 -7.992 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.756 -9.911 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.854 -8.856 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.462 -9.760 0.469 1.00 0.00 H new ATOM 760 N VAL A 55 -5.392 -4.680 -2.491 1.00 0.00 N ATOM 761 CA VAL A 55 -6.372 -3.706 -2.968 1.00 0.00 C ATOM 762 C VAL A 55 -7.644 -4.420 -3.417 1.00 0.00 C ATOM 763 O VAL A 55 -8.741 -4.070 -2.970 1.00 0.00 O ATOM 764 CB VAL A 55 -5.734 -2.831 -4.071 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.741 -1.891 -4.751 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.593 -1.988 -3.474 1.00 0.00 C ATOM 0 H VAL A 55 -5.123 -5.351 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.667 -3.034 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.357 -3.516 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.232 -1.304 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.533 -2.480 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.173 -1.222 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.147 -1.373 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.989 -1.345 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.834 -2.648 -3.054 1.00 0.00 H new ATOM 776 N GLU A 56 -7.507 -5.453 -4.244 1.00 0.00 N ATOM 777 CA GLU A 56 -8.622 -6.274 -4.692 1.00 0.00 C ATOM 778 C GLU A 56 -8.329 -7.734 -4.396 1.00 0.00 C ATOM 779 O GLU A 56 -7.195 -8.198 -4.506 1.00 0.00 O ATOM 780 CB GLU A 56 -8.912 -6.078 -6.183 1.00 0.00 C ATOM 781 CG GLU A 56 -9.671 -4.786 -6.480 1.00 0.00 C ATOM 782 CD GLU A 56 -9.945 -4.615 -7.981 1.00 0.00 C ATOM 783 OE1 GLU A 56 -9.980 -5.626 -8.719 1.00 0.00 O ATOM 784 OE2 GLU A 56 -10.122 -3.456 -8.408 1.00 0.00 O ATOM 0 H GLU A 56 -6.607 -5.745 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.513 -5.962 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.971 -6.074 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.492 -6.925 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.616 -4.787 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.095 -3.935 -6.117 1.00 0.00 H new ATOM 791 N ILE A 57 -9.395 -8.463 -4.080 1.00 0.00 N ATOM 792 CA ILE A 57 -9.514 -9.894 -4.277 1.00 0.00 C ATOM 793 C ILE A 57 -10.733 -10.004 -5.183 1.00 0.00 C ATOM 794 O ILE A 57 -11.718 -9.300 -4.925 1.00 0.00 O ATOM 795 CB ILE A 57 -9.707 -10.651 -2.953 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.513 -10.407 -2.013 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.856 -12.160 -3.246 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.814 -10.774 -0.569 1.00 0.00 C ATOM 0 H ILE A 57 -10.230 -8.051 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.617 -10.343 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.608 -10.286 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.659 -10.988 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.226 -9.357 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.993 -12.701 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.721 -12.322 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.959 -12.524 -3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.935 -10.581 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.649 -10.174 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.074 -11.831 -0.509 1.00 0.00 H new ATOM 810 N ASN A 58 -10.634 -10.846 -6.216 1.00 0.00 N ATOM 811 CA ASN A 58 -11.674 -11.199 -7.185 1.00 0.00 C ATOM 812 C ASN A 58 -12.658 -10.041 -7.476 1.00 0.00 C ATOM 813 O ASN A 58 -13.868 -10.165 -7.279 1.00 0.00 O ATOM 814 CB ASN A 58 -12.377 -12.510 -6.786 1.00 0.00 C ATOM 815 CG ASN A 58 -11.675 -13.737 -7.351 1.00 0.00 C ATOM 816 OD1 ASN A 58 -11.428 -13.820 -8.549 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.367 -14.740 -6.550 1.00 0.00 N ATOM 0 H ASN A 58 -9.760 -11.334 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.177 -11.379 -8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.414 -12.584 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.408 -12.489 -7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.926 -15.578 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.570 -14.677 -5.552 1.00 0.00 H new ATOM 824 N GLN A 59 -12.114 -8.886 -7.868 1.00 0.00 N ATOM 825 CA GLN A 59 -12.729 -7.578 -8.102 1.00 0.00 C ATOM 826 C GLN A 59 -13.684 -7.010 -7.044 1.00 0.00 C ATOM 827 O GLN A 59 -14.222 -5.924 -7.265 1.00 0.00 O ATOM 828 CB GLN A 59 -13.327 -7.482 -9.522 1.00 0.00 C ATOM 829 CG GLN A 59 -12.555 -6.442 -10.336 1.00 0.00 C ATOM 830 CD GLN A 59 -13.205 -6.105 -11.670 1.00 0.00 C ATOM 831 OE1 GLN A 59 -13.570 -6.987 -12.443 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.404 -4.832 -11.965 1.00 0.00 N ATOM 0 H GLN A 59 -11.111 -8.841 -8.051 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.874 -6.910 -8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.278 -8.453 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.380 -7.206 -9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.460 -5.530 -9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.545 -6.811 -10.517 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.098 -4.105 -11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.863 -4.577 -12.839 1.00 0.00 H new ATOM 841 N GLN A 60 -13.888 -7.647 -5.885 1.00 0.00 N ATOM 842 CA GLN A 60 -14.866 -7.142 -4.915 1.00 0.00 C ATOM 843 C GLN A 60 -14.476 -5.795 -4.321 1.00 0.00 C ATOM 844 O GLN A 60 -15.319 -4.967 -3.998 1.00 0.00 O ATOM 845 CB GLN A 60 -15.254 -8.216 -3.882 1.00 0.00 C ATOM 846 CG GLN A 60 -15.110 -7.782 -2.415 1.00 0.00 C ATOM 847 CD GLN A 60 -15.671 -8.747 -1.384 1.00 0.00 C ATOM 848 OE1 GLN A 60 -15.886 -8.352 -0.248 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.890 -10.010 -1.708 1.00 0.00 N ATOM 0 H GLN A 60 -13.400 -8.496 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.784 -6.927 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -16.288 -8.513 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.636 -9.099 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.052 -7.628 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.604 -6.818 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.708 -10.332 -2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.241 -10.663 -1.007 1.00 0.00 H new ATOM 858 N ASN A 61 -13.178 -5.579 -4.324 1.00 0.00 N ATOM 859 CA ASN A 61 -12.397 -4.517 -3.700 1.00 0.00 C ATOM 860 C ASN A 61 -12.465 -4.599 -2.177 1.00 0.00 C ATOM 861 O ASN A 61 -13.532 -4.671 -1.576 1.00 0.00 O ATOM 862 CB ASN A 61 -12.808 -3.149 -4.242 1.00 0.00 C ATOM 863 CG ASN A 61 -11.906 -2.049 -3.709 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.850 -1.811 -2.502 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.195 -1.370 -4.589 1.00 0.00 N ATOM 0 H ASN A 61 -12.564 -6.221 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.349 -4.657 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.767 -3.160 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.841 -2.941 -3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.576 -0.622 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.265 -1.593 -5.582 1.00 0.00 H new ATOM 872 N VAL A 62 -11.289 -4.631 -1.559 1.00 0.00 N ATOM 873 CA VAL A 62 -11.043 -5.028 -0.184 1.00 0.00 C ATOM 874 C VAL A 62 -10.085 -4.000 0.459 1.00 0.00 C ATOM 875 O VAL A 62 -9.384 -4.312 1.421 1.00 0.00 O ATOM 876 CB VAL A 62 -10.478 -6.470 -0.223 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.335 -7.481 -1.015 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.083 -6.559 -0.865 1.00 0.00 C ATOM 0 H VAL A 62 -10.430 -4.363 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.944 -5.037 0.430 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.463 -6.725 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.860 -8.462 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.327 -7.545 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.423 -7.151 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.746 -7.596 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.131 -6.198 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.382 -5.947 -0.298 1.00 0.00 H new ATOM 888 N GLN A 63 -9.965 -2.777 -0.076 1.00 0.00 N ATOM 889 CA GLN A 63 -9.198 -1.716 0.549 1.00 0.00 C ATOM 890 C GLN A 63 -9.767 -1.311 1.908 1.00 0.00 C ATOM 891 O GLN A 63 -9.054 -1.398 2.907 1.00 0.00 O ATOM 892 CB GLN A 63 -9.149 -0.536 -0.421 1.00 0.00 C ATOM 893 CG GLN A 63 -7.846 -0.512 -1.189 1.00 0.00 C ATOM 894 CD GLN A 63 -6.740 0.237 -0.452 1.00 0.00 C ATOM 895 OE1 GLN A 63 -6.251 1.260 -0.918 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.318 -0.247 0.704 1.00 0.00 N ATOM 0 H GLN A 63 -10.402 -2.506 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.188 -2.071 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.984 -0.601 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.266 0.397 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.522 -1.535 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.010 -0.045 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.732 -1.099 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.578 0.232 1.218 1.00 0.00 H new ATOM 905 N ASN A 64 -11.022 -0.853 1.938 1.00 0.00 N ATOM 906 CA ASN A 64 -11.677 -0.385 3.166 1.00 0.00 C ATOM 907 C ASN A 64 -12.125 -1.551 4.051 1.00 0.00 C ATOM 908 O ASN A 64 -12.549 -1.351 5.191 1.00 0.00 O ATOM 909 CB ASN A 64 -12.917 0.460 2.839 1.00 0.00 C ATOM 910 CG ASN A 64 -12.642 1.793 2.157 1.00 0.00 C ATOM 911 OD1 ASN A 64 -11.501 2.188 1.935 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.695 2.488 1.769 1.00 0.00 N ATOM 0 H ASN A 64 -11.615 -0.796 1.110 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.938 0.214 3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.576 -0.126 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.459 0.651 3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.569 3.371 1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.635 2.142 1.964 1.00 0.00 H new ATOM 919 N LEU A 65 -12.103 -2.769 3.510 1.00 0.00 N ATOM 920 CA LEU A 65 -12.420 -4.005 4.184 1.00 0.00 C ATOM 921 C LEU A 65 -11.540 -4.184 5.394 1.00 0.00 C ATOM 922 O LEU A 65 -10.322 -4.051 5.318 1.00 0.00 O ATOM 923 CB LEU A 65 -12.221 -5.159 3.193 1.00 0.00 C ATOM 924 CG LEU A 65 -13.518 -5.433 2.442 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.283 -4.245 1.876 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.573 -6.656 1.548 1.00 0.00 C ATOM 0 H LEU A 65 -11.848 -2.916 2.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.454 -3.989 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.429 -4.910 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.904 -6.055 3.726 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.101 -5.720 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.182 -4.598 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.563 -3.573 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.652 -3.712 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.556 -6.721 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.808 -6.577 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.395 -7.551 2.144 1.00 0.00 H new ATOM 938 N SER A 66 -12.178 -4.513 6.505 1.00 0.00 N ATOM 939 CA SER A 66 -11.477 -4.844 7.734 1.00 0.00 C ATOM 940 C SER A 66 -10.631 -6.101 7.488 1.00 0.00 C ATOM 941 O SER A 66 -10.963 -6.893 6.601 1.00 0.00 O ATOM 942 CB SER A 66 -12.490 -5.075 8.869 1.00 0.00 C ATOM 943 OG SER A 66 -13.763 -4.492 8.619 1.00 0.00 O ATOM 0 H SER A 66 -13.194 -4.558 6.580 1.00 0.00 H new ATOM 0 HA SER A 66 -10.824 -4.023 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.614 -6.147 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.087 -4.665 9.795 1.00 0.00 H new ATOM 0 HG SER A 66 -14.360 -4.675 9.374 1.00 0.00 H new ATOM 949 N HIS A 67 -9.616 -6.352 8.320 1.00 0.00 N ATOM 950 CA HIS A 67 -8.855 -7.606 8.325 1.00 0.00 C ATOM 951 C HIS A 67 -9.789 -8.796 8.200 1.00 0.00 C ATOM 952 O HIS A 67 -9.610 -9.639 7.325 1.00 0.00 O ATOM 953 CB HIS A 67 -8.031 -7.700 9.621 1.00 0.00 C ATOM 954 CG HIS A 67 -7.276 -8.995 9.802 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.940 -9.167 9.527 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.763 -10.183 10.292 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.617 -10.432 9.829 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.684 -11.085 10.320 1.00 0.00 N ATOM 0 H HIS A 67 -9.295 -5.681 9.018 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.179 -7.617 7.470 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.319 -6.875 9.642 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.700 -7.565 10.471 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.307 -8.457 9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.779 -10.385 10.597 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.637 -10.866 9.696 1.00 0.00 H new ATOM 966 N THR A 68 -10.809 -8.824 9.048 1.00 0.00 N ATOM 967 CA THR A 68 -11.743 -9.920 9.145 1.00 0.00 C ATOM 968 C THR A 68 -12.491 -10.158 7.824 1.00 0.00 C ATOM 969 O THR A 68 -12.769 -11.302 7.486 1.00 0.00 O ATOM 970 CB THR A 68 -12.670 -9.616 10.329 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.893 -9.320 11.485 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.517 -10.837 10.640 1.00 0.00 C ATOM 0 H THR A 68 -11.008 -8.064 9.699 1.00 0.00 H new ATOM 0 HA THR A 68 -11.223 -10.861 9.327 1.00 0.00 H new ATOM 0 HB THR A 68 -13.302 -8.767 10.067 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.489 -9.125 12.238 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.175 -10.619 11.481 1.00 0.00 H new ATOM 0 HG22 THR A 68 -14.117 -11.095 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.868 -11.675 10.895 1.00 0.00 H new ATOM 980 N GLU A 69 -12.766 -9.118 7.038 1.00 0.00 N ATOM 981 CA GLU A 69 -13.467 -9.225 5.765 1.00 0.00 C ATOM 982 C GLU A 69 -12.529 -9.866 4.744 1.00 0.00 C ATOM 983 O GLU A 69 -12.912 -10.795 4.039 1.00 0.00 O ATOM 984 CB GLU A 69 -13.943 -7.817 5.336 1.00 0.00 C ATOM 985 CG GLU A 69 -14.822 -7.157 6.409 1.00 0.00 C ATOM 986 CD GLU A 69 -15.966 -8.062 6.863 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.878 -8.360 6.058 1.00 0.00 O ATOM 988 OE2 GLU A 69 -15.934 -8.503 8.032 1.00 0.00 O ATOM 0 H GLU A 69 -12.502 -8.162 7.275 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.351 -9.858 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.077 -7.186 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.503 -7.892 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.206 -6.896 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.232 -6.227 6.017 1.00 0.00 H new ATOM 995 N VAL A 70 -11.273 -9.418 4.692 1.00 0.00 N ATOM 996 CA VAL A 70 -10.274 -9.938 3.769 1.00 0.00 C ATOM 997 C VAL A 70 -9.978 -11.416 4.079 1.00 0.00 C ATOM 998 O VAL A 70 -9.813 -12.227 3.165 1.00 0.00 O ATOM 999 CB VAL A 70 -9.042 -9.019 3.852 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -7.957 -9.411 2.857 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.416 -7.552 3.566 1.00 0.00 C ATOM 0 H VAL A 70 -10.922 -8.676 5.298 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.629 -9.931 2.739 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.665 -9.130 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.110 -8.732 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.630 -10.431 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.354 -9.351 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.524 -6.929 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.840 -7.473 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.150 -7.214 4.298 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.942 -11.781 5.359 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.831 -13.154 5.835 1.00 0.00 C ATOM 1013 C VAL A 71 -11.024 -13.963 5.352 1.00 0.00 C ATOM 1014 O VAL A 71 -10.846 -15.036 4.782 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.763 -13.103 7.375 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -10.042 -14.419 8.102 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.381 -12.613 7.781 1.00 0.00 C ATOM 0 H VAL A 71 -9.991 -11.102 6.119 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.936 -13.640 5.447 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.566 -12.430 7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.967 -14.263 9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.045 -14.766 7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.313 -15.168 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.315 -12.571 8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.625 -13.298 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.212 -11.618 7.368 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.226 -13.460 5.601 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.487 -14.161 5.358 1.00 0.00 C ATOM 1029 C ASP A 72 -13.639 -14.458 3.868 1.00 0.00 C ATOM 1030 O ASP A 72 -14.035 -15.555 3.474 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.649 -13.312 5.891 1.00 0.00 C ATOM 1032 CG ASP A 72 -14.941 -13.504 7.382 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -14.293 -14.332 8.071 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.870 -12.829 7.886 1.00 0.00 O ATOM 0 H ASP A 72 -12.358 -12.526 5.989 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.493 -15.115 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.428 -12.260 5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.548 -13.551 5.323 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.247 -13.517 3.015 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.114 -13.706 1.579 1.00 0.00 C ATOM 1041 C ILE A 73 -12.155 -14.857 1.287 1.00 0.00 C ATOM 1042 O ILE A 73 -12.524 -15.793 0.581 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.649 -12.373 0.972 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -13.833 -11.391 1.026 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.117 -12.511 -0.460 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.354 -9.950 0.962 1.00 0.00 C ATOM 0 H ILE A 73 -13.006 -12.573 3.316 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.066 -13.982 1.124 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.807 -12.002 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.511 -11.589 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.398 -11.549 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.806 -11.533 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.264 -13.190 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.902 -12.908 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.212 -9.279 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.695 -9.748 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.810 -9.788 0.031 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.926 -14.808 1.808 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.937 -15.845 1.527 1.00 0.00 C ATOM 1060 C LEU A 74 -10.366 -17.203 2.095 1.00 0.00 C ATOM 1061 O LEU A 74 -9.924 -18.244 1.610 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.552 -15.425 2.038 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.921 -14.265 1.244 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.652 -13.805 1.964 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.543 -14.620 -0.200 1.00 0.00 C ATOM 0 H LEU A 74 -10.596 -14.064 2.423 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.871 -15.963 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.635 -15.134 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.884 -16.286 1.998 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.681 -13.485 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.197 -12.984 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.906 -13.468 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.948 -14.635 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.106 -13.748 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.819 -15.435 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.435 -14.930 -0.744 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.249 -17.242 3.090 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.880 -18.471 3.559 1.00 0.00 C ATOM 1079 C LYS A 75 -12.872 -18.985 2.519 1.00 0.00 C ATOM 1080 O LYS A 75 -12.898 -20.192 2.278 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.522 -18.215 4.930 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.439 -18.148 6.022 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.809 -17.227 7.181 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.122 -17.596 7.862 1.00 0.00 C ATOM 1085 NZ LYS A 75 -13.374 -16.723 9.020 1.00 0.00 N ATOM 0 H LYS A 75 -11.549 -16.410 3.599 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.136 -19.258 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.084 -17.281 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.232 -19.009 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.258 -19.151 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.505 -17.804 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.008 -17.248 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.876 -16.203 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.943 -17.509 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.089 -18.636 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.922 -17.244 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.468 -16.421 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.911 -15.887 8.714 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.648 -18.104 1.885 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.600 -18.463 0.830 1.00 0.00 C ATOM 1101 C ASP A 76 -13.925 -18.798 -0.508 1.00 0.00 C ATOM 1102 O ASP A 76 -14.492 -19.540 -1.307 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.644 -17.342 0.671 1.00 0.00 C ATOM 1104 CG ASP A 76 -17.017 -17.842 0.207 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.172 -19.015 -0.193 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -18.008 -17.083 0.314 1.00 0.00 O ATOM 0 H ASP A 76 -13.633 -17.105 2.093 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.100 -19.381 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.758 -16.826 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.272 -16.610 -0.046 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.691 -18.335 -0.745 1.00 0.00 N ATOM 1112 CA CYS A 77 -11.865 -18.790 -1.861 1.00 0.00 C ATOM 1113 C CYS A 77 -11.730 -20.319 -1.804 1.00 0.00 C ATOM 1114 O CYS A 77 -11.354 -20.860 -0.759 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.469 -18.176 -1.791 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.505 -16.395 -2.140 1.00 0.00 S ATOM 0 H CYS A 77 -12.239 -17.630 -0.162 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.344 -18.481 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.046 -18.345 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.815 -18.675 -2.507 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.216 -15.790 -1.236 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.006 -21.019 -2.908 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.904 -22.459 -2.993 1.00 0.00 C ATOM 1124 C PRO A 78 -10.485 -22.935 -2.755 1.00 0.00 C ATOM 1125 O PRO A 78 -9.510 -22.362 -3.244 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.370 -22.860 -4.387 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.994 -21.596 -4.967 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.421 -20.452 -4.166 1.00 0.00 C ATOM 0 HA PRO A 78 -12.521 -22.920 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.537 -23.206 -4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.093 -23.674 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.755 -21.491 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.081 -21.624 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.579 -19.995 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.165 -19.670 -4.015 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.401 -24.037 -2.027 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.212 -24.845 -1.902 1.00 0.00 C ATOM 1138 C ILE A 79 -9.056 -25.576 -3.235 1.00 0.00 C ATOM 1139 O ILE A 79 -9.914 -26.378 -3.601 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.381 -25.750 -0.673 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.343 -24.872 0.597 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.256 -26.794 -0.621 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.605 -25.643 1.887 1.00 0.00 C ATOM 0 H ILE A 79 -11.189 -24.401 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.294 -24.285 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.334 -26.275 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.368 -24.390 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.085 -24.079 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.389 -27.428 0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.287 -27.408 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.293 -26.288 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.562 -24.959 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.592 -26.103 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.848 -26.418 2.008 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.964 -25.310 -3.947 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.704 -25.861 -5.267 1.00 0.00 C ATOM 1157 C GLY A 80 -8.440 -25.064 -6.340 1.00 0.00 C ATOM 1158 O GLY A 80 -9.155 -25.631 -7.166 1.00 0.00 O ATOM 0 H GLY A 80 -7.223 -24.693 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.633 -25.847 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.021 -26.903 -5.300 1.00 0.00 H new ATOM 1162 N SER A 81 -8.320 -23.737 -6.334 1.00 0.00 N ATOM 1163 CA SER A 81 -8.615 -22.904 -7.487 1.00 0.00 C ATOM 1164 C SER A 81 -7.659 -21.729 -7.494 1.00 0.00 C ATOM 1165 O SER A 81 -7.180 -21.325 -6.432 1.00 0.00 O ATOM 1166 CB SER A 81 -10.063 -22.419 -7.415 1.00 0.00 C ATOM 1167 OG SER A 81 -10.921 -23.543 -7.473 1.00 0.00 O ATOM 0 H SER A 81 -8.012 -23.210 -5.517 1.00 0.00 H new ATOM 0 HA SER A 81 -8.491 -23.475 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.230 -21.863 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.275 -21.739 -8.240 1.00 0.00 H new ATOM 0 HG SER A 81 -10.385 -24.363 -7.503 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.416 -21.146 -8.664 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.727 -19.872 -8.746 1.00 0.00 C ATOM 1175 C GLU A 82 -7.643 -18.773 -8.210 1.00 0.00 C ATOM 1176 O GLU A 82 -8.779 -18.622 -8.661 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.337 -19.540 -10.188 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.916 -19.981 -10.566 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.682 -21.451 -10.860 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.654 -22.224 -10.998 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.488 -21.783 -11.061 1.00 0.00 O ATOM 0 H GLU A 82 -7.688 -21.539 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.816 -19.937 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.047 -20.016 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.425 -18.464 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.612 -19.412 -11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.249 -19.693 -9.753 1.00 0.00 H new ATOM 1188 N THR A 83 -7.119 -17.972 -7.294 1.00 0.00 N ATOM 1189 CA THR A 83 -7.682 -16.703 -6.859 1.00 0.00 C ATOM 1190 C THR A 83 -6.890 -15.592 -7.546 1.00 0.00 C ATOM 1191 O THR A 83 -5.667 -15.698 -7.663 1.00 0.00 O ATOM 1192 CB THR A 83 -7.576 -16.596 -5.328 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.222 -17.709 -4.733 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.272 -15.334 -4.792 1.00 0.00 C ATOM 0 H THR A 83 -6.250 -18.200 -6.812 1.00 0.00 H new ATOM 0 HA THR A 83 -8.736 -16.621 -7.126 1.00 0.00 H new ATOM 0 HB THR A 83 -6.515 -16.559 -5.082 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.848 -17.396 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.174 -15.297 -3.707 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.808 -14.449 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.328 -15.359 -5.060 1.00 0.00 H new ATOM 1202 N SER A 84 -7.573 -14.518 -7.941 1.00 0.00 N ATOM 1203 CA SER A 84 -7.021 -13.350 -8.597 1.00 0.00 C ATOM 1204 C SER A 84 -6.987 -12.257 -7.532 1.00 0.00 C ATOM 1205 O SER A 84 -8.006 -12.033 -6.866 1.00 0.00 O ATOM 1206 CB SER A 84 -7.945 -12.971 -9.764 1.00 0.00 C ATOM 1207 OG SER A 84 -8.274 -14.116 -10.537 1.00 0.00 O ATOM 0 H SER A 84 -8.581 -14.443 -7.801 1.00 0.00 H new ATOM 0 HA SER A 84 -6.023 -13.513 -9.003 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.856 -12.512 -9.379 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.456 -12.229 -10.395 1.00 0.00 H new ATOM 0 HG SER A 84 -8.864 -13.854 -11.274 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.831 -11.628 -7.313 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.702 -10.535 -6.356 1.00 0.00 C ATOM 1215 C LEU A 85 -4.918 -9.410 -6.994 1.00 0.00 C ATOM 1216 O LEU A 85 -4.059 -9.652 -7.844 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.946 -10.935 -5.078 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.698 -11.880 -4.136 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.438 -13.333 -4.507 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -5.203 -11.685 -2.696 1.00 0.00 C ATOM 0 H LEU A 85 -4.963 -11.863 -7.794 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.716 -10.243 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.007 -11.408 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.692 -10.029 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.761 -11.653 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.982 -13.986 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.775 -13.514 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.371 -13.542 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.742 -12.360 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.136 -11.902 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.379 -10.655 -2.387 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.095 -8.197 -6.489 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.424 -7.002 -6.967 1.00 0.00 C ATOM 1234 C ILE A 86 -3.784 -6.326 -5.757 1.00 0.00 C ATOM 1235 O ILE A 86 -4.435 -6.193 -4.713 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.417 -6.089 -7.690 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.280 -6.878 -8.699 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.653 -4.992 -8.405 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.000 -6.000 -9.714 1.00 0.00 C ATOM 0 H ILE A 86 -5.730 -8.015 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.649 -7.244 -7.694 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.090 -5.654 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.644 -7.585 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.018 -7.463 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.355 -4.338 -8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.084 -4.412 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.970 -5.437 -9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.585 -6.627 -10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.663 -5.310 -9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.268 -5.434 -10.290 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.530 -5.890 -5.897 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.764 -5.242 -4.840 1.00 0.00 C ATOM 1253 C ILE A 87 -1.220 -3.901 -5.330 1.00 0.00 C ATOM 1254 O ILE A 87 -1.082 -3.671 -6.536 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.655 -6.179 -4.291 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.511 -6.429 -5.280 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.265 -7.505 -3.806 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.608 -5.355 -5.204 1.00 0.00 C ATOM 0 H ILE A 87 -2.011 -5.982 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.426 -5.035 -3.999 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.208 -5.655 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.951 -7.405 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.117 -6.465 -6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.474 -8.151 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.986 -7.305 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.768 -8.000 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.395 -5.588 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.180 -4.380 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.028 -5.334 -4.198 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.877 -3.015 -4.395 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.315 -1.714 -4.703 1.00 0.00 C ATOM 1272 C HIS A 88 1.184 -1.820 -4.971 1.00 0.00 C ATOM 1273 O HIS A 88 1.938 -2.273 -4.110 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.615 -0.721 -3.577 1.00 0.00 C ATOM 1275 CG HIS A 88 -0.687 0.675 -4.135 1.00 0.00 C ATOM 1276 ND1 HIS A 88 0.374 1.431 -4.589 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.841 1.287 -4.539 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -0.139 2.473 -5.270 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -1.483 2.435 -5.251 1.00 0.00 N ATOM 0 H HIS A 88 -0.985 -3.188 -3.396 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.784 -1.340 -5.613 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.558 -0.979 -3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.161 -0.778 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.847 0.945 -4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.448 3.234 -5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.118 3.112 -5.674 1.00 0.00 H new ATOM 1287 N ARG A 89 1.617 -1.379 -6.157 1.00 0.00 N ATOM 1288 CA ARG A 89 3.028 -1.284 -6.525 1.00 0.00 C ATOM 1289 C ARG A 89 3.313 -0.036 -7.349 1.00 0.00 C ATOM 1290 O ARG A 89 4.299 0.643 -7.073 1.00 0.00 O ATOM 1291 CB ARG A 89 3.445 -2.549 -7.289 1.00 0.00 C ATOM 1292 CG ARG A 89 4.968 -2.709 -7.418 1.00 0.00 C ATOM 1293 CD ARG A 89 5.600 -3.141 -6.090 1.00 0.00 C ATOM 1294 NE ARG A 89 6.754 -4.033 -6.303 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.186 -4.955 -5.436 1.00 0.00 C ATOM 1296 NH1 ARG A 89 6.722 -4.974 -4.191 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.079 -5.857 -5.826 1.00 0.00 N ATOM 0 H ARG A 89 0.985 -1.074 -6.897 1.00 0.00 H new ATOM 0 HA ARG A 89 3.617 -1.204 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.037 -3.423 -6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.004 -2.525 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.194 -3.447 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.408 -1.766 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.919 -2.259 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.854 -3.650 -5.480 1.00 0.00 H new ATOM 0 HE ARG A 89 7.264 -3.940 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.033 -4.283 -3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.055 -5.679 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.432 -5.844 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.412 -6.562 -5.169 1.00 0.00 H new ATOM 1311 N GLY A 90 2.469 0.237 -8.345 1.00 0.00 N ATOM 1312 CA GLY A 90 2.627 1.336 -9.286 1.00 0.00 C ATOM 1313 C GLY A 90 2.913 2.653 -8.578 1.00 0.00 C ATOM 1314 O GLY A 90 2.280 2.962 -7.565 1.00 0.00 O ATOM 0 H GLY A 90 1.633 -0.320 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.441 1.110 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.721 1.435 -9.884 1.00 0.00 H new ATOM 1318 N SER A 91 3.872 3.393 -9.132 1.00 0.00 N ATOM 1319 CA SER A 91 4.548 4.544 -8.545 1.00 0.00 C ATOM 1320 C SER A 91 5.659 5.022 -9.486 1.00 0.00 C ATOM 1321 O SER A 91 5.884 6.226 -9.637 1.00 0.00 O ATOM 1322 CB SER A 91 5.202 4.122 -7.218 1.00 0.00 C ATOM 1323 OG SER A 91 4.383 4.451 -6.117 1.00 0.00 O ATOM 0 H SER A 91 4.220 3.188 -10.069 1.00 0.00 H new ATOM 0 HA SER A 91 3.821 5.340 -8.382 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.389 3.048 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.170 4.613 -7.114 1.00 0.00 H new ATOM 0 HG SER A 91 3.491 4.067 -6.247 1.00 0.00 H new ATOM 1329 N GLY A 92 6.387 4.068 -10.075 1.00 0.00 N ATOM 1330 CA GLY A 92 7.561 4.319 -10.889 1.00 0.00 C ATOM 1331 C GLY A 92 8.651 5.094 -10.133 1.00 0.00 C ATOM 1332 O GLY A 92 8.572 5.295 -8.912 1.00 0.00 O ATOM 0 H GLY A 92 6.163 3.077 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.969 3.369 -11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.270 4.881 -11.776 1.00 0.00 H new ATOM 1336 N PRO A 93 9.735 5.480 -10.820 1.00 0.00 N ATOM 1337 CA PRO A 93 10.869 6.154 -10.208 1.00 0.00 C ATOM 1338 C PRO A 93 10.602 7.665 -10.070 1.00 0.00 C ATOM 1339 O PRO A 93 11.303 8.469 -10.679 1.00 0.00 O ATOM 1340 CB PRO A 93 12.034 5.806 -11.142 1.00 0.00 C ATOM 1341 CG PRO A 93 11.369 5.835 -12.513 1.00 0.00 C ATOM 1342 CD PRO A 93 10.018 5.186 -12.221 1.00 0.00 C ATOM 0 HA PRO A 93 11.079 5.838 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.845 6.530 -11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.458 4.828 -10.916 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.261 6.851 -12.893 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.939 5.276 -13.255 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.241 5.589 -12.871 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.054 4.111 -12.396 1.00 0.00 H new ATOM 1350 N SER A 94 9.625 8.053 -9.243 1.00 0.00 N ATOM 1351 CA SER A 94 9.232 9.424 -8.912 1.00 0.00 C ATOM 1352 C SER A 94 8.269 9.944 -9.982 1.00 0.00 C ATOM 1353 O SER A 94 8.715 10.331 -11.064 1.00 0.00 O ATOM 1354 CB SER A 94 10.446 10.351 -8.697 1.00 0.00 C ATOM 1355 OG SER A 94 10.078 11.529 -7.999 1.00 0.00 O ATOM 0 H SER A 94 9.049 7.368 -8.754 1.00 0.00 H new ATOM 0 HA SER A 94 8.712 9.419 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.217 9.820 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.878 10.617 -9.662 1.00 0.00 H new ATOM 0 HG SER A 94 10.868 12.096 -7.876 1.00 0.00 H new ATOM 1361 N SER A 95 6.961 9.972 -9.696 1.00 0.00 N ATOM 1362 CA SER A 95 5.911 10.318 -10.659 1.00 0.00 C ATOM 1363 C SER A 95 6.066 9.495 -11.952 1.00 0.00 C ATOM 1364 O SER A 95 5.888 10.006 -13.066 1.00 0.00 O ATOM 1365 CB SER A 95 5.908 11.846 -10.876 1.00 0.00 C ATOM 1366 OG SER A 95 4.771 12.303 -11.587 1.00 0.00 O ATOM 0 H SER A 95 6.597 9.750 -8.769 1.00 0.00 H new ATOM 0 HA SER A 95 4.928 10.053 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.949 12.345 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.808 12.132 -11.420 1.00 0.00 H new ATOM 0 HG SER A 95 4.659 11.770 -12.402 1.00 0.00 H new ATOM 1372 N GLY A 96 6.412 8.212 -11.833 1.00 0.00 N ATOM 1373 CA GLY A 96 6.571 7.341 -12.984 1.00 0.00 C ATOM 1374 C GLY A 96 5.266 6.647 -13.323 1.00 0.00 C ATOM 1375 O GLY A 96 5.305 5.816 -14.253 1.00 0.00 O ATOM 0 H GLY A 96 6.588 7.755 -10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.911 7.923 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.340 6.597 -12.778 1.00 0.00 H new TER 1379 GLY A 96