USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 86 THR OG1 : rot 71:sc= 0.0478 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -118:sc= -2.54! (180deg=-8.06!) USER MOD Set 2.1: A 67 SER OG : rot 109:sc= 0.512 USER MOD Set 2.2: A 70 GLN : amide:sc= -0.0549 K(o=0.46,f=-2!) USER MOD Set 3.1: A 40 ASN :FLIP amide:sc= -2.12 F(o=-7.4!,f=-6.5) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 148:sc= -5.23! (180deg=-8.89!) USER MOD Set 3.3: A 60 SER OG : rot -90:sc= 0.808 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0.572 USER MOD Set 4.2: A 73 SER OG : rot 133:sc= 0.769 USER MOD Set 4.3: A 75 THR OG1 : rot -110:sc= 0.061 USER MOD Set 5.1: A 1 GLU N :NH3+ 167:sc= -1.69! (180deg=-4.29!) USER MOD Set 5.2: A 3 TYR OH : rot -1:sc= 0.84 USER MOD Set 5.3: A 24 LYS NZ :NH3+ -132:sc= -0.874! (180deg=-3.66!) USER MOD Set 6.1: A 9 SER OG : rot 180:sc= 0.589 USER MOD Set 6.2: A 11 LYS NZ :NH3+ 136:sc= -1.48! (180deg=-2.54!) USER MOD Single : A 2 THR OG1 : rot 109:sc= 0.309 USER MOD Single : A 4 THR OG1 : rot -68:sc= 0.869 USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= -0.568! (180deg=-4.11!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4! C(o=-4!,f=-11!) USER MOD Single : A 34 ASN : amide:sc= -4.56! C(o=-4.6!,f=-8.5!) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.904 (180deg=0.74) USER MOD Single : A 48 ASN : amide:sc= -0.299! C(o=-0.3!,f=-8!) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc= 1.03 (180deg=-0.914) USER MOD Single : A 52 SER OG : rot -79:sc= -1.25 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -3.41 K(o=-3.4,f=-7.2!) USER MOD Single : A 62 LYS NZ :NH3+ -121:sc= 0.339! (180deg=-0.659!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -130:sc= -0.28 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 115:sc= 0.988 USER MOD Single : A 85 TYR OH : rot 52:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 97:sc= 1.46 USER MOD Single : A 97 MET CE :methyl -176:sc= -0.918 (180deg=-0.961) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.726 -6.711 -15.979 1.00 0.00 N ATOM 2 CA GLU A 1 -5.206 -5.708 -16.944 1.00 0.00 C ATOM 3 C GLU A 1 -4.658 -4.566 -16.045 1.00 0.00 C ATOM 4 O GLU A 1 -5.117 -4.483 -14.928 1.00 0.00 O ATOM 5 CB GLU A 1 -6.403 -5.274 -17.896 1.00 0.00 C ATOM 6 CG GLU A 1 -7.828 -5.145 -17.176 1.00 0.00 C ATOM 7 CD GLU A 1 -8.567 -6.440 -16.863 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.082 -7.517 -17.138 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.635 -6.336 -16.309 1.00 0.00 O ATOM 0 H1 GLU A 1 -6.308 -7.409 -16.484 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.929 -7.194 -15.517 1.00 0.00 H new ATOM 0 H3 GLU A 1 -6.305 -6.233 -15.259 1.00 0.00 H new ATOM 0 HA GLU A 1 -4.416 -6.059 -17.607 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.155 -4.316 -18.352 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -6.486 -6.000 -18.705 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -7.687 -4.602 -16.242 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -8.472 -4.532 -17.807 1.00 0.00 H new ATOM 18 N THR A 2 -3.730 -3.711 -16.419 1.00 0.00 N ATOM 19 CA THR A 2 -3.308 -2.650 -15.411 1.00 0.00 C ATOM 20 C THR A 2 -4.461 -1.884 -14.754 1.00 0.00 C ATOM 21 O THR A 2 -5.426 -1.454 -15.352 1.00 0.00 O ATOM 22 CB THR A 2 -2.385 -1.537 -16.004 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.248 -0.632 -14.916 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.013 -0.678 -17.041 1.00 0.00 C ATOM 0 H THR A 2 -3.262 -3.689 -17.325 1.00 0.00 H new ATOM 0 HA THR A 2 -2.784 -3.265 -14.680 1.00 0.00 H new ATOM 0 HB THR A 2 -1.506 -2.019 -16.432 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.337 -0.686 -14.558 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.291 0.061 -17.387 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.332 -1.295 -17.881 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.878 -0.169 -16.616 1.00 0.00 H new ATOM 32 N TYR A 3 -4.264 -1.775 -13.485 1.00 0.00 N ATOM 33 CA TYR A 3 -5.209 -1.074 -12.573 1.00 0.00 C ATOM 34 C TYR A 3 -4.501 0.187 -12.054 1.00 0.00 C ATOM 35 O TYR A 3 -3.961 0.229 -10.970 1.00 0.00 O ATOM 36 CB TYR A 3 -5.573 -2.096 -11.469 1.00 0.00 C ATOM 37 CG TYR A 3 -6.288 -3.274 -12.150 1.00 0.00 C ATOM 38 CD1 TYR A 3 -7.456 -3.062 -12.853 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.776 -4.552 -12.088 1.00 0.00 C ATOM 40 CE1 TYR A 3 -8.095 -4.108 -13.482 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.423 -5.597 -12.720 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.577 -5.373 -13.415 1.00 0.00 C ATOM 43 OH TYR A 3 -8.222 -6.392 -14.070 1.00 0.00 O ATOM 0 H TYR A 3 -3.447 -2.160 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.134 -0.740 -13.044 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.676 -2.438 -10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.218 -1.638 -10.719 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.873 -2.067 -12.911 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.863 -4.738 -11.542 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.008 -3.929 -14.030 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.014 -6.595 -12.664 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.025 -6.042 -14.509 1.00 0.00 H new ATOM 53 N THR A 4 -4.537 1.175 -12.892 1.00 0.00 N ATOM 54 CA THR A 4 -3.928 2.553 -12.686 1.00 0.00 C ATOM 55 C THR A 4 -4.157 3.194 -11.296 1.00 0.00 C ATOM 56 O THR A 4 -4.906 4.147 -11.175 1.00 0.00 O ATOM 57 CB THR A 4 -4.500 3.466 -13.794 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.616 2.636 -14.931 1.00 0.00 O ATOM 59 CG2 THR A 4 -3.536 4.489 -14.291 1.00 0.00 C ATOM 0 H THR A 4 -5.002 1.091 -13.796 1.00 0.00 H new ATOM 0 HA THR A 4 -2.846 2.437 -12.740 1.00 0.00 H new ATOM 0 HB THR A 4 -5.396 3.938 -13.390 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.722 2.396 -15.254 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.011 5.090 -15.066 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.233 5.134 -13.466 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.659 3.992 -14.704 1.00 0.00 H new ATOM 67 N VAL A 5 -3.515 2.650 -10.299 1.00 0.00 N ATOM 68 CA VAL A 5 -3.587 3.114 -8.858 1.00 0.00 C ATOM 69 C VAL A 5 -3.254 4.614 -8.696 1.00 0.00 C ATOM 70 O VAL A 5 -2.457 5.148 -9.440 1.00 0.00 O ATOM 71 CB VAL A 5 -2.579 2.222 -8.044 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.265 2.801 -6.649 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.193 0.845 -7.781 1.00 0.00 C ATOM 0 H VAL A 5 -2.899 1.847 -10.424 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.606 3.004 -8.488 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.673 2.176 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.565 2.145 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.822 3.791 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.186 2.877 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.488 0.234 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.113 0.960 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.416 0.359 -8.731 1.00 0.00 H new ATOM 83 N LYS A 6 -3.847 5.276 -7.745 1.00 0.00 N ATOM 84 CA LYS A 6 -3.564 6.749 -7.526 1.00 0.00 C ATOM 85 C LYS A 6 -3.133 7.088 -6.066 1.00 0.00 C ATOM 86 O LYS A 6 -3.798 6.704 -5.122 1.00 0.00 O ATOM 87 CB LYS A 6 -4.855 7.511 -7.926 1.00 0.00 C ATOM 88 CG LYS A 6 -5.191 7.248 -9.418 1.00 0.00 C ATOM 89 CD LYS A 6 -6.694 7.623 -9.642 1.00 0.00 C ATOM 90 CE LYS A 6 -7.274 6.908 -10.862 1.00 0.00 C ATOM 91 NZ LYS A 6 -7.117 5.465 -10.576 1.00 0.00 N ATOM 0 H LYS A 6 -4.523 4.870 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.714 7.051 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.685 7.190 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.722 8.580 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.548 7.844 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.016 6.202 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.272 7.360 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.785 8.701 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.322 7.168 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.744 7.189 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.481 5.039 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.713 5.341 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.046 4.999 -10.621 1.00 0.00 H new ATOM 105 N LEU A 7 -2.044 7.794 -5.917 1.00 0.00 N ATOM 106 CA LEU A 7 -1.525 8.192 -4.554 1.00 0.00 C ATOM 107 C LEU A 7 -1.488 9.740 -4.346 1.00 0.00 C ATOM 108 O LEU A 7 -0.585 10.432 -4.772 1.00 0.00 O ATOM 109 CB LEU A 7 -0.102 7.572 -4.386 1.00 0.00 C ATOM 110 CG LEU A 7 0.800 7.880 -5.596 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.208 8.070 -5.084 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.852 6.661 -6.516 1.00 0.00 C ATOM 0 H LEU A 7 -1.472 8.124 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.206 7.812 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.360 7.962 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.188 6.493 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 7 0.418 8.756 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.872 8.290 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.229 8.898 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.540 7.159 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.490 6.879 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.256 5.809 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.154 6.424 -6.864 1.00 0.00 H new ATOM 124 N GLY A 8 -2.488 10.260 -3.681 1.00 0.00 N ATOM 125 CA GLY A 8 -2.565 11.760 -3.427 1.00 0.00 C ATOM 126 C GLY A 8 -3.573 12.427 -4.361 1.00 0.00 C ATOM 127 O GLY A 8 -3.181 13.042 -5.326 1.00 0.00 O ATOM 0 H GLY A 8 -3.264 9.722 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.850 11.942 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.581 12.207 -3.570 1.00 0.00 H new ATOM 131 N SER A 9 -4.851 12.357 -4.109 1.00 0.00 N ATOM 132 CA SER A 9 -5.785 13.033 -5.094 1.00 0.00 C ATOM 133 C SER A 9 -6.030 14.482 -4.702 1.00 0.00 C ATOM 134 O SER A 9 -7.123 14.850 -4.318 1.00 0.00 O ATOM 135 CB SER A 9 -7.138 12.290 -5.149 1.00 0.00 C ATOM 136 OG SER A 9 -7.804 12.960 -6.230 1.00 0.00 O ATOM 0 H SER A 9 -5.286 11.891 -3.313 1.00 0.00 H new ATOM 0 HA SER A 9 -5.311 13.004 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.011 11.225 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.690 12.378 -4.213 1.00 0.00 H new ATOM 0 HG SER A 9 -8.691 12.565 -6.363 1.00 0.00 H new ATOM 142 N ASP A 10 -4.981 15.241 -4.821 1.00 0.00 N ATOM 143 CA ASP A 10 -4.875 16.711 -4.518 1.00 0.00 C ATOM 144 C ASP A 10 -6.093 17.651 -4.190 1.00 0.00 C ATOM 145 O ASP A 10 -6.207 18.781 -4.614 1.00 0.00 O ATOM 146 CB ASP A 10 -4.012 17.209 -5.730 1.00 0.00 C ATOM 147 CG ASP A 10 -2.555 17.114 -5.381 1.00 0.00 C ATOM 148 OD1 ASP A 10 -2.240 17.602 -4.316 1.00 0.00 O ATOM 149 OD2 ASP A 10 -1.784 16.591 -6.155 1.00 0.00 O ATOM 0 H ASP A 10 -4.094 14.861 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.484 16.793 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.225 16.607 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.271 18.239 -5.976 1.00 0.00 H new ATOM 154 N LYS A 11 -6.998 17.125 -3.428 1.00 0.00 N ATOM 155 CA LYS A 11 -8.228 17.849 -2.980 1.00 0.00 C ATOM 156 C LYS A 11 -8.228 17.902 -1.434 1.00 0.00 C ATOM 157 O LYS A 11 -9.253 17.960 -0.791 1.00 0.00 O ATOM 158 CB LYS A 11 -9.428 17.061 -3.562 1.00 0.00 C ATOM 159 CG LYS A 11 -9.778 17.680 -4.952 1.00 0.00 C ATOM 160 CD LYS A 11 -10.449 16.611 -5.846 1.00 0.00 C ATOM 161 CE LYS A 11 -9.491 16.154 -6.939 1.00 0.00 C ATOM 162 NZ LYS A 11 -8.220 15.757 -6.274 1.00 0.00 N ATOM 0 H LYS A 11 -6.938 16.170 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.279 18.880 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.177 16.005 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.285 17.120 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.446 18.532 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.874 18.054 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.751 15.758 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.354 17.020 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.913 15.316 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.316 16.956 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.878 14.864 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.506 16.500 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.386 15.629 -5.255 1.00 0.00 H new ATOM 176 N GLY A 12 -7.037 17.869 -0.893 1.00 0.00 N ATOM 177 CA GLY A 12 -6.852 17.906 0.607 1.00 0.00 C ATOM 178 C GLY A 12 -6.206 16.671 1.258 1.00 0.00 C ATOM 179 O GLY A 12 -5.514 16.830 2.239 1.00 0.00 O ATOM 0 H GLY A 12 -6.169 17.817 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.244 18.776 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.829 18.060 1.066 1.00 0.00 H new ATOM 183 N LEU A 13 -6.407 15.481 0.740 1.00 0.00 N ATOM 184 CA LEU A 13 -5.775 14.271 1.397 1.00 0.00 C ATOM 185 C LEU A 13 -4.788 13.384 0.585 1.00 0.00 C ATOM 186 O LEU A 13 -4.826 13.273 -0.628 1.00 0.00 O ATOM 187 CB LEU A 13 -6.950 13.391 1.920 1.00 0.00 C ATOM 188 CG LEU A 13 -7.872 14.155 2.886 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.037 13.233 3.247 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.131 14.460 4.188 1.00 0.00 C ATOM 0 H LEU A 13 -6.967 15.288 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.115 14.684 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.534 13.030 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.546 12.514 2.425 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.203 15.080 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.710 13.748 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.580 12.961 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.653 12.331 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.792 15.001 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.818 13.527 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.254 15.070 3.973 1.00 0.00 H new ATOM 202 N LEU A 14 -3.928 12.740 1.322 1.00 0.00 N ATOM 203 CA LEU A 14 -2.884 11.822 0.744 1.00 0.00 C ATOM 204 C LEU A 14 -3.445 10.381 0.722 1.00 0.00 C ATOM 205 O LEU A 14 -2.910 9.470 1.318 1.00 0.00 O ATOM 206 CB LEU A 14 -1.617 11.924 1.642 1.00 0.00 C ATOM 207 CG LEU A 14 -0.871 13.244 1.429 1.00 0.00 C ATOM 208 CD1 LEU A 14 0.196 13.350 2.518 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.106 13.162 0.106 1.00 0.00 C ATOM 0 H LEU A 14 -3.898 12.810 2.339 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.623 12.099 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.906 11.835 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.949 11.090 1.424 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.572 14.079 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.749 14.282 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.281 13.337 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.883 12.507 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.432 14.095 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.604 12.336 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.808 12.996 -0.711 1.00 0.00 H new ATOM 221 N VAL A 15 -4.521 10.230 0.004 1.00 0.00 N ATOM 222 CA VAL A 15 -5.187 8.881 -0.105 1.00 0.00 C ATOM 223 C VAL A 15 -4.659 7.974 -1.238 1.00 0.00 C ATOM 224 O VAL A 15 -4.092 8.438 -2.210 1.00 0.00 O ATOM 225 CB VAL A 15 -6.716 9.114 -0.295 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.274 9.871 0.915 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.989 9.982 -1.543 1.00 0.00 C ATOM 0 H VAL A 15 -4.977 10.978 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.955 8.345 0.815 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.190 8.139 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.343 10.033 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.106 9.286 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.770 10.833 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.063 10.131 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.499 10.949 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.598 9.480 -2.428 1.00 0.00 H new ATOM 237 N PHE A 16 -4.898 6.706 -1.046 1.00 0.00 N ATOM 238 CA PHE A 16 -4.478 5.621 -2.003 1.00 0.00 C ATOM 239 C PHE A 16 -5.694 4.907 -2.657 1.00 0.00 C ATOM 240 O PHE A 16 -6.451 4.223 -1.996 1.00 0.00 O ATOM 241 CB PHE A 16 -3.623 4.625 -1.185 1.00 0.00 C ATOM 242 CG PHE A 16 -2.332 4.144 -1.869 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.019 4.297 -3.207 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.430 3.512 -1.052 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.815 3.817 -3.698 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.236 3.034 -1.530 1.00 0.00 C ATOM 247 CZ PHE A 16 0.075 3.186 -2.855 1.00 0.00 C ATOM 0 H PHE A 16 -5.392 6.354 -0.226 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.912 6.048 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.359 5.093 -0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.235 3.754 -0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.713 4.791 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.666 3.387 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.573 3.938 -4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.456 2.540 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.013 2.813 -3.238 1.00 0.00 H new ATOM 257 N GLU A 17 -5.845 5.080 -3.933 1.00 0.00 N ATOM 258 CA GLU A 17 -6.982 4.443 -4.685 1.00 0.00 C ATOM 259 C GLU A 17 -6.485 3.312 -5.640 1.00 0.00 C ATOM 260 O GLU A 17 -5.341 3.323 -6.053 1.00 0.00 O ATOM 261 CB GLU A 17 -7.678 5.637 -5.405 1.00 0.00 C ATOM 262 CG GLU A 17 -8.645 5.198 -6.585 1.00 0.00 C ATOM 263 CD GLU A 17 -7.931 4.769 -7.856 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.730 4.903 -7.943 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.615 4.317 -8.750 1.00 0.00 O ATOM 0 H GLU A 17 -5.222 5.646 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.688 3.920 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.249 6.208 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.914 6.304 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.270 4.375 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.312 6.028 -6.820 1.00 0.00 H new ATOM 272 N PRO A 18 -7.332 2.355 -5.952 1.00 0.00 N ATOM 273 CA PRO A 18 -8.545 1.942 -5.155 1.00 0.00 C ATOM 274 C PRO A 18 -8.259 1.187 -3.812 1.00 0.00 C ATOM 275 O PRO A 18 -9.101 0.470 -3.303 1.00 0.00 O ATOM 276 CB PRO A 18 -9.319 1.117 -6.188 1.00 0.00 C ATOM 277 CG PRO A 18 -8.159 0.400 -6.937 1.00 0.00 C ATOM 278 CD PRO A 18 -7.179 1.557 -7.199 1.00 0.00 C ATOM 0 HA PRO A 18 -9.095 2.796 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.005 0.411 -5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.913 1.744 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.708 -0.387 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.498 -0.065 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.157 1.206 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.445 2.128 -8.088 1.00 0.00 H new ATOM 286 N ALA A 19 -7.077 1.376 -3.282 1.00 0.00 N ATOM 287 CA ALA A 19 -6.582 0.755 -1.992 1.00 0.00 C ATOM 288 C ALA A 19 -6.400 -0.804 -1.996 1.00 0.00 C ATOM 289 O ALA A 19 -5.351 -1.318 -1.662 1.00 0.00 O ATOM 290 CB ALA A 19 -7.575 1.206 -0.877 1.00 0.00 C ATOM 0 H ALA A 19 -6.380 1.979 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.564 1.108 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.264 0.785 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.578 2.294 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.578 0.855 -1.119 1.00 0.00 H new ATOM 296 N LYS A 20 -7.435 -1.495 -2.378 1.00 0.00 N ATOM 297 CA LYS A 20 -7.479 -3.007 -2.454 1.00 0.00 C ATOM 298 C LYS A 20 -7.550 -3.576 -3.913 1.00 0.00 C ATOM 299 O LYS A 20 -8.560 -3.507 -4.588 1.00 0.00 O ATOM 300 CB LYS A 20 -8.710 -3.451 -1.603 1.00 0.00 C ATOM 301 CG LYS A 20 -9.979 -2.689 -2.076 1.00 0.00 C ATOM 302 CD LYS A 20 -11.220 -3.303 -1.397 1.00 0.00 C ATOM 303 CE LYS A 20 -12.453 -2.604 -1.937 1.00 0.00 C ATOM 304 NZ LYS A 20 -13.633 -3.256 -1.280 1.00 0.00 N ATOM 0 H LYS A 20 -8.311 -1.056 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.546 -3.414 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.863 -4.526 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.526 -3.250 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.898 -1.631 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.074 -2.753 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.272 -4.373 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.159 -3.184 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.424 -1.538 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.510 -2.700 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.509 -2.810 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.646 -4.269 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.563 -3.142 -0.249 1.00 0.00 H new ATOM 318 N LEU A 21 -6.460 -4.124 -4.369 1.00 0.00 N ATOM 319 CA LEU A 21 -6.364 -4.706 -5.749 1.00 0.00 C ATOM 320 C LEU A 21 -6.085 -6.215 -6.031 1.00 0.00 C ATOM 321 O LEU A 21 -4.986 -6.699 -5.850 1.00 0.00 O ATOM 322 CB LEU A 21 -5.296 -3.871 -6.477 1.00 0.00 C ATOM 323 CG LEU A 21 -5.012 -4.448 -7.898 1.00 0.00 C ATOM 324 CD1 LEU A 21 -6.276 -4.727 -8.758 1.00 0.00 C ATOM 325 CD2 LEU A 21 -4.126 -3.464 -8.638 1.00 0.00 C ATOM 0 H LEU A 21 -5.599 -4.198 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.399 -4.659 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.631 -2.837 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.376 -3.862 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.537 -5.417 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.976 -5.126 -9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.910 -5.452 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.829 -3.799 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.913 -3.846 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.636 -2.504 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.192 -3.334 -8.092 1.00 0.00 H new ATOM 337 N THR A 22 -7.059 -6.948 -6.477 1.00 0.00 N ATOM 338 CA THR A 22 -6.797 -8.407 -6.780 1.00 0.00 C ATOM 339 C THR A 22 -6.463 -8.382 -8.281 1.00 0.00 C ATOM 340 O THR A 22 -7.349 -8.502 -9.108 1.00 0.00 O ATOM 341 CB THR A 22 -8.049 -9.272 -6.555 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.293 -9.149 -5.168 1.00 0.00 O ATOM 343 CG2 THR A 22 -7.729 -10.755 -6.663 1.00 0.00 C ATOM 0 H THR A 22 -8.011 -6.625 -6.647 1.00 0.00 H new ATOM 0 HA THR A 22 -6.019 -8.830 -6.144 1.00 0.00 H new ATOM 0 HB THR A 22 -8.829 -8.974 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.085 -9.673 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.636 -11.336 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.335 -10.971 -7.656 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.986 -11.023 -5.912 1.00 0.00 H new ATOM 351 N ILE A 23 -5.208 -8.223 -8.633 1.00 0.00 N ATOM 352 CA ILE A 23 -4.885 -8.183 -10.102 1.00 0.00 C ATOM 353 C ILE A 23 -4.816 -9.570 -10.675 1.00 0.00 C ATOM 354 O ILE A 23 -4.902 -10.555 -9.959 1.00 0.00 O ATOM 355 CB ILE A 23 -3.475 -7.528 -10.469 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.230 -8.469 -10.374 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.192 -6.321 -9.654 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.991 -8.947 -8.948 1.00 0.00 C ATOM 0 H ILE A 23 -4.418 -8.122 -7.996 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.690 -7.574 -10.514 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.606 -7.279 -11.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.374 -9.330 -11.027 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.347 -7.941 -10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.223 -5.909 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.968 -5.575 -9.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.176 -6.590 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.117 -9.598 -8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.821 -8.087 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.864 -9.498 -8.598 1.00 0.00 H new ATOM 370 N LYS A 24 -4.650 -9.623 -11.964 1.00 0.00 N ATOM 371 CA LYS A 24 -4.566 -10.960 -12.575 1.00 0.00 C ATOM 372 C LYS A 24 -3.050 -11.344 -12.694 1.00 0.00 C ATOM 373 O LYS A 24 -2.269 -10.563 -13.201 1.00 0.00 O ATOM 374 CB LYS A 24 -5.244 -10.924 -13.982 1.00 0.00 C ATOM 375 CG LYS A 24 -6.802 -11.014 -13.920 1.00 0.00 C ATOM 376 CD LYS A 24 -7.461 -9.651 -14.332 1.00 0.00 C ATOM 377 CE LYS A 24 -8.838 -9.913 -14.957 1.00 0.00 C ATOM 378 NZ LYS A 24 -9.491 -8.602 -15.180 1.00 0.00 N ATOM 0 H LYS A 24 -4.572 -8.826 -12.596 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.081 -11.703 -11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.960 -10.003 -14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.863 -11.750 -14.582 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.151 -11.806 -14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.114 -11.283 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.563 -9.006 -13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.822 -9.126 -15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.734 -10.453 -15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.444 -10.535 -14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.465 -8.633 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.959 -7.860 -14.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.509 -8.392 -16.198 1.00 0.00 H new ATOM 392 N PRO A 25 -2.658 -12.513 -12.235 1.00 0.00 N ATOM 393 CA PRO A 25 -1.214 -12.887 -12.044 1.00 0.00 C ATOM 394 C PRO A 25 -0.128 -12.201 -12.930 1.00 0.00 C ATOM 395 O PRO A 25 0.314 -12.767 -13.909 1.00 0.00 O ATOM 396 CB PRO A 25 -1.272 -14.451 -12.161 1.00 0.00 C ATOM 397 CG PRO A 25 -2.753 -14.767 -12.549 1.00 0.00 C ATOM 398 CD PRO A 25 -3.546 -13.646 -11.879 1.00 0.00 C ATOM 0 HA PRO A 25 -0.842 -12.506 -11.093 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.578 -14.817 -12.918 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.999 -14.929 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.893 -14.767 -13.630 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.062 -15.748 -12.188 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.553 -13.539 -12.283 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.647 -13.783 -10.802 1.00 0.00 H new ATOM 406 N GLY A 26 0.284 -11.003 -12.576 1.00 0.00 N ATOM 407 CA GLY A 26 1.342 -10.295 -13.411 1.00 0.00 C ATOM 408 C GLY A 26 1.012 -8.852 -13.779 1.00 0.00 C ATOM 409 O GLY A 26 1.880 -8.011 -13.856 1.00 0.00 O ATOM 0 H GLY A 26 -0.052 -10.485 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.284 -10.308 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.498 -10.862 -14.329 1.00 0.00 H new ATOM 413 N ASP A 27 -0.250 -8.635 -13.993 1.00 0.00 N ATOM 414 CA ASP A 27 -0.822 -7.308 -14.373 1.00 0.00 C ATOM 415 C ASP A 27 -0.031 -5.969 -14.206 1.00 0.00 C ATOM 416 O ASP A 27 0.579 -5.637 -13.208 1.00 0.00 O ATOM 417 CB ASP A 27 -2.189 -7.275 -13.622 1.00 0.00 C ATOM 418 CG ASP A 27 -3.359 -7.343 -14.548 1.00 0.00 C ATOM 419 OD1 ASP A 27 -3.213 -7.097 -15.726 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.413 -7.636 -14.033 1.00 0.00 O ATOM 0 H ASP A 27 -0.955 -9.368 -13.916 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.838 -7.294 -15.463 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.235 -8.111 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.252 -6.361 -13.031 1.00 0.00 H new ATOM 425 N THR A 28 -0.108 -5.193 -15.248 1.00 0.00 N ATOM 426 CA THR A 28 0.579 -3.847 -15.333 1.00 0.00 C ATOM 427 C THR A 28 0.120 -2.689 -14.477 1.00 0.00 C ATOM 428 O THR A 28 0.208 -1.539 -14.818 1.00 0.00 O ATOM 429 CB THR A 28 0.533 -3.456 -16.786 1.00 0.00 C ATOM 430 OG1 THR A 28 1.267 -4.504 -17.378 1.00 0.00 O ATOM 431 CG2 THR A 28 1.442 -2.320 -17.169 1.00 0.00 C ATOM 0 H THR A 28 -0.638 -5.435 -16.085 1.00 0.00 H new ATOM 0 HA THR A 28 1.566 -4.018 -14.904 1.00 0.00 H new ATOM 0 HB THR A 28 -0.502 -3.234 -17.046 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.311 -4.366 -18.347 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.337 -2.113 -18.234 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.173 -1.431 -16.599 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.475 -2.592 -16.952 1.00 0.00 H new ATOM 439 N VAL A 29 -0.346 -3.029 -13.338 1.00 0.00 N ATOM 440 CA VAL A 29 -0.852 -2.013 -12.326 1.00 0.00 C ATOM 441 C VAL A 29 0.096 -0.780 -12.230 1.00 0.00 C ATOM 442 O VAL A 29 1.227 -0.895 -11.796 1.00 0.00 O ATOM 443 CB VAL A 29 -0.979 -2.714 -10.926 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.338 -3.417 -10.529 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.287 -1.679 -9.827 1.00 0.00 C ATOM 0 H VAL A 29 -0.414 -3.997 -13.023 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.826 -1.647 -12.651 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.785 -3.443 -11.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.218 -3.892 -9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.586 -4.173 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.141 -2.682 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.371 -2.184 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.482 -0.945 -9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.226 -1.174 -10.055 1.00 0.00 H new ATOM 455 N GLU A 30 -0.400 0.344 -12.663 1.00 0.00 N ATOM 456 CA GLU A 30 0.366 1.627 -12.637 1.00 0.00 C ATOM 457 C GLU A 30 0.095 2.457 -11.365 1.00 0.00 C ATOM 458 O GLU A 30 -0.994 2.453 -10.831 1.00 0.00 O ATOM 459 CB GLU A 30 -0.035 2.484 -13.821 1.00 0.00 C ATOM 460 CG GLU A 30 0.128 1.781 -15.190 1.00 0.00 C ATOM 461 CD GLU A 30 -0.839 2.453 -16.137 1.00 0.00 C ATOM 462 OE1 GLU A 30 -1.988 2.068 -16.008 1.00 0.00 O ATOM 463 OE2 GLU A 30 -0.380 3.290 -16.884 1.00 0.00 O ATOM 0 H GLU A 30 -1.340 0.431 -13.049 1.00 0.00 H new ATOM 0 HA GLU A 30 1.421 1.356 -12.666 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.075 2.787 -13.701 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.565 3.394 -13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.152 1.871 -15.553 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.088 0.716 -15.107 1.00 0.00 H new ATOM 470 N PHE A 31 1.099 3.148 -10.916 1.00 0.00 N ATOM 471 CA PHE A 31 0.990 4.013 -9.694 1.00 0.00 C ATOM 472 C PHE A 31 1.098 5.517 -10.078 1.00 0.00 C ATOM 473 O PHE A 31 2.167 6.066 -10.251 1.00 0.00 O ATOM 474 CB PHE A 31 2.116 3.572 -8.727 1.00 0.00 C ATOM 475 CG PHE A 31 1.845 2.140 -8.229 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.093 1.042 -9.029 1.00 0.00 C ATOM 477 CD2 PHE A 31 1.346 1.930 -6.958 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.848 -0.232 -8.566 1.00 0.00 C ATOM 479 CE2 PHE A 31 1.098 0.655 -6.492 1.00 0.00 C ATOM 480 CZ PHE A 31 1.351 -0.428 -7.299 1.00 0.00 C ATOM 0 H PHE A 31 2.021 3.155 -11.352 1.00 0.00 H new ATOM 0 HA PHE A 31 0.022 3.895 -9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.080 3.614 -9.234 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.170 4.257 -7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.482 1.183 -10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.147 2.777 -6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.047 -1.082 -9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.706 0.509 -5.496 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.160 -1.429 -6.940 1.00 0.00 H new ATOM 490 N LEU A 32 -0.025 6.157 -10.204 1.00 0.00 N ATOM 491 CA LEU A 32 -0.080 7.605 -10.574 1.00 0.00 C ATOM 492 C LEU A 32 0.234 8.545 -9.390 1.00 0.00 C ATOM 493 O LEU A 32 -0.431 8.553 -8.370 1.00 0.00 O ATOM 494 CB LEU A 32 -1.500 7.862 -11.155 1.00 0.00 C ATOM 495 CG LEU A 32 -1.655 7.379 -12.617 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.857 8.294 -13.546 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.078 5.971 -12.791 1.00 0.00 C ATOM 0 H LEU A 32 -0.939 5.728 -10.062 1.00 0.00 H new ATOM 0 HA LEU A 32 0.693 7.828 -11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.238 7.357 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.718 8.929 -11.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.719 7.388 -12.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.967 7.953 -14.575 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.230 9.315 -13.460 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.196 8.268 -13.266 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.199 5.654 -13.827 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.019 5.978 -12.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.605 5.278 -12.135 1.00 0.00 H new ATOM 509 N ASN A 33 1.265 9.311 -9.613 1.00 0.00 N ATOM 510 CA ASN A 33 1.772 10.307 -8.607 1.00 0.00 C ATOM 511 C ASN A 33 1.123 11.720 -8.666 1.00 0.00 C ATOM 512 O ASN A 33 0.706 12.191 -9.708 1.00 0.00 O ATOM 513 CB ASN A 33 3.294 10.423 -8.837 1.00 0.00 C ATOM 514 CG ASN A 33 3.995 10.804 -7.561 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.184 9.999 -6.690 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.423 11.987 -7.329 1.00 0.00 N ATOM 0 H ASN A 33 1.801 9.292 -10.481 1.00 0.00 H new ATOM 0 HA ASN A 33 1.504 9.936 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.685 9.474 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.495 11.169 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.891 12.196 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.296 12.721 -8.026 1.00 0.00 H new ATOM 523 N ASN A 34 1.079 12.344 -7.526 1.00 0.00 N ATOM 524 CA ASN A 34 0.495 13.724 -7.383 1.00 0.00 C ATOM 525 C ASN A 34 1.650 14.690 -6.996 1.00 0.00 C ATOM 526 O ASN A 34 2.800 14.297 -7.054 1.00 0.00 O ATOM 527 CB ASN A 34 -0.609 13.612 -6.292 1.00 0.00 C ATOM 528 CG ASN A 34 -0.182 14.118 -4.924 1.00 0.00 C ATOM 529 OD1 ASN A 34 0.880 13.869 -4.402 1.00 0.00 O ATOM 530 ND2 ASN A 34 -0.974 14.863 -4.256 1.00 0.00 N ATOM 0 H ASN A 34 1.432 11.950 -6.654 1.00 0.00 H new ATOM 0 HA ASN A 34 0.045 14.116 -8.295 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.485 14.173 -6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.913 12.569 -6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.695 15.210 -3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.886 15.111 -4.640 1.00 0.00 H new ATOM 537 N LYS A 35 1.362 15.909 -6.614 1.00 0.00 N ATOM 538 CA LYS A 35 2.517 16.814 -6.237 1.00 0.00 C ATOM 539 C LYS A 35 2.504 17.329 -4.769 1.00 0.00 C ATOM 540 O LYS A 35 2.524 18.500 -4.445 1.00 0.00 O ATOM 541 CB LYS A 35 2.592 18.014 -7.313 1.00 0.00 C ATOM 542 CG LYS A 35 1.332 18.832 -7.723 1.00 0.00 C ATOM 543 CD LYS A 35 0.786 19.703 -6.558 1.00 0.00 C ATOM 544 CE LYS A 35 -0.255 18.892 -5.878 1.00 0.00 C ATOM 545 NZ LYS A 35 -0.754 19.585 -4.665 1.00 0.00 N ATOM 0 H LYS A 35 0.428 16.313 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 35 3.427 16.214 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.323 18.729 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.004 17.590 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.578 19.474 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.552 18.149 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.584 19.969 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.367 20.636 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.083 18.706 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.156 17.920 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.539 19.041 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.015 19.664 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.088 20.536 -4.921 1.00 0.00 H new ATOM 559 N VAL A 36 2.453 16.348 -3.911 1.00 0.00 N ATOM 560 CA VAL A 36 2.445 16.530 -2.409 1.00 0.00 C ATOM 561 C VAL A 36 3.508 15.543 -1.817 1.00 0.00 C ATOM 562 O VAL A 36 3.187 14.490 -1.297 1.00 0.00 O ATOM 563 CB VAL A 36 1.024 16.221 -1.865 1.00 0.00 C ATOM 564 CG1 VAL A 36 0.988 16.518 -0.354 1.00 0.00 C ATOM 565 CG2 VAL A 36 0.030 17.181 -2.498 1.00 0.00 C ATOM 0 H VAL A 36 2.414 15.370 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 36 2.694 17.552 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 36 0.782 15.181 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.007 16.303 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.720 15.893 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.225 17.568 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.971 16.970 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.304 18.206 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.043 17.057 -3.581 1.00 0.00 H new ATOM 575 N PRO A 37 4.761 15.918 -1.934 1.00 0.00 N ATOM 576 CA PRO A 37 5.904 14.943 -1.972 1.00 0.00 C ATOM 577 C PRO A 37 6.395 14.332 -0.612 1.00 0.00 C ATOM 578 O PRO A 37 5.936 14.685 0.460 1.00 0.00 O ATOM 579 CB PRO A 37 6.968 15.764 -2.700 1.00 0.00 C ATOM 580 CG PRO A 37 6.760 17.159 -2.045 1.00 0.00 C ATOM 581 CD PRO A 37 5.226 17.333 -2.050 1.00 0.00 C ATOM 0 HA PRO A 37 5.614 14.011 -2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.973 15.376 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.807 15.786 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.165 17.192 -1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.255 17.947 -2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.881 17.947 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.871 17.807 -2.965 1.00 0.00 H new ATOM 589 N PRO A 38 7.327 13.403 -0.679 1.00 0.00 N ATOM 590 CA PRO A 38 7.734 12.599 -1.882 1.00 0.00 C ATOM 591 C PRO A 38 7.056 11.193 -1.882 1.00 0.00 C ATOM 592 O PRO A 38 6.745 10.661 -0.832 1.00 0.00 O ATOM 593 CB PRO A 38 9.237 12.602 -1.712 1.00 0.00 C ATOM 594 CG PRO A 38 9.394 12.350 -0.170 1.00 0.00 C ATOM 595 CD PRO A 38 8.162 13.047 0.498 1.00 0.00 C ATOM 0 HA PRO A 38 7.427 12.986 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.716 11.821 -2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.680 13.550 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.409 11.283 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.330 12.767 0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.638 12.380 1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.453 13.927 1.072 1.00 0.00 H new ATOM 603 N HIS A 39 6.834 10.586 -3.020 1.00 0.00 N ATOM 604 CA HIS A 39 6.169 9.223 -2.977 1.00 0.00 C ATOM 605 C HIS A 39 6.883 7.924 -3.438 1.00 0.00 C ATOM 606 O HIS A 39 6.834 7.528 -4.582 1.00 0.00 O ATOM 607 CB HIS A 39 4.852 9.313 -3.753 1.00 0.00 C ATOM 608 CG HIS A 39 3.939 10.444 -3.274 1.00 0.00 C ATOM 609 ND1 HIS A 39 3.513 10.640 -2.026 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.426 11.422 -4.094 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.762 11.722 -2.113 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.720 12.159 -3.314 1.00 0.00 N ATOM 0 H HIS A 39 7.068 10.945 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 39 6.120 9.067 -1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.072 9.457 -4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.321 8.365 -3.664 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.582 11.543 -5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.250 12.179 -1.279 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.196 12.982 -3.612 1.00 0.00 H new ATOM 620 N ASN A 40 7.541 7.272 -2.527 1.00 0.00 N ATOM 621 CA ASN A 40 8.257 5.988 -2.860 1.00 0.00 C ATOM 622 C ASN A 40 7.429 4.876 -2.192 1.00 0.00 C ATOM 623 O ASN A 40 7.544 4.709 -0.993 1.00 0.00 O ATOM 624 CB ASN A 40 9.705 6.012 -2.268 1.00 0.00 C ATOM 625 CG ASN A 40 10.452 4.704 -2.546 1.00 0.00 C ATOM 626 OD1 ASN A 40 11.450 4.704 -3.340 1.00 0.00 O flip ATOM 627 ND2 ASN A 40 10.182 3.625 -2.069 1.00 0.00 N flip ATOM 0 H ASN A 40 7.621 7.566 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 40 8.348 5.838 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.260 6.846 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.656 6.182 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.398 3.535 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.739 2.806 -2.313 1.00 0.00 H new ATOM 634 N VAL A 41 6.612 4.155 -2.915 1.00 0.00 N ATOM 635 CA VAL A 41 5.852 3.088 -2.179 1.00 0.00 C ATOM 636 C VAL A 41 6.671 1.808 -2.240 1.00 0.00 C ATOM 637 O VAL A 41 6.968 1.261 -3.292 1.00 0.00 O ATOM 638 CB VAL A 41 4.430 2.851 -2.798 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.600 4.109 -2.554 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.412 2.597 -4.296 1.00 0.00 C ATOM 0 H VAL A 41 6.440 4.242 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 41 5.698 3.403 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 41 4.040 1.953 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.603 3.974 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.520 4.290 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.083 4.962 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.385 2.445 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.838 3.455 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.001 1.708 -4.521 1.00 0.00 H new ATOM 650 N VAL A 42 7.007 1.393 -1.057 1.00 0.00 N ATOM 651 CA VAL A 42 7.815 0.172 -0.794 1.00 0.00 C ATOM 652 C VAL A 42 6.890 -1.041 -0.633 1.00 0.00 C ATOM 653 O VAL A 42 5.787 -0.900 -0.154 1.00 0.00 O ATOM 654 CB VAL A 42 8.616 0.406 0.497 1.00 0.00 C ATOM 655 CG1 VAL A 42 9.477 -0.812 0.888 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.421 1.715 0.476 1.00 0.00 C ATOM 0 H VAL A 42 6.735 1.885 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 42 8.492 -0.025 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 42 7.876 0.525 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.022 -0.593 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.833 -1.677 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.186 -1.028 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.965 1.823 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.129 1.694 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.741 2.558 0.351 1.00 0.00 H new ATOM 666 N PHE A 43 7.353 -2.194 -1.027 1.00 0.00 N ATOM 667 CA PHE A 43 6.488 -3.407 -0.890 1.00 0.00 C ATOM 668 C PHE A 43 6.772 -4.224 0.375 1.00 0.00 C ATOM 669 O PHE A 43 7.850 -4.169 0.937 1.00 0.00 O ATOM 670 CB PHE A 43 6.639 -4.368 -2.109 1.00 0.00 C ATOM 671 CG PHE A 43 5.627 -4.039 -3.228 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.337 -2.753 -3.652 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.986 -5.088 -3.843 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.430 -2.531 -4.670 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.080 -4.871 -4.857 1.00 0.00 C ATOM 676 CZ PHE A 43 3.801 -3.590 -5.274 1.00 0.00 C ATOM 0 H PHE A 43 8.276 -2.352 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 43 5.475 -3.008 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.653 -4.298 -2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.495 -5.397 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.826 -1.913 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.196 -6.099 -3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.216 -1.522 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.587 -5.709 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.092 -3.419 -6.071 1.00 0.00 H new ATOM 686 N ASP A 44 5.740 -4.912 0.732 1.00 0.00 N ATOM 687 CA ASP A 44 5.569 -5.846 1.885 1.00 0.00 C ATOM 688 C ASP A 44 6.772 -6.511 2.656 1.00 0.00 C ATOM 689 O ASP A 44 6.740 -7.678 2.994 1.00 0.00 O ATOM 690 CB ASP A 44 4.545 -6.857 1.253 1.00 0.00 C ATOM 691 CG ASP A 44 4.850 -7.062 -0.229 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.843 -7.681 -0.540 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.040 -6.543 -0.967 1.00 0.00 O ATOM 0 H ASP A 44 4.880 -4.854 0.187 1.00 0.00 H new ATOM 0 HA ASP A 44 5.277 -5.278 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.595 -7.811 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.529 -6.480 1.374 1.00 0.00 H new ATOM 698 N ALA A 45 7.808 -5.781 2.965 1.00 0.00 N ATOM 699 CA ALA A 45 8.996 -6.351 3.706 1.00 0.00 C ATOM 700 C ALA A 45 8.494 -7.064 4.999 1.00 0.00 C ATOM 701 O ALA A 45 8.991 -8.056 5.501 1.00 0.00 O ATOM 702 CB ALA A 45 9.925 -5.147 3.985 1.00 0.00 C ATOM 0 H ALA A 45 7.893 -4.791 2.735 1.00 0.00 H new ATOM 0 HA ALA A 45 9.544 -7.107 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.810 -5.487 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.225 -4.693 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.395 -4.411 4.589 1.00 0.00 H new ATOM 708 N ALA A 46 7.451 -6.468 5.494 1.00 0.00 N ATOM 709 CA ALA A 46 6.764 -6.944 6.725 1.00 0.00 C ATOM 710 C ALA A 46 5.652 -8.010 6.430 1.00 0.00 C ATOM 711 O ALA A 46 5.590 -9.003 7.136 1.00 0.00 O ATOM 712 CB ALA A 46 6.218 -5.664 7.398 1.00 0.00 C ATOM 0 H ALA A 46 7.029 -5.637 5.080 1.00 0.00 H new ATOM 0 HA ALA A 46 7.448 -7.477 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.695 -5.931 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.046 -4.995 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.527 -5.163 6.720 1.00 0.00 H new ATOM 718 N LEU A 47 4.843 -7.803 5.420 1.00 0.00 N ATOM 719 CA LEU A 47 3.727 -8.770 5.057 1.00 0.00 C ATOM 720 C LEU A 47 3.766 -9.516 3.666 1.00 0.00 C ATOM 721 O LEU A 47 2.749 -9.586 3.002 1.00 0.00 O ATOM 722 CB LEU A 47 2.347 -7.995 5.145 1.00 0.00 C ATOM 723 CG LEU A 47 1.964 -7.346 6.492 1.00 0.00 C ATOM 724 CD1 LEU A 47 2.231 -8.287 7.655 1.00 0.00 C ATOM 725 CD2 LEU A 47 2.680 -6.020 6.700 1.00 0.00 C ATOM 0 H LEU A 47 4.901 -6.988 4.810 1.00 0.00 H new ATOM 0 HA LEU A 47 3.865 -9.574 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.355 -7.211 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.555 -8.692 4.873 1.00 0.00 H new ATOM 0 HG LEU A 47 0.893 -7.145 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.951 -7.800 8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.643 -9.196 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.291 -8.541 7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.385 -5.594 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.758 -6.183 6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.411 -5.332 5.899 1.00 0.00 H new ATOM 737 N ASN A 48 4.869 -10.066 3.231 1.00 0.00 N ATOM 738 CA ASN A 48 4.853 -10.774 1.888 1.00 0.00 C ATOM 739 C ASN A 48 4.942 -12.338 1.974 1.00 0.00 C ATOM 740 O ASN A 48 5.512 -12.868 2.910 1.00 0.00 O ATOM 741 CB ASN A 48 6.029 -10.167 1.070 1.00 0.00 C ATOM 742 CG ASN A 48 7.390 -10.672 1.448 1.00 0.00 C ATOM 743 OD1 ASN A 48 7.796 -11.764 1.129 1.00 0.00 O ATOM 744 ND2 ASN A 48 8.163 -9.920 2.140 1.00 0.00 N ATOM 0 H ASN A 48 5.764 -10.065 3.721 1.00 0.00 H new ATOM 0 HA ASN A 48 3.890 -10.610 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.862 -10.374 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.014 -9.084 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.091 -10.249 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.850 -8.992 2.425 1.00 0.00 H new ATOM 751 N PRO A 49 4.377 -13.029 0.998 1.00 0.00 N ATOM 752 CA PRO A 49 4.247 -14.534 1.013 1.00 0.00 C ATOM 753 C PRO A 49 5.535 -15.309 1.375 1.00 0.00 C ATOM 754 O PRO A 49 5.552 -16.181 2.220 1.00 0.00 O ATOM 755 CB PRO A 49 3.693 -14.841 -0.402 1.00 0.00 C ATOM 756 CG PRO A 49 4.092 -13.590 -1.232 1.00 0.00 C ATOM 757 CD PRO A 49 3.816 -12.445 -0.259 1.00 0.00 C ATOM 0 HA PRO A 49 3.593 -14.879 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.129 -15.751 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.613 -14.984 -0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.138 -13.621 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.499 -13.501 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.318 -11.522 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.753 -12.217 -0.174 1.00 0.00 H new ATOM 765 N ALA A 50 6.592 -14.952 0.709 1.00 0.00 N ATOM 766 CA ALA A 50 7.921 -15.605 0.942 1.00 0.00 C ATOM 767 C ALA A 50 8.777 -14.605 1.760 1.00 0.00 C ATOM 768 O ALA A 50 9.926 -14.340 1.468 1.00 0.00 O ATOM 769 CB ALA A 50 8.501 -15.910 -0.457 1.00 0.00 C ATOM 0 H ALA A 50 6.599 -14.221 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 50 7.878 -16.537 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.474 -16.389 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.825 -16.576 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.613 -14.980 -1.015 1.00 0.00 H new ATOM 775 N LYS A 51 8.115 -14.104 2.765 1.00 0.00 N ATOM 776 CA LYS A 51 8.643 -13.106 3.750 1.00 0.00 C ATOM 777 C LYS A 51 10.105 -12.592 3.577 1.00 0.00 C ATOM 778 O LYS A 51 10.989 -12.754 4.394 1.00 0.00 O ATOM 779 CB LYS A 51 8.384 -13.766 5.140 1.00 0.00 C ATOM 780 CG LYS A 51 8.762 -12.819 6.317 1.00 0.00 C ATOM 781 CD LYS A 51 8.259 -11.367 6.003 1.00 0.00 C ATOM 782 CE LYS A 51 8.245 -10.503 7.228 1.00 0.00 C ATOM 783 NZ LYS A 51 7.110 -11.027 8.047 1.00 0.00 N ATOM 0 H LYS A 51 7.149 -14.369 2.958 1.00 0.00 H new ATOM 0 HA LYS A 51 8.121 -12.161 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.332 -14.041 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.961 -14.687 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.315 -13.178 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.842 -12.817 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.902 -10.915 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.255 -11.414 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.188 -10.569 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.097 -9.454 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.357 -10.311 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.737 -11.894 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.445 -11.241 9.008 1.00 0.00 H new ATOM 797 N SER A 52 10.260 -11.953 2.460 1.00 0.00 N ATOM 798 CA SER A 52 11.559 -11.338 2.015 1.00 0.00 C ATOM 799 C SER A 52 11.663 -9.804 2.234 1.00 0.00 C ATOM 800 O SER A 52 10.703 -9.137 2.570 1.00 0.00 O ATOM 801 CB SER A 52 11.698 -11.711 0.522 1.00 0.00 C ATOM 802 OG SER A 52 12.522 -10.712 -0.070 1.00 0.00 O ATOM 0 H SER A 52 9.501 -11.819 1.792 1.00 0.00 H new ATOM 0 HA SER A 52 12.374 -11.727 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.144 -12.699 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.722 -11.745 0.038 1.00 0.00 H new ATOM 0 HG SER A 52 11.988 -9.909 -0.244 1.00 0.00 H new ATOM 808 N ALA A 53 12.843 -9.294 2.035 1.00 0.00 N ATOM 809 CA ALA A 53 13.161 -7.829 2.188 1.00 0.00 C ATOM 810 C ALA A 53 13.720 -7.417 0.800 1.00 0.00 C ATOM 811 O ALA A 53 13.277 -6.502 0.127 1.00 0.00 O ATOM 812 CB ALA A 53 14.193 -7.730 3.338 1.00 0.00 C ATOM 0 H ALA A 53 13.648 -9.856 1.758 1.00 0.00 H new ATOM 0 HA ALA A 53 12.329 -7.174 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.463 -6.686 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.759 -8.135 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.085 -8.300 3.077 1.00 0.00 H new ATOM 818 N ASP A 54 14.715 -8.174 0.459 1.00 0.00 N ATOM 819 CA ASP A 54 15.485 -8.087 -0.808 1.00 0.00 C ATOM 820 C ASP A 54 14.464 -7.925 -1.978 1.00 0.00 C ATOM 821 O ASP A 54 14.488 -6.960 -2.721 1.00 0.00 O ATOM 822 CB ASP A 54 16.324 -9.407 -0.757 1.00 0.00 C ATOM 823 CG ASP A 54 15.406 -10.569 -0.458 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.165 -10.788 0.714 1.00 0.00 O ATOM 825 OD2 ASP A 54 14.956 -11.174 -1.403 1.00 0.00 O ATOM 0 H ASP A 54 15.054 -8.919 1.068 1.00 0.00 H new ATOM 0 HA ASP A 54 16.158 -7.242 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.833 -9.565 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.096 -9.332 0.009 1.00 0.00 H new ATOM 830 N LEU A 55 13.572 -8.871 -2.092 1.00 0.00 N ATOM 831 CA LEU A 55 12.526 -8.848 -3.162 1.00 0.00 C ATOM 832 C LEU A 55 11.649 -7.614 -2.877 1.00 0.00 C ATOM 833 O LEU A 55 11.592 -6.703 -3.681 1.00 0.00 O ATOM 834 CB LEU A 55 11.765 -10.204 -3.050 1.00 0.00 C ATOM 835 CG LEU A 55 10.630 -10.452 -4.093 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.450 -9.485 -3.916 1.00 0.00 C ATOM 837 CD2 LEU A 55 11.162 -10.261 -5.509 1.00 0.00 C ATOM 0 H LEU A 55 13.521 -9.681 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 55 12.902 -8.760 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.492 -11.012 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.332 -10.271 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 55 10.286 -11.473 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.688 -9.699 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.024 -9.609 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.799 -8.459 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.360 -10.437 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.534 -9.243 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.973 -10.966 -5.691 1.00 0.00 H new ATOM 849 N ALA A 56 11.000 -7.622 -1.741 1.00 0.00 N ATOM 850 CA ALA A 56 10.101 -6.490 -1.306 1.00 0.00 C ATOM 851 C ALA A 56 10.580 -5.110 -1.878 1.00 0.00 C ATOM 852 O ALA A 56 9.852 -4.357 -2.499 1.00 0.00 O ATOM 853 CB ALA A 56 10.091 -6.553 0.242 1.00 0.00 C ATOM 0 H ALA A 56 11.053 -8.388 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 56 9.089 -6.591 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.457 -5.758 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.703 -7.519 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.106 -6.426 0.618 1.00 0.00 H new ATOM 859 N LYS A 57 11.823 -4.772 -1.671 1.00 0.00 N ATOM 860 CA LYS A 57 12.367 -3.460 -2.200 1.00 0.00 C ATOM 861 C LYS A 57 12.917 -3.592 -3.637 1.00 0.00 C ATOM 862 O LYS A 57 12.724 -2.693 -4.444 1.00 0.00 O ATOM 863 CB LYS A 57 13.469 -2.978 -1.200 1.00 0.00 C ATOM 864 CG LYS A 57 12.872 -2.058 -0.094 1.00 0.00 C ATOM 865 CD LYS A 57 13.178 -0.543 -0.427 1.00 0.00 C ATOM 866 CE LYS A 57 12.589 -0.066 -1.760 1.00 0.00 C ATOM 867 NZ LYS A 57 11.158 0.293 -1.541 1.00 0.00 N ATOM 0 H LYS A 57 12.497 -5.340 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 57 11.565 -2.725 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.946 -3.842 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.245 -2.439 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.795 -2.213 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.296 -2.319 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.786 0.081 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.258 -0.397 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.143 0.795 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.672 -0.849 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.893 1.070 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.559 -0.534 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.023 0.594 -0.555 1.00 0.00 H new ATOM 881 N SER A 58 13.591 -4.671 -3.942 1.00 0.00 N ATOM 882 CA SER A 58 14.142 -4.877 -5.342 1.00 0.00 C ATOM 883 C SER A 58 12.976 -4.587 -6.306 1.00 0.00 C ATOM 884 O SER A 58 13.104 -4.057 -7.391 1.00 0.00 O ATOM 885 CB SER A 58 14.605 -6.323 -5.517 1.00 0.00 C ATOM 886 OG SER A 58 15.062 -6.318 -6.868 1.00 0.00 O ATOM 0 H SER A 58 13.791 -5.428 -3.289 1.00 0.00 H new ATOM 0 HA SER A 58 14.996 -4.227 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.398 -6.586 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.794 -7.034 -5.362 1.00 0.00 H new ATOM 0 HG SER A 58 15.393 -7.210 -7.105 1.00 0.00 H new ATOM 892 N LEU A 59 11.826 -4.961 -5.817 1.00 0.00 N ATOM 893 CA LEU A 59 10.521 -4.800 -6.511 1.00 0.00 C ATOM 894 C LEU A 59 9.891 -3.392 -6.258 1.00 0.00 C ATOM 895 O LEU A 59 9.884 -2.604 -7.187 1.00 0.00 O ATOM 896 CB LEU A 59 9.641 -5.959 -5.984 1.00 0.00 C ATOM 897 CG LEU A 59 8.222 -5.950 -6.572 1.00 0.00 C ATOM 898 CD1 LEU A 59 8.268 -6.220 -8.076 1.00 0.00 C ATOM 899 CD2 LEU A 59 7.464 -7.103 -5.927 1.00 0.00 C ATOM 0 H LEU A 59 11.739 -5.401 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 59 10.626 -4.849 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.121 -6.909 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.579 -5.896 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 59 7.753 -4.983 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.255 -6.211 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.861 -5.448 -8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.721 -7.195 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.447 -7.134 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.968 -8.042 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.434 -6.959 -4.847 1.00 0.00 H new ATOM 911 N SER A 60 9.410 -3.043 -5.079 1.00 0.00 N ATOM 912 CA SER A 60 8.804 -1.665 -4.920 1.00 0.00 C ATOM 913 C SER A 60 9.650 -0.415 -5.255 1.00 0.00 C ATOM 914 O SER A 60 10.789 -0.510 -5.665 1.00 0.00 O ATOM 915 CB SER A 60 8.337 -1.603 -3.522 1.00 0.00 C ATOM 916 OG SER A 60 9.515 -1.653 -2.714 1.00 0.00 O ATOM 0 H SER A 60 9.408 -3.628 -4.244 1.00 0.00 H new ATOM 0 HA SER A 60 8.032 -1.592 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.775 -0.687 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.672 -2.436 -3.295 1.00 0.00 H new ATOM 0 HG SER A 60 9.732 -2.587 -2.510 1.00 0.00 H new ATOM 922 N HIS A 61 9.107 0.761 -5.074 1.00 0.00 N ATOM 923 CA HIS A 61 9.894 2.005 -5.396 1.00 0.00 C ATOM 924 C HIS A 61 11.293 2.060 -4.748 1.00 0.00 C ATOM 925 O HIS A 61 11.509 1.625 -3.636 1.00 0.00 O ATOM 926 CB HIS A 61 9.045 3.223 -4.967 1.00 0.00 C ATOM 927 CG HIS A 61 7.887 3.331 -5.932 1.00 0.00 C ATOM 928 ND1 HIS A 61 6.867 2.557 -5.919 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.660 4.185 -6.986 1.00 0.00 C ATOM 930 CE1 HIS A 61 6.057 2.884 -6.882 1.00 0.00 C ATOM 931 NE2 HIS A 61 6.517 3.896 -7.569 1.00 0.00 N ATOM 0 H HIS A 61 8.163 0.921 -4.721 1.00 0.00 H new ATOM 0 HA HIS A 61 10.088 2.007 -6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.683 3.098 -3.946 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.644 4.133 -4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.325 4.979 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.123 2.383 -7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.088 4.356 -8.372 1.00 0.00 H new ATOM 939 N LYS A 62 12.222 2.608 -5.470 1.00 0.00 N ATOM 940 CA LYS A 62 13.639 2.729 -4.976 1.00 0.00 C ATOM 941 C LYS A 62 14.159 4.171 -4.808 1.00 0.00 C ATOM 942 O LYS A 62 14.889 4.445 -3.882 1.00 0.00 O ATOM 943 CB LYS A 62 14.465 1.890 -5.978 1.00 0.00 C ATOM 944 CG LYS A 62 14.155 0.370 -5.666 1.00 0.00 C ATOM 945 CD LYS A 62 14.577 -0.589 -6.825 1.00 0.00 C ATOM 946 CE LYS A 62 13.455 -0.813 -7.855 1.00 0.00 C ATOM 947 NZ LYS A 62 12.384 -1.628 -7.209 1.00 0.00 N ATOM 0 H LYS A 62 12.067 2.989 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 62 13.721 2.361 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.194 2.137 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.530 2.097 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.675 0.079 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.088 0.254 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.451 -0.178 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.875 -1.550 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.054 0.142 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.844 -1.325 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.246 -2.508 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.663 -1.858 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.496 -1.087 -7.196 1.00 0.00 H new ATOM 961 N GLN A 63 13.777 5.054 -5.685 1.00 0.00 N ATOM 962 CA GLN A 63 14.243 6.479 -5.578 1.00 0.00 C ATOM 963 C GLN A 63 13.091 7.420 -5.085 1.00 0.00 C ATOM 964 O GLN A 63 11.982 6.967 -4.877 1.00 0.00 O ATOM 965 CB GLN A 63 14.772 6.858 -6.984 1.00 0.00 C ATOM 966 CG GLN A 63 16.026 5.963 -7.304 1.00 0.00 C ATOM 967 CD GLN A 63 16.494 6.162 -8.734 1.00 0.00 C ATOM 968 OE1 GLN A 63 15.788 5.911 -9.678 1.00 0.00 O ATOM 969 NE2 GLN A 63 17.670 6.607 -8.987 1.00 0.00 N ATOM 0 H GLN A 63 13.162 4.859 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 63 15.031 6.594 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.996 6.705 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.042 7.914 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.836 6.208 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.778 4.914 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.305 6.834 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.970 6.734 -9.954 1.00 0.00 H new ATOM 978 N LEU A 64 13.333 8.687 -4.901 1.00 0.00 N ATOM 979 CA LEU A 64 12.253 9.625 -4.425 1.00 0.00 C ATOM 980 C LEU A 64 11.321 10.202 -5.533 1.00 0.00 C ATOM 981 O LEU A 64 11.687 11.088 -6.282 1.00 0.00 O ATOM 982 CB LEU A 64 12.990 10.746 -3.666 1.00 0.00 C ATOM 983 CG LEU A 64 13.553 10.315 -2.288 1.00 0.00 C ATOM 984 CD1 LEU A 64 12.407 10.257 -1.274 1.00 0.00 C ATOM 985 CD2 LEU A 64 14.216 8.935 -2.286 1.00 0.00 C ATOM 0 H LEU A 64 14.240 9.127 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 64 11.555 9.069 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.811 11.109 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.306 11.582 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 64 14.312 11.055 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.796 9.954 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.946 11.241 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.662 9.534 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.583 8.709 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.488 8.181 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.050 8.931 -2.988 1.00 0.00 H new ATOM 997 N LEU A 65 10.123 9.687 -5.620 1.00 0.00 N ATOM 998 CA LEU A 65 9.170 10.195 -6.666 1.00 0.00 C ATOM 999 C LEU A 65 8.747 11.673 -6.370 1.00 0.00 C ATOM 1000 O LEU A 65 7.818 11.939 -5.628 1.00 0.00 O ATOM 1001 CB LEU A 65 7.939 9.247 -6.680 1.00 0.00 C ATOM 1002 CG LEU A 65 7.187 9.219 -8.039 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.046 10.610 -8.661 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.961 8.336 -9.020 1.00 0.00 C ATOM 0 H LEU A 65 9.761 8.945 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 65 9.649 10.199 -7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.267 8.237 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.246 9.555 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 65 6.187 8.829 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.513 10.532 -9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.489 11.257 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.035 11.033 -8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.439 8.311 -9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.962 8.742 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.034 7.325 -8.620 1.00 0.00 H new ATOM 1016 N MET A 66 9.487 12.564 -6.972 1.00 0.00 N ATOM 1017 CA MET A 66 9.282 14.060 -6.851 1.00 0.00 C ATOM 1018 C MET A 66 8.705 14.720 -8.138 1.00 0.00 C ATOM 1019 O MET A 66 8.976 15.846 -8.501 1.00 0.00 O ATOM 1020 CB MET A 66 10.630 14.656 -6.532 1.00 0.00 C ATOM 1021 CG MET A 66 11.066 14.314 -5.105 1.00 0.00 C ATOM 1022 SD MET A 66 10.009 14.989 -3.804 1.00 0.00 S ATOM 1023 CE MET A 66 10.743 16.641 -3.710 1.00 0.00 C ATOM 0 H MET A 66 10.269 12.313 -7.577 1.00 0.00 H new ATOM 0 HA MET A 66 8.543 14.249 -6.072 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.371 14.284 -7.240 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.589 15.739 -6.652 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.098 13.229 -5.001 1.00 0.00 H new ATOM 0 HG3 MET A 66 12.082 14.679 -4.954 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.224 17.227 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.797 16.556 -3.445 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.651 17.136 -4.677 1.00 0.00 H new ATOM 1033 N SER A 67 7.908 13.955 -8.802 1.00 0.00 N ATOM 1034 CA SER A 67 7.232 14.395 -10.086 1.00 0.00 C ATOM 1035 C SER A 67 5.696 14.502 -9.990 1.00 0.00 C ATOM 1036 O SER A 67 5.106 13.988 -9.064 1.00 0.00 O ATOM 1037 CB SER A 67 7.528 13.398 -11.183 1.00 0.00 C ATOM 1038 OG SER A 67 8.945 13.362 -11.339 1.00 0.00 O ATOM 0 H SER A 67 7.674 13.004 -8.516 1.00 0.00 H new ATOM 0 HA SER A 67 7.631 15.388 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.143 12.412 -10.923 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.044 13.693 -12.114 1.00 0.00 H new ATOM 0 HG SER A 67 9.290 12.511 -10.998 1.00 0.00 H new ATOM 1044 N PRO A 68 5.062 15.147 -10.938 1.00 0.00 N ATOM 1045 CA PRO A 68 3.621 14.857 -11.226 1.00 0.00 C ATOM 1046 C PRO A 68 3.420 13.426 -11.822 1.00 0.00 C ATOM 1047 O PRO A 68 4.372 12.730 -12.107 1.00 0.00 O ATOM 1048 CB PRO A 68 3.243 16.008 -12.171 1.00 0.00 C ATOM 1049 CG PRO A 68 4.575 16.215 -12.953 1.00 0.00 C ATOM 1050 CD PRO A 68 5.628 16.202 -11.830 1.00 0.00 C ATOM 0 HA PRO A 68 2.978 14.827 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.417 15.743 -12.831 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.943 16.904 -11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.747 15.420 -13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.580 17.156 -13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.622 15.945 -12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.712 17.167 -11.329 1.00 0.00 H new ATOM 1058 N GLY A 69 2.185 13.037 -11.973 1.00 0.00 N ATOM 1059 CA GLY A 69 1.733 11.694 -12.539 1.00 0.00 C ATOM 1060 C GLY A 69 2.683 10.653 -13.177 1.00 0.00 C ATOM 1061 O GLY A 69 2.384 10.179 -14.251 1.00 0.00 O ATOM 0 H GLY A 69 1.399 13.632 -11.711 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.222 11.179 -11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.981 11.921 -13.295 1.00 0.00 H new ATOM 1065 N GLN A 70 3.774 10.302 -12.555 1.00 0.00 N ATOM 1066 CA GLN A 70 4.726 9.275 -13.142 1.00 0.00 C ATOM 1067 C GLN A 70 4.065 7.873 -13.276 1.00 0.00 C ATOM 1068 O GLN A 70 4.330 6.967 -12.510 1.00 0.00 O ATOM 1069 CB GLN A 70 5.976 9.190 -12.220 1.00 0.00 C ATOM 1070 CG GLN A 70 6.806 10.505 -12.305 1.00 0.00 C ATOM 1071 CD GLN A 70 7.593 10.668 -13.595 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.383 10.021 -14.591 1.00 0.00 O ATOM 1073 NE2 GLN A 70 8.535 11.542 -13.641 1.00 0.00 N ATOM 0 H GLN A 70 4.063 10.679 -11.653 1.00 0.00 H new ATOM 0 HA GLN A 70 5.005 9.590 -14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.665 9.015 -11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.595 8.342 -12.514 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.131 11.354 -12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.499 10.538 -11.464 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.744 12.110 -12.820 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.073 11.667 -14.499 1.00 0.00 H new ATOM 1082 N SER A 71 3.207 7.723 -14.245 1.00 0.00 N ATOM 1083 CA SER A 71 2.512 6.400 -14.449 1.00 0.00 C ATOM 1084 C SER A 71 3.447 5.222 -14.781 1.00 0.00 C ATOM 1085 O SER A 71 3.658 4.825 -15.910 1.00 0.00 O ATOM 1086 CB SER A 71 1.479 6.518 -15.577 1.00 0.00 C ATOM 1087 OG SER A 71 0.603 5.452 -15.218 1.00 0.00 O ATOM 0 H SER A 71 2.950 8.453 -14.910 1.00 0.00 H new ATOM 0 HA SER A 71 2.047 6.177 -13.488 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.978 7.486 -15.584 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.921 6.381 -16.564 1.00 0.00 H new ATOM 0 HG SER A 71 0.439 4.886 -16.001 1.00 0.00 H new ATOM 1093 N THR A 72 4.014 4.699 -13.737 1.00 0.00 N ATOM 1094 CA THR A 72 4.958 3.528 -13.843 1.00 0.00 C ATOM 1095 C THR A 72 4.234 2.317 -13.254 1.00 0.00 C ATOM 1096 O THR A 72 3.452 2.481 -12.333 1.00 0.00 O ATOM 1097 CB THR A 72 6.236 3.824 -13.045 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.968 2.617 -13.149 1.00 0.00 O ATOM 1099 CG2 THR A 72 6.018 3.926 -11.539 1.00 0.00 C ATOM 0 H THR A 72 3.867 5.034 -12.785 1.00 0.00 H new ATOM 0 HA THR A 72 5.242 3.340 -14.878 1.00 0.00 H new ATOM 0 HB THR A 72 6.670 4.751 -13.419 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.816 2.706 -12.666 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.968 4.137 -11.047 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.313 4.730 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.617 2.984 -11.165 1.00 0.00 H new ATOM 1107 N SER A 73 4.475 1.139 -13.752 1.00 0.00 N ATOM 1108 CA SER A 73 3.763 -0.068 -13.187 1.00 0.00 C ATOM 1109 C SER A 73 4.598 -1.124 -12.476 1.00 0.00 C ATOM 1110 O SER A 73 5.808 -1.168 -12.537 1.00 0.00 O ATOM 1111 CB SER A 73 3.002 -0.796 -14.318 1.00 0.00 C ATOM 1112 OG SER A 73 4.005 -1.536 -15.027 1.00 0.00 O ATOM 0 H SER A 73 5.123 0.947 -14.516 1.00 0.00 H new ATOM 0 HA SER A 73 3.128 0.372 -12.418 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.235 -1.458 -13.915 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.498 -0.086 -14.974 1.00 0.00 H new ATOM 0 HG SER A 73 3.693 -2.454 -15.172 1.00 0.00 H new ATOM 1118 N THR A 74 3.906 -1.977 -11.783 1.00 0.00 N ATOM 1119 CA THR A 74 4.604 -3.091 -11.039 1.00 0.00 C ATOM 1120 C THR A 74 4.189 -4.416 -11.685 1.00 0.00 C ATOM 1121 O THR A 74 3.809 -5.353 -11.020 1.00 0.00 O ATOM 1122 CB THR A 74 4.192 -3.098 -9.549 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.476 -1.794 -9.079 1.00 0.00 O ATOM 1124 CG2 THR A 74 5.206 -3.842 -8.710 1.00 0.00 C ATOM 0 H THR A 74 2.890 -1.964 -11.691 1.00 0.00 H new ATOM 0 HA THR A 74 5.683 -2.948 -11.092 1.00 0.00 H new ATOM 0 HB THR A 74 3.176 -3.486 -9.480 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.640 -1.346 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.892 -3.832 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.279 -4.873 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.179 -3.358 -8.801 1.00 0.00 H new ATOM 1132 N THR A 75 4.267 -4.454 -12.990 1.00 0.00 N ATOM 1133 CA THR A 75 3.896 -5.699 -13.789 1.00 0.00 C ATOM 1134 C THR A 75 4.650 -6.964 -13.314 1.00 0.00 C ATOM 1135 O THR A 75 5.630 -7.374 -13.909 1.00 0.00 O ATOM 1136 CB THR A 75 4.217 -5.514 -15.299 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.657 -4.283 -15.743 1.00 0.00 O ATOM 1138 CG2 THR A 75 3.398 -6.463 -16.141 1.00 0.00 C ATOM 0 H THR A 75 4.576 -3.668 -13.561 1.00 0.00 H new ATOM 0 HA THR A 75 2.826 -5.833 -13.629 1.00 0.00 H new ATOM 0 HB THR A 75 5.297 -5.625 -15.395 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.909 -4.464 -16.349 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.639 -6.316 -17.194 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.625 -7.490 -15.857 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.337 -6.269 -15.981 1.00 0.00 H new ATOM 1146 N PHE A 76 4.187 -7.536 -12.240 1.00 0.00 N ATOM 1147 CA PHE A 76 4.799 -8.773 -11.639 1.00 0.00 C ATOM 1148 C PHE A 76 5.302 -9.847 -12.663 1.00 0.00 C ATOM 1149 O PHE A 76 4.531 -10.342 -13.463 1.00 0.00 O ATOM 1150 CB PHE A 76 3.732 -9.356 -10.679 1.00 0.00 C ATOM 1151 CG PHE A 76 3.341 -8.248 -9.707 1.00 0.00 C ATOM 1152 CD1 PHE A 76 4.175 -7.897 -8.670 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.152 -7.578 -9.876 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.825 -6.883 -7.806 1.00 0.00 C ATOM 1155 CE2 PHE A 76 1.800 -6.567 -9.016 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.634 -6.215 -7.979 1.00 0.00 C ATOM 0 H PHE A 76 3.377 -7.189 -11.727 1.00 0.00 H new ATOM 0 HA PHE A 76 5.717 -8.488 -11.125 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.862 -9.702 -11.237 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.129 -10.217 -10.141 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.110 -8.420 -8.533 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.493 -7.848 -10.688 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.484 -6.613 -6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.864 -6.046 -9.154 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.355 -5.419 -7.305 1.00 0.00 H new ATOM 1166 N PRO A 77 6.572 -10.182 -12.609 1.00 0.00 N ATOM 1167 CA PRO A 77 7.236 -10.991 -13.682 1.00 0.00 C ATOM 1168 C PRO A 77 6.770 -12.473 -13.810 1.00 0.00 C ATOM 1169 O PRO A 77 5.973 -12.961 -13.044 1.00 0.00 O ATOM 1170 CB PRO A 77 8.725 -10.836 -13.329 1.00 0.00 C ATOM 1171 CG PRO A 77 8.659 -10.793 -11.780 1.00 0.00 C ATOM 1172 CD PRO A 77 7.513 -9.832 -11.507 1.00 0.00 C ATOM 0 HA PRO A 77 6.975 -10.633 -14.678 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.324 -11.671 -13.693 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.156 -9.927 -13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.467 -11.779 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.594 -10.438 -11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.071 -9.988 -10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.830 -8.790 -11.552 1.00 0.00 H new ATOM 1180 N ALA A 78 7.306 -13.125 -14.810 1.00 0.00 N ATOM 1181 CA ALA A 78 7.038 -14.575 -15.165 1.00 0.00 C ATOM 1182 C ALA A 78 6.569 -15.584 -14.055 1.00 0.00 C ATOM 1183 O ALA A 78 5.900 -16.557 -14.343 1.00 0.00 O ATOM 1184 CB ALA A 78 8.343 -15.056 -15.842 1.00 0.00 C ATOM 0 H ALA A 78 7.969 -12.684 -15.447 1.00 0.00 H new ATOM 0 HA ALA A 78 6.143 -14.579 -15.788 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.238 -16.101 -16.133 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.538 -14.451 -16.727 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.174 -14.956 -15.143 1.00 0.00 H new ATOM 1190 N ASP A 79 6.959 -15.295 -12.855 1.00 0.00 N ATOM 1191 CA ASP A 79 6.658 -16.087 -11.623 1.00 0.00 C ATOM 1192 C ASP A 79 5.344 -15.670 -10.880 1.00 0.00 C ATOM 1193 O ASP A 79 4.643 -16.503 -10.334 1.00 0.00 O ATOM 1194 CB ASP A 79 7.949 -15.902 -10.781 1.00 0.00 C ATOM 1195 CG ASP A 79 8.234 -14.418 -10.651 1.00 0.00 C ATOM 1196 OD1 ASP A 79 7.632 -13.798 -9.796 1.00 0.00 O ATOM 1197 OD2 ASP A 79 9.045 -13.992 -11.451 1.00 0.00 O ATOM 0 H ASP A 79 7.524 -14.469 -12.658 1.00 0.00 H new ATOM 0 HA ASP A 79 6.437 -17.131 -11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.825 -16.351 -9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.788 -16.408 -11.259 1.00 0.00 H new ATOM 1202 N ALA A 80 5.085 -14.394 -10.907 1.00 0.00 N ATOM 1203 CA ALA A 80 3.899 -13.728 -10.269 1.00 0.00 C ATOM 1204 C ALA A 80 3.131 -14.546 -9.167 1.00 0.00 C ATOM 1205 O ALA A 80 1.942 -14.799 -9.269 1.00 0.00 O ATOM 1206 CB ALA A 80 2.997 -13.333 -11.467 1.00 0.00 C ATOM 0 H ALA A 80 5.696 -13.730 -11.384 1.00 0.00 H new ATOM 0 HA ALA A 80 4.235 -12.879 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.099 -12.837 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.542 -12.656 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.715 -14.228 -12.021 1.00 0.00 H new ATOM 1212 N PRO A 81 3.845 -14.929 -8.129 1.00 0.00 N ATOM 1213 CA PRO A 81 3.256 -15.712 -6.998 1.00 0.00 C ATOM 1214 C PRO A 81 2.100 -14.990 -6.250 1.00 0.00 C ATOM 1215 O PRO A 81 1.877 -13.807 -6.407 1.00 0.00 O ATOM 1216 CB PRO A 81 4.494 -16.012 -6.121 1.00 0.00 C ATOM 1217 CG PRO A 81 5.387 -14.765 -6.396 1.00 0.00 C ATOM 1218 CD PRO A 81 5.298 -14.640 -7.921 1.00 0.00 C ATOM 0 HA PRO A 81 2.744 -16.615 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.235 -16.105 -5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.986 -16.940 -6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.012 -13.875 -5.891 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.412 -14.915 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.579 -13.648 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.941 -15.354 -8.435 1.00 0.00 H new ATOM 1226 N ALA A 82 1.408 -15.727 -5.428 1.00 0.00 N ATOM 1227 CA ALA A 82 0.266 -15.133 -4.658 1.00 0.00 C ATOM 1228 C ALA A 82 0.591 -14.739 -3.197 1.00 0.00 C ATOM 1229 O ALA A 82 1.651 -15.007 -2.658 1.00 0.00 O ATOM 1230 CB ALA A 82 -0.876 -16.176 -4.740 1.00 0.00 C ATOM 0 H ALA A 82 1.579 -16.717 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.009 -14.176 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.746 -15.807 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.143 -16.341 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.544 -17.115 -4.297 1.00 0.00 H new ATOM 1236 N GLY A 83 -0.372 -14.099 -2.614 1.00 0.00 N ATOM 1237 CA GLY A 83 -0.317 -13.599 -1.202 1.00 0.00 C ATOM 1238 C GLY A 83 -0.530 -12.084 -1.123 1.00 0.00 C ATOM 1239 O GLY A 83 -0.254 -11.333 -2.033 1.00 0.00 O ATOM 0 H GLY A 83 -1.253 -13.885 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.079 -14.104 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.648 -13.853 -0.764 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.006 -11.691 0.012 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.322 -10.266 0.391 1.00 0.00 C ATOM 1245 C GLU A 84 -0.287 -9.116 0.136 1.00 0.00 C ATOM 1246 O GLU A 84 0.078 -8.404 1.060 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.726 -10.405 1.892 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.259 -10.667 1.958 1.00 0.00 C ATOM 1249 CD GLU A 84 -3.954 -9.341 1.936 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -4.172 -8.817 0.864 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -4.201 -8.883 3.031 1.00 0.00 O ATOM 0 H GLU A 84 -1.210 -12.348 0.765 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.084 -9.891 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.179 -11.224 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.471 -9.498 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.578 -11.279 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.514 -11.216 2.865 1.00 0.00 H new ATOM 1258 N TYR A 85 0.157 -8.909 -1.080 1.00 0.00 N ATOM 1259 CA TYR A 85 1.162 -7.803 -1.340 1.00 0.00 C ATOM 1260 C TYR A 85 0.682 -6.476 -0.697 1.00 0.00 C ATOM 1261 O TYR A 85 -0.452 -6.065 -0.838 1.00 0.00 O ATOM 1262 CB TYR A 85 1.346 -7.557 -2.860 1.00 0.00 C ATOM 1263 CG TYR A 85 1.940 -8.719 -3.668 1.00 0.00 C ATOM 1264 CD1 TYR A 85 2.144 -9.990 -3.170 1.00 0.00 C ATOM 1265 CD2 TYR A 85 2.285 -8.463 -4.978 1.00 0.00 C ATOM 1266 CE1 TYR A 85 2.684 -10.977 -3.979 1.00 0.00 C ATOM 1267 CE2 TYR A 85 2.822 -9.452 -5.771 1.00 0.00 C ATOM 1268 CZ TYR A 85 3.021 -10.703 -5.276 1.00 0.00 C ATOM 1269 OH TYR A 85 3.556 -11.662 -6.097 1.00 0.00 O ATOM 0 H TYR A 85 -0.122 -9.445 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 85 2.109 -8.119 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.375 -7.305 -3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.988 -6.686 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.882 -10.216 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.132 -7.475 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.840 -11.969 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.087 -9.233 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 85 2.989 -12.461 -6.080 1.00 0.00 H new ATOM 1279 N THR A 86 1.561 -5.829 -0.002 1.00 0.00 N ATOM 1280 CA THR A 86 1.232 -4.531 0.686 1.00 0.00 C ATOM 1281 C THR A 86 2.276 -3.433 0.434 1.00 0.00 C ATOM 1282 O THR A 86 3.407 -3.513 0.870 1.00 0.00 O ATOM 1283 CB THR A 86 1.098 -4.811 2.188 1.00 0.00 C ATOM 1284 OG1 THR A 86 0.033 -5.757 2.285 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.450 -3.627 2.890 1.00 0.00 C ATOM 0 H THR A 86 2.523 -6.142 0.130 1.00 0.00 H new ATOM 0 HA THR A 86 0.298 -4.151 0.273 1.00 0.00 H new ATOM 0 HB THR A 86 2.074 -5.079 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.331 -6.623 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.361 -3.840 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.065 -2.738 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.541 -3.453 2.471 1.00 0.00 H new ATOM 1293 N PHE A 87 1.866 -2.408 -0.258 1.00 0.00 N ATOM 1294 CA PHE A 87 2.754 -1.259 -0.598 1.00 0.00 C ATOM 1295 C PHE A 87 2.495 0.076 0.121 1.00 0.00 C ATOM 1296 O PHE A 87 1.454 0.682 0.003 1.00 0.00 O ATOM 1297 CB PHE A 87 2.695 -1.044 -2.114 1.00 0.00 C ATOM 1298 CG PHE A 87 1.333 -1.336 -2.685 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.020 -2.626 -3.022 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.419 -0.342 -2.864 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.208 -2.922 -3.538 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.814 -0.626 -3.383 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.141 -1.922 -3.726 1.00 0.00 C ATOM 0 H PHE A 87 0.915 -2.316 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 87 3.740 -1.551 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.968 -0.014 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.433 -1.684 -2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.747 -3.411 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.669 0.674 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.451 -3.941 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.534 0.166 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.114 -2.151 -4.136 1.00 0.00 H new ATOM 1313 N TYR A 88 3.474 0.498 0.857 1.00 0.00 N ATOM 1314 CA TYR A 88 3.424 1.768 1.641 1.00 0.00 C ATOM 1315 C TYR A 88 4.407 2.893 1.223 1.00 0.00 C ATOM 1316 O TYR A 88 5.552 2.651 0.907 1.00 0.00 O ATOM 1317 CB TYR A 88 3.628 1.332 3.127 1.00 0.00 C ATOM 1318 CG TYR A 88 4.678 0.213 3.179 1.00 0.00 C ATOM 1319 CD1 TYR A 88 4.259 -1.089 3.035 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.020 0.464 3.339 1.00 0.00 C ATOM 1321 CE1 TYR A 88 5.167 -2.123 3.049 1.00 0.00 C ATOM 1322 CE2 TYR A 88 6.929 -0.581 3.353 1.00 0.00 C ATOM 1323 CZ TYR A 88 6.503 -1.880 3.208 1.00 0.00 C ATOM 1324 OH TYR A 88 7.380 -2.942 3.220 1.00 0.00 O ATOM 0 H TYR A 88 4.354 -0.008 0.955 1.00 0.00 H new ATOM 0 HA TYR A 88 2.466 2.253 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.953 2.182 3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.686 0.984 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.208 -1.302 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.367 1.480 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.820 -3.139 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 88 7.981 -0.374 3.479 1.00 0.00 H new ATOM 0 HH TYR A 88 7.773 -3.052 2.329 1.00 0.00 H new ATOM 1334 N CYS A 89 3.945 4.109 1.235 1.00 0.00 N ATOM 1335 CA CYS A 89 4.822 5.277 0.843 1.00 0.00 C ATOM 1336 C CYS A 89 5.635 5.863 2.028 1.00 0.00 C ATOM 1337 O CYS A 89 5.361 6.953 2.478 1.00 0.00 O ATOM 1338 CB CYS A 89 3.905 6.353 0.235 1.00 0.00 C ATOM 1339 SG CYS A 89 4.650 7.849 -0.450 1.00 0.00 S ATOM 0 H CYS A 89 2.992 4.360 1.499 1.00 0.00 H new ATOM 0 HA CYS A 89 5.566 4.929 0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.324 5.881 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.200 6.660 1.007 1.00 0.00 H new ATOM 1344 N GLU A 90 6.602 5.130 2.494 1.00 0.00 N ATOM 1345 CA GLU A 90 7.501 5.536 3.644 1.00 0.00 C ATOM 1346 C GLU A 90 7.405 6.957 4.317 1.00 0.00 C ATOM 1347 O GLU A 90 7.137 7.002 5.503 1.00 0.00 O ATOM 1348 CB GLU A 90 8.948 5.253 3.136 1.00 0.00 C ATOM 1349 CG GLU A 90 9.140 3.702 3.025 1.00 0.00 C ATOM 1350 CD GLU A 90 9.121 3.033 4.374 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.154 3.030 5.007 1.00 0.00 O ATOM 1352 OE2 GLU A 90 8.071 2.554 4.753 1.00 0.00 O ATOM 0 H GLU A 90 6.829 4.212 2.112 1.00 0.00 H new ATOM 0 HA GLU A 90 7.148 4.951 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.109 5.725 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.681 5.677 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.350 3.283 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.086 3.489 2.528 1.00 0.00 H new ATOM 1359 N PRO A 91 7.616 8.060 3.625 1.00 0.00 N ATOM 1360 CA PRO A 91 7.339 9.442 4.172 1.00 0.00 C ATOM 1361 C PRO A 91 5.869 9.660 4.632 1.00 0.00 C ATOM 1362 O PRO A 91 5.562 10.268 5.633 1.00 0.00 O ATOM 1363 CB PRO A 91 7.782 10.357 3.015 1.00 0.00 C ATOM 1364 CG PRO A 91 7.564 9.451 1.769 1.00 0.00 C ATOM 1365 CD PRO A 91 8.130 8.105 2.229 1.00 0.00 C ATOM 0 HA PRO A 91 7.876 9.646 5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.184 11.267 2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.823 10.665 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.510 9.377 1.502 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.089 9.833 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.766 7.274 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.219 8.076 2.187 1.00 0.00 H new ATOM 1373 N HIS A 92 4.993 9.121 3.842 1.00 0.00 N ATOM 1374 CA HIS A 92 3.498 9.179 4.048 1.00 0.00 C ATOM 1375 C HIS A 92 3.004 7.775 4.538 1.00 0.00 C ATOM 1376 O HIS A 92 1.856 7.398 4.400 1.00 0.00 O ATOM 1377 CB HIS A 92 2.870 9.545 2.687 1.00 0.00 C ATOM 1378 CG HIS A 92 3.578 10.729 2.020 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.706 10.809 0.704 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.154 11.841 2.618 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.342 11.944 0.505 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.598 12.535 1.617 1.00 0.00 N ATOM 0 H HIS A 92 5.259 8.606 3.003 1.00 0.00 H new ATOM 0 HA HIS A 92 3.214 9.919 4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.912 8.680 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.817 9.787 2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.218 12.074 3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.614 12.329 -0.467 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.084 13.428 1.701 1.00 0.00 H new ATOM 1390 N ARG A 93 3.956 7.078 5.095 1.00 0.00 N ATOM 1391 CA ARG A 93 3.860 5.693 5.678 1.00 0.00 C ATOM 1392 C ARG A 93 2.495 4.985 5.887 1.00 0.00 C ATOM 1393 O ARG A 93 2.053 4.218 5.059 1.00 0.00 O ATOM 1394 CB ARG A 93 4.650 5.773 7.029 1.00 0.00 C ATOM 1395 CG ARG A 93 4.962 4.360 7.621 1.00 0.00 C ATOM 1396 CD ARG A 93 6.123 3.701 6.854 1.00 0.00 C ATOM 1397 NE ARG A 93 7.296 4.639 6.999 1.00 0.00 N ATOM 1398 CZ ARG A 93 8.327 4.352 7.664 1.00 0.00 C ATOM 1399 NH1 ARG A 93 9.066 3.439 7.271 1.00 0.00 N ATOM 1400 NH2 ARG A 93 8.544 5.020 8.696 1.00 0.00 N ATOM 0 H ARG A 93 4.900 7.455 5.178 1.00 0.00 H new ATOM 0 HA ARG A 93 4.257 5.038 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.584 6.311 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.071 6.347 7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.219 4.450 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.075 3.730 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.355 2.718 7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.866 3.556 5.805 1.00 0.00 H new ATOM 0 HE ARG A 93 7.252 5.547 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.837 2.929 6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.904 3.197 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.899 5.762 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.366 4.824 9.267 1.00 0.00 H new ATOM 1414 N GLY A 94 1.885 5.271 7.005 1.00 0.00 N ATOM 1415 CA GLY A 94 0.544 4.679 7.396 1.00 0.00 C ATOM 1416 C GLY A 94 -0.581 5.697 7.452 1.00 0.00 C ATOM 1417 O GLY A 94 -1.741 5.381 7.298 1.00 0.00 O ATOM 0 H GLY A 94 2.266 5.914 7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.280 3.898 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.638 4.201 8.371 1.00 0.00 H new ATOM 1421 N ALA A 95 -0.210 6.920 7.664 1.00 0.00 N ATOM 1422 CA ALA A 95 -1.219 8.018 7.743 1.00 0.00 C ATOM 1423 C ALA A 95 -1.582 8.513 6.311 1.00 0.00 C ATOM 1424 O ALA A 95 -1.384 9.655 5.951 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.571 9.109 8.633 1.00 0.00 C ATOM 0 H ALA A 95 0.758 7.217 7.788 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.166 7.703 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.257 9.950 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.355 8.694 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.356 9.451 8.172 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.110 7.598 5.539 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.521 7.920 4.118 1.00 0.00 C ATOM 1433 C GLY A 96 -2.037 7.055 2.949 1.00 0.00 C ATOM 1434 O GLY A 96 -2.855 6.693 2.124 1.00 0.00 O ATOM 0 H GLY A 96 -2.279 6.633 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.611 7.916 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.201 8.942 3.915 1.00 0.00 H new ATOM 1438 N MET A 97 -0.777 6.702 2.856 1.00 0.00 N ATOM 1439 CA MET A 97 -0.364 5.867 1.667 1.00 0.00 C ATOM 1440 C MET A 97 -0.008 4.352 1.792 1.00 0.00 C ATOM 1441 O MET A 97 1.108 3.954 1.517 1.00 0.00 O ATOM 1442 CB MET A 97 0.807 6.645 1.037 1.00 0.00 C ATOM 1443 CG MET A 97 0.400 8.079 0.628 1.00 0.00 C ATOM 1444 SD MET A 97 1.362 8.844 -0.705 1.00 0.00 S ATOM 1445 CE MET A 97 0.034 9.810 -1.464 1.00 0.00 C ATOM 0 H MET A 97 -0.038 6.940 3.518 1.00 0.00 H new ATOM 0 HA MET A 97 -1.277 5.755 1.082 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.634 6.692 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.169 6.107 0.160 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.648 8.064 0.327 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.469 8.718 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.411 10.306 -2.358 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.788 9.148 -1.735 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.322 10.559 -0.756 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.968 3.573 2.211 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.802 2.072 2.370 1.00 0.00 C ATOM 1457 C VAL A 98 -1.763 1.281 1.431 1.00 0.00 C ATOM 1458 O VAL A 98 -2.954 1.270 1.683 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.104 1.669 3.834 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.885 0.152 4.018 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -0.139 2.364 4.772 1.00 0.00 C ATOM 0 H VAL A 98 -1.896 3.913 2.461 1.00 0.00 H new ATOM 0 HA VAL A 98 0.226 1.825 2.104 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.135 1.948 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.099 -0.124 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.550 -0.395 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.150 -0.097 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.359 2.075 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.882 2.074 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.245 3.444 4.668 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.290 0.648 0.388 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.230 -0.124 -0.522 1.00 0.00 C ATOM 1473 C GLY A 99 -1.898 -1.618 -0.609 1.00 0.00 C ATOM 1474 O GLY A 99 -0.809 -2.040 -0.290 1.00 0.00 O ATOM 0 H GLY A 99 -0.307 0.624 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.252 -0.006 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.193 0.308 -1.522 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.837 -2.408 -1.033 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.620 -3.891 -1.157 1.00 0.00 C ATOM 1480 C LYS A 100 -3.029 -4.636 -2.453 1.00 0.00 C ATOM 1481 O LYS A 100 -4.082 -4.398 -3.003 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.348 -4.542 0.024 1.00 0.00 C ATOM 1483 CG LYS A 100 -2.600 -4.221 1.316 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.377 -4.764 2.541 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.790 -6.217 2.368 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.568 -7.031 2.130 1.00 0.00 N ATOM 0 H LYS A 100 -3.768 -2.093 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.535 -3.990 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.372 -4.174 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.404 -5.621 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.603 -4.662 1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.469 -3.143 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.757 -4.669 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.265 -4.154 2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.313 -6.570 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.481 -6.317 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.624 -7.475 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.729 -6.418 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.495 -7.769 2.859 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.166 -5.509 -2.889 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.386 -6.351 -4.112 1.00 0.00 C ATOM 1502 C ILE A 101 -2.471 -7.859 -3.771 1.00 0.00 C ATOM 1503 O ILE A 101 -1.657 -8.414 -3.058 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.211 -6.158 -5.189 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.753 -5.208 -6.302 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.766 -7.521 -5.837 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.887 -5.249 -7.593 1.00 0.00 C ATOM 0 H ILE A 101 -1.273 -5.685 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.334 -6.014 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.336 -5.743 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.778 -5.488 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.783 -4.187 -5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.030 -7.338 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.404 -8.193 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.616 -7.978 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.308 -4.570 -8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.132 -4.943 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.878 -6.263 -7.993 1.00 0.00 H new ATOM 1519 N THR A 102 -3.471 -8.462 -4.312 1.00 0.00 N ATOM 1520 CA THR A 102 -3.733 -9.930 -4.122 1.00 0.00 C ATOM 1521 C THR A 102 -3.507 -10.516 -5.520 1.00 0.00 C ATOM 1522 O THR A 102 -4.214 -10.156 -6.447 1.00 0.00 O ATOM 1523 CB THR A 102 -5.185 -10.121 -3.667 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.370 -9.188 -2.618 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.384 -11.410 -2.924 1.00 0.00 C ATOM 0 H THR A 102 -4.155 -7.993 -4.905 1.00 0.00 H new ATOM 0 HA THR A 102 -3.101 -10.405 -3.372 1.00 0.00 H new ATOM 0 HB THR A 102 -5.825 -10.050 -4.546 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.287 -9.255 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.428 -11.499 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.120 -12.247 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.749 -11.421 -2.038 1.00 0.00 H new ATOM 1533 N VAL A 103 -2.571 -11.394 -5.719 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.347 -11.958 -7.108 1.00 0.00 C ATOM 1535 C VAL A 103 -3.245 -13.206 -7.289 1.00 0.00 C ATOM 1536 O VAL A 103 -2.809 -14.299 -7.591 1.00 0.00 O ATOM 1537 CB VAL A 103 -0.838 -12.290 -7.204 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -0.426 -12.593 -8.633 1.00 0.00 C ATOM 1539 CG2 VAL A 103 0.040 -11.133 -6.701 1.00 0.00 C ATOM 0 H VAL A 103 -1.947 -11.754 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.613 -11.260 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.687 -13.166 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.639 -12.822 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.992 -13.449 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.629 -11.726 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.091 -11.410 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.151 -10.244 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.196 -10.924 -5.658 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.507 -12.932 -7.086 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.686 -13.876 -7.150 1.00 0.00 C ATOM 1551 C ALA A 104 -5.938 -14.164 -5.642 1.00 0.00 C ATOM 1552 O ALA A 104 -7.039 -14.083 -5.134 1.00 0.00 O ATOM 1553 CB ALA A 104 -5.321 -15.189 -7.927 1.00 0.00 C ATOM 0 H ALA A 104 -4.802 -11.984 -6.852 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.551 -13.472 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.189 -15.848 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.021 -14.938 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.499 -15.695 -7.421 1.00 0.00 H new ATOM 1559 N GLY A 105 -4.828 -14.485 -5.038 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.651 -14.821 -3.587 1.00 0.00 C ATOM 1561 C GLY A 105 -3.443 -14.017 -3.062 1.00 0.00 C ATOM 1562 O GLY A 105 -3.177 -14.163 -1.889 1.00 0.00 O ATOM 1563 OXT GLY A 105 -2.834 -13.300 -3.843 1.00 0.00 O ATOM 0 H GLY A 105 -3.946 -14.532 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.550 -14.571 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.483 -15.890 -3.460 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 3.481 9.613 -0.580 1.00 0.00 CU