USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=16 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 Single : A 1 GLY N :NH3+ -124:sc= 0.0431 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.23) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.709 K(o=-0.71,f=-0.17) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0873 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0347) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -115:sc=-0.00197 (180deg=-0.128) USER MOD Single : A 48 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 51 MET CE :methyl -179:sc= -3.95 (180deg=-3.98) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -4.04 K(o=-4,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.554) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00756 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-4.3!) USER MOD Single : A 82 ASN : amide:sc= -5.23! K(o=-5.2!,f=-1.7) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0564) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.733 K(o=0.73,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 33:sc= 0.572 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.651 24.710 -0.714 1.00 0.00 N ATOM 2 CA GLY A 1 -11.842 24.340 -1.907 1.00 0.00 C ATOM 3 C GLY A 1 -12.516 23.283 -2.758 1.00 0.00 C ATOM 4 O GLY A 1 -13.728 23.084 -2.670 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.822 25.736 -0.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.561 24.207 -0.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.136 24.446 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.663 25.229 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.868 23.974 -1.583 1.00 0.00 H new ATOM 10 N SER A 2 -11.730 22.603 -3.585 1.00 0.00 N ATOM 11 CA SER A 2 -12.256 21.560 -4.458 1.00 0.00 C ATOM 12 C SER A 2 -11.828 20.179 -3.973 1.00 0.00 C ATOM 13 O SER A 2 -10.728 20.007 -3.449 1.00 0.00 O ATOM 14 CB SER A 2 -11.777 21.779 -5.894 1.00 0.00 C ATOM 15 OG SER A 2 -11.611 23.160 -6.169 1.00 0.00 O ATOM 0 H SER A 2 -10.725 22.755 -3.669 1.00 0.00 H new ATOM 0 HA SER A 2 -13.344 21.614 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.833 21.257 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.497 21.350 -6.591 1.00 0.00 H new ATOM 0 HG SER A 2 -11.303 23.275 -7.092 1.00 0.00 H new ATOM 21 N HIS A 3 -12.707 19.198 -4.146 1.00 0.00 N ATOM 22 CA HIS A 3 -12.423 17.831 -3.723 1.00 0.00 C ATOM 23 C HIS A 3 -11.565 17.105 -4.756 1.00 0.00 C ATOM 24 O HIS A 3 -11.591 17.436 -5.941 1.00 0.00 O ATOM 25 CB HIS A 3 -13.726 17.064 -3.496 1.00 0.00 C ATOM 26 CG HIS A 3 -13.575 15.880 -2.593 1.00 0.00 C ATOM 27 ND1 HIS A 3 -13.236 14.624 -3.049 1.00 0.00 N ATOM 28 CD2 HIS A 3 -13.711 15.766 -1.251 1.00 0.00 C ATOM 29 CE1 HIS A 3 -13.174 13.787 -2.028 1.00 0.00 C ATOM 30 NE2 HIS A 3 -13.456 14.455 -0.927 1.00 0.00 N ATOM 0 H HIS A 3 -13.623 19.324 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.868 17.877 -2.786 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -14.467 17.741 -3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -14.113 16.729 -4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.971 16.557 -0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.933 12.736 -2.086 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.481 14.062 0.014 1.00 0.00 H new ATOM 38 N MET A 4 -10.806 16.114 -4.297 1.00 0.00 N ATOM 39 CA MET A 4 -9.941 15.338 -5.180 1.00 0.00 C ATOM 40 C MET A 4 -9.718 13.934 -4.620 1.00 0.00 C ATOM 41 O MET A 4 -8.777 13.698 -3.865 1.00 0.00 O ATOM 42 CB MET A 4 -8.597 16.048 -5.364 1.00 0.00 C ATOM 43 CG MET A 4 -8.118 16.073 -6.807 1.00 0.00 C ATOM 44 SD MET A 4 -8.087 17.736 -7.506 1.00 0.00 S ATOM 45 CE MET A 4 -6.843 17.543 -8.781 1.00 0.00 C ATOM 0 H MET A 4 -10.772 15.829 -3.318 1.00 0.00 H new ATOM 0 HA MET A 4 -10.432 15.251 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 4 -8.683 17.072 -5.000 1.00 0.00 H new ATOM 0 HB3 MET A 4 -7.846 15.553 -4.748 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.118 15.643 -6.860 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.769 15.442 -7.412 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.709 18.489 -9.305 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.899 17.244 -8.326 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.163 16.778 -9.489 1.00 0.00 H new ATOM 55 N GLN A 5 -10.594 13.007 -4.998 1.00 0.00 N ATOM 56 CA GLN A 5 -10.501 11.627 -4.535 1.00 0.00 C ATOM 57 C GLN A 5 -9.776 10.756 -5.560 1.00 0.00 C ATOM 58 O GLN A 5 -9.714 11.095 -6.742 1.00 0.00 O ATOM 59 CB GLN A 5 -11.900 11.066 -4.264 1.00 0.00 C ATOM 60 CG GLN A 5 -11.913 9.852 -3.350 1.00 0.00 C ATOM 61 CD GLN A 5 -11.559 10.193 -1.914 1.00 0.00 C ATOM 62 OE1 GLN A 5 -12.439 10.419 -1.085 1.00 0.00 O ATOM 63 NE2 GLN A 5 -10.267 10.224 -1.614 1.00 0.00 N ATOM 0 H GLN A 5 -11.378 13.188 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.927 11.616 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.514 11.849 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.363 10.798 -5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.902 9.393 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.208 9.111 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.571 10.030 -2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.969 10.442 -0.663 1.00 0.00 H new ATOM 72 N ALA A 6 -9.232 9.636 -5.095 1.00 0.00 N ATOM 73 CA ALA A 6 -8.513 8.715 -5.967 1.00 0.00 C ATOM 74 C ALA A 6 -9.475 7.944 -6.863 1.00 0.00 C ATOM 75 O ALA A 6 -10.592 7.621 -6.459 1.00 0.00 O ATOM 76 CB ALA A 6 -7.672 7.757 -5.137 1.00 0.00 C ATOM 0 H ALA A 6 -9.276 9.344 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.853 9.297 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.139 7.074 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.953 8.323 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.320 7.187 -4.472 1.00 0.00 H new ATOM 82 N THR A 7 -9.034 7.654 -8.082 1.00 0.00 N ATOM 83 CA THR A 7 -9.856 6.922 -9.038 1.00 0.00 C ATOM 84 C THR A 7 -9.111 5.706 -9.577 1.00 0.00 C ATOM 85 O THR A 7 -7.901 5.752 -9.791 1.00 0.00 O ATOM 86 CB THR A 7 -10.267 7.836 -10.193 1.00 0.00 C ATOM 87 OG1 THR A 7 -10.732 9.082 -9.705 1.00 0.00 O ATOM 88 CG2 THR A 7 -11.356 7.247 -11.064 1.00 0.00 C ATOM 0 H THR A 7 -8.112 7.915 -8.431 1.00 0.00 H new ATOM 0 HA THR A 7 -10.751 6.577 -8.520 1.00 0.00 H new ATOM 0 HB THR A 7 -9.369 7.960 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.989 9.653 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.600 7.946 -11.864 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.009 6.308 -11.496 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.244 7.062 -10.460 1.00 0.00 H new ATOM 96 N TRP A 8 -9.842 4.615 -9.793 1.00 0.00 N ATOM 97 CA TRP A 8 -9.240 3.391 -10.305 1.00 0.00 C ATOM 98 C TRP A 8 -10.151 2.699 -11.311 1.00 0.00 C ATOM 99 O TRP A 8 -11.353 2.960 -11.368 1.00 0.00 O ATOM 100 CB TRP A 8 -8.905 2.445 -9.152 1.00 0.00 C ATOM 101 CG TRP A 8 -7.829 2.983 -8.265 1.00 0.00 C ATOM 102 CD1 TRP A 8 -7.938 4.018 -7.382 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.475 2.527 -8.189 1.00 0.00 C ATOM 104 NE1 TRP A 8 -6.733 4.234 -6.761 1.00 0.00 N ATOM 105 CE2 TRP A 8 -5.818 3.331 -7.238 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.752 1.516 -8.830 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.473 3.155 -6.916 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.421 1.344 -8.508 1.00 0.00 C ATOM 109 CH2 TRP A 8 -3.793 2.158 -7.562 1.00 0.00 C ATOM 0 H TRP A 8 -10.846 4.555 -9.622 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.320 3.662 -10.822 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.803 2.266 -8.561 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.591 1.482 -9.555 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.840 4.584 -7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.548 4.950 -6.059 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.227 0.881 -9.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.986 3.782 -6.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.854 0.565 -8.997 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.749 1.997 -7.336 1.00 0.00 H new ATOM 120 N LYS A 9 -9.560 1.813 -12.103 1.00 0.00 N ATOM 121 CA LYS A 9 -10.293 1.065 -13.118 1.00 0.00 C ATOM 122 C LYS A 9 -9.696 -0.329 -13.283 1.00 0.00 C ATOM 123 O LYS A 9 -9.878 -0.980 -14.311 1.00 0.00 O ATOM 124 CB LYS A 9 -10.250 1.803 -14.458 1.00 0.00 C ATOM 125 CG LYS A 9 -10.195 3.316 -14.324 1.00 0.00 C ATOM 126 CD LYS A 9 -9.722 3.965 -15.611 1.00 0.00 C ATOM 127 CE LYS A 9 -9.365 5.428 -15.402 1.00 0.00 C ATOM 128 NZ LYS A 9 -10.269 6.333 -16.165 1.00 0.00 N ATOM 0 H LYS A 9 -8.565 1.593 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.330 0.974 -12.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.379 1.466 -15.020 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.130 1.531 -15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.183 3.697 -14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.524 3.587 -13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.853 3.429 -15.991 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.502 3.885 -16.368 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.422 5.668 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.334 5.598 -15.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.993 7.322 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.196 6.121 -17.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.250 6.189 -15.851 1.00 0.00 H new ATOM 142 N GLU A 10 -8.956 -0.763 -12.269 1.00 0.00 N ATOM 143 CA GLU A 10 -8.296 -2.061 -12.296 1.00 0.00 C ATOM 144 C GLU A 10 -9.293 -3.217 -12.321 1.00 0.00 C ATOM 145 O GLU A 10 -10.341 -3.167 -11.678 1.00 0.00 O ATOM 146 CB GLU A 10 -7.359 -2.194 -11.098 1.00 0.00 C ATOM 147 CG GLU A 10 -8.049 -1.994 -9.759 1.00 0.00 C ATOM 148 CD GLU A 10 -7.145 -1.344 -8.729 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.930 -1.634 -8.739 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.651 -0.545 -7.913 1.00 0.00 O ATOM 0 H GLU A 10 -8.798 -0.230 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.718 -2.116 -13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.899 -3.182 -11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.554 -1.465 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.936 -1.376 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.389 -2.959 -9.382 1.00 0.00 H new ATOM 157 N LYS A 11 -8.943 -4.259 -13.074 1.00 0.00 N ATOM 158 CA LYS A 11 -9.786 -5.445 -13.200 1.00 0.00 C ATOM 159 C LYS A 11 -9.833 -6.221 -11.879 1.00 0.00 C ATOM 160 O LYS A 11 -9.650 -5.638 -10.811 1.00 0.00 O ATOM 161 CB LYS A 11 -9.264 -6.334 -14.336 1.00 0.00 C ATOM 162 CG LYS A 11 -7.858 -6.861 -14.101 1.00 0.00 C ATOM 163 CD LYS A 11 -7.432 -7.832 -15.191 1.00 0.00 C ATOM 164 CE LYS A 11 -5.990 -8.283 -15.003 1.00 0.00 C ATOM 165 NZ LYS A 11 -5.772 -9.676 -15.483 1.00 0.00 N ATOM 0 H LYS A 11 -8.076 -4.305 -13.609 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.802 -5.131 -13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.942 -7.178 -14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.279 -5.766 -15.266 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.158 -6.026 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.813 -7.359 -13.132 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.090 -8.701 -15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.542 -7.357 -16.166 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.326 -7.606 -15.541 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.725 -8.218 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.777 -9.942 -15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.386 -10.326 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.000 -9.734 -16.496 1.00 0.00 H new ATOM 179 N ASP A 12 -10.086 -7.528 -11.947 1.00 0.00 N ATOM 180 CA ASP A 12 -10.159 -8.351 -10.742 1.00 0.00 C ATOM 181 C ASP A 12 -9.320 -9.621 -10.875 1.00 0.00 C ATOM 182 O ASP A 12 -9.555 -10.606 -10.175 1.00 0.00 O ATOM 183 CB ASP A 12 -11.615 -8.716 -10.441 1.00 0.00 C ATOM 184 CG ASP A 12 -11.842 -9.018 -8.973 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.587 -8.126 -8.137 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.277 -10.146 -8.660 1.00 0.00 O ATOM 0 H ASP A 12 -10.243 -8.036 -12.818 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.753 -7.767 -9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.263 -7.894 -10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.900 -9.584 -11.036 1.00 0.00 H new ATOM 191 N GLY A 13 -8.344 -9.593 -11.776 1.00 0.00 N ATOM 192 CA GLY A 13 -7.487 -10.747 -11.981 1.00 0.00 C ATOM 193 C GLY A 13 -6.130 -10.590 -11.320 1.00 0.00 C ATOM 194 O GLY A 13 -5.964 -9.775 -10.414 1.00 0.00 O ATOM 0 H GLY A 13 -8.131 -8.791 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.979 -11.635 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.350 -10.908 -13.050 1.00 0.00 H new ATOM 198 N ALA A 14 -5.160 -11.383 -11.769 1.00 0.00 N ATOM 199 CA ALA A 14 -3.810 -11.343 -11.211 1.00 0.00 C ATOM 200 C ALA A 14 -3.080 -10.051 -11.579 1.00 0.00 C ATOM 201 O ALA A 14 -3.657 -9.146 -12.178 1.00 0.00 O ATOM 202 CB ALA A 14 -3.017 -12.553 -11.678 1.00 0.00 C ATOM 0 H ALA A 14 -5.284 -12.063 -12.519 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.898 -11.368 -10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.012 -12.514 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.515 -13.464 -11.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.955 -12.549 -12.766 1.00 0.00 H new ATOM 208 N VAL A 15 -1.785 -10.006 -11.262 1.00 0.00 N ATOM 209 CA VAL A 15 -0.948 -8.859 -11.608 1.00 0.00 C ATOM 210 C VAL A 15 -0.757 -8.762 -13.119 1.00 0.00 C ATOM 211 O VAL A 15 -0.731 -9.780 -13.809 1.00 0.00 O ATOM 212 CB VAL A 15 0.427 -8.923 -10.923 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.211 -10.136 -11.395 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.214 -7.640 -11.156 1.00 0.00 C ATOM 0 H VAL A 15 -1.294 -10.751 -10.767 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.468 -7.971 -11.250 1.00 0.00 H new ATOM 0 HB VAL A 15 0.264 -9.024 -9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.180 -10.159 -10.896 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.657 -11.043 -11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.359 -10.076 -12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.182 -7.712 -10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.364 -7.494 -12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.660 -6.794 -10.748 1.00 0.00 H new ATOM 224 N GLU A 16 -0.586 -7.551 -13.629 1.00 0.00 N ATOM 225 CA GLU A 16 -0.356 -7.352 -15.053 1.00 0.00 C ATOM 226 C GLU A 16 0.770 -6.339 -15.260 1.00 0.00 C ATOM 227 O GLU A 16 1.158 -5.636 -14.326 1.00 0.00 O ATOM 228 CB GLU A 16 -1.634 -6.893 -15.763 1.00 0.00 C ATOM 229 CG GLU A 16 -2.421 -8.034 -16.383 1.00 0.00 C ATOM 230 CD GLU A 16 -3.126 -7.632 -17.664 1.00 0.00 C ATOM 231 OE1 GLU A 16 -4.166 -6.946 -17.578 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.636 -8.001 -18.752 1.00 0.00 O ATOM 0 H GLU A 16 -0.602 -6.692 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.061 -8.306 -15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.269 -6.369 -15.049 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.371 -6.177 -16.542 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.746 -8.865 -16.590 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.158 -8.393 -15.665 1.00 0.00 H new ATOM 239 N ALA A 17 1.313 -6.320 -16.474 1.00 0.00 N ATOM 240 CA ALA A 17 2.444 -5.445 -16.825 1.00 0.00 C ATOM 241 C ALA A 17 2.590 -4.258 -15.862 1.00 0.00 C ATOM 242 O ALA A 17 3.517 -4.228 -15.055 1.00 0.00 O ATOM 243 CB ALA A 17 2.295 -4.945 -18.256 1.00 0.00 C ATOM 0 H ALA A 17 0.988 -6.905 -17.244 1.00 0.00 H new ATOM 0 HA ALA A 17 3.352 -6.042 -16.738 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.137 -4.299 -18.505 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.276 -5.795 -18.938 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.366 -4.383 -18.350 1.00 0.00 H new ATOM 249 N GLU A 18 1.696 -3.279 -15.953 1.00 0.00 N ATOM 250 CA GLU A 18 1.778 -2.103 -15.081 1.00 0.00 C ATOM 251 C GLU A 18 0.544 -1.975 -14.191 1.00 0.00 C ATOM 252 O GLU A 18 -0.314 -1.119 -14.411 1.00 0.00 O ATOM 253 CB GLU A 18 1.960 -0.834 -15.916 1.00 0.00 C ATOM 254 CG GLU A 18 0.969 -0.706 -17.061 1.00 0.00 C ATOM 255 CD GLU A 18 1.454 0.234 -18.147 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.671 0.237 -18.431 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.617 0.967 -18.713 1.00 0.00 O ATOM 0 H GLU A 18 0.916 -3.271 -16.610 1.00 0.00 H new ATOM 0 HA GLU A 18 2.645 -2.232 -14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.863 0.035 -15.265 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.972 -0.818 -16.320 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.788 -1.691 -17.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.016 -0.347 -16.673 1.00 0.00 H new ATOM 264 N ASP A 19 0.455 -2.859 -13.196 1.00 0.00 N ATOM 265 CA ASP A 19 -0.679 -2.888 -12.269 1.00 0.00 C ATOM 266 C ASP A 19 -0.371 -2.220 -10.923 1.00 0.00 C ATOM 267 O ASP A 19 0.693 -1.634 -10.737 1.00 0.00 O ATOM 268 CB ASP A 19 -1.078 -4.338 -12.030 1.00 0.00 C ATOM 269 CG ASP A 19 -1.799 -4.934 -13.214 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.673 -4.381 -14.328 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.494 -5.956 -13.029 1.00 0.00 O ATOM 0 H ASP A 19 1.161 -3.571 -13.010 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.491 -2.322 -12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.187 -4.928 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.718 -4.396 -11.150 1.00 0.00 H new ATOM 276 N ARG A 20 -1.318 -2.342 -9.983 1.00 0.00 N ATOM 277 CA ARG A 20 -1.167 -1.786 -8.636 1.00 0.00 C ATOM 278 C ARG A 20 -1.869 -2.690 -7.621 1.00 0.00 C ATOM 279 O ARG A 20 -3.097 -2.751 -7.589 1.00 0.00 O ATOM 280 CB ARG A 20 -1.754 -0.374 -8.549 1.00 0.00 C ATOM 281 CG ARG A 20 -0.808 0.643 -7.935 1.00 0.00 C ATOM 282 CD ARG A 20 -0.714 1.910 -8.772 1.00 0.00 C ATOM 283 NE ARG A 20 -0.054 2.987 -8.038 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.163 4.277 -8.344 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.928 4.668 -9.354 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.493 5.179 -7.629 1.00 0.00 N ATOM 0 H ARG A 20 -2.203 -2.826 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.102 -1.731 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.030 -0.042 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.671 -0.407 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.149 0.896 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.183 0.201 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.163 1.702 -9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.714 2.228 -9.066 1.00 0.00 H new ATOM 0 HE ARG A 20 0.528 2.734 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.439 3.977 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.005 5.659 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.078 4.883 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.413 6.169 -7.860 1.00 0.00 H new ATOM 300 N VAL A 21 -1.097 -3.384 -6.787 1.00 0.00 N ATOM 301 CA VAL A 21 -1.671 -4.269 -5.775 1.00 0.00 C ATOM 302 C VAL A 21 -1.847 -3.557 -4.434 1.00 0.00 C ATOM 303 O VAL A 21 -1.372 -2.437 -4.247 1.00 0.00 O ATOM 304 CB VAL A 21 -0.799 -5.528 -5.566 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.549 -6.236 -6.890 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.521 -5.174 -4.899 1.00 0.00 C ATOM 0 H VAL A 21 -0.078 -3.351 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.651 -4.568 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.343 -6.205 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.067 -7.119 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.501 -6.536 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.033 -5.560 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.114 -6.078 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.069 -4.471 -5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.327 -4.719 -3.928 1.00 0.00 H new ATOM 316 N THR A 22 -2.501 -4.236 -3.492 1.00 0.00 N ATOM 317 CA THR A 22 -2.706 -3.698 -2.153 1.00 0.00 C ATOM 318 C THR A 22 -1.988 -4.590 -1.151 1.00 0.00 C ATOM 319 O THR A 22 -2.324 -5.765 -1.013 1.00 0.00 O ATOM 320 CB THR A 22 -4.196 -3.621 -1.817 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.863 -2.731 -2.694 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.467 -3.162 -0.400 1.00 0.00 C ATOM 0 H THR A 22 -2.899 -5.164 -3.636 1.00 0.00 H new ATOM 0 HA THR A 22 -2.302 -2.687 -2.108 1.00 0.00 H new ATOM 0 HB THR A 22 -4.571 -4.638 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.815 -2.697 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.543 -3.129 -0.228 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.008 -3.858 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.046 -2.168 -0.253 1.00 0.00 H new ATOM 330 N ILE A 23 -0.969 -4.055 -0.489 1.00 0.00 N ATOM 331 CA ILE A 23 -0.195 -4.854 0.454 1.00 0.00 C ATOM 332 C ILE A 23 -0.003 -4.176 1.812 1.00 0.00 C ATOM 333 O ILE A 23 0.065 -2.951 1.914 1.00 0.00 O ATOM 334 CB ILE A 23 1.197 -5.180 -0.124 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.916 -3.906 -0.555 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.096 -6.149 -1.292 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.338 -3.845 -0.054 1.00 0.00 C ATOM 0 H ILE A 23 -0.663 -3.087 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.775 -5.763 0.610 1.00 0.00 H new ATOM 0 HB ILE A 23 1.778 -5.658 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.915 -3.843 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.367 -3.040 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.094 -6.359 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.634 -7.077 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.488 -5.706 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.803 -2.918 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.342 -3.879 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.898 -4.694 -0.445 1.00 0.00 H new ATOM 349 N ASP A 24 0.130 -5.007 2.846 1.00 0.00 N ATOM 350 CA ASP A 24 0.373 -4.545 4.214 1.00 0.00 C ATOM 351 C ASP A 24 1.711 -5.118 4.676 1.00 0.00 C ATOM 352 O ASP A 24 1.921 -6.329 4.594 1.00 0.00 O ATOM 353 CB ASP A 24 -0.736 -5.015 5.162 1.00 0.00 C ATOM 354 CG ASP A 24 -1.096 -6.473 4.962 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.520 -6.833 3.845 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.955 -7.256 5.925 1.00 0.00 O ATOM 0 H ASP A 24 0.072 -6.022 2.759 1.00 0.00 H new ATOM 0 HA ASP A 24 0.388 -3.455 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.416 -4.862 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.624 -4.401 5.009 1.00 0.00 H new ATOM 361 N PHE A 25 2.629 -4.271 5.134 1.00 0.00 N ATOM 362 CA PHE A 25 3.938 -4.770 5.557 1.00 0.00 C ATOM 363 C PHE A 25 4.485 -4.049 6.782 1.00 0.00 C ATOM 364 O PHE A 25 3.969 -3.017 7.203 1.00 0.00 O ATOM 365 CB PHE A 25 4.938 -4.652 4.403 1.00 0.00 C ATOM 366 CG PHE A 25 5.354 -3.240 4.096 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.208 -2.553 4.943 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.871 -2.592 2.972 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.571 -1.246 4.674 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.226 -1.287 2.705 1.00 0.00 C ATOM 371 CZ PHE A 25 6.072 -0.614 3.554 1.00 0.00 C ATOM 0 H PHE A 25 2.499 -3.263 5.221 1.00 0.00 H new ATOM 0 HA PHE A 25 3.800 -5.815 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.826 -5.237 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.498 -5.093 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.595 -3.044 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.209 -3.114 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.242 -0.722 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.839 -0.792 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.346 0.409 3.344 1.00 0.00 H new ATOM 381 N THR A 26 5.546 -4.621 7.343 1.00 0.00 N ATOM 382 CA THR A 26 6.202 -4.063 8.523 1.00 0.00 C ATOM 383 C THR A 26 7.691 -4.407 8.526 1.00 0.00 C ATOM 384 O THR A 26 8.061 -5.579 8.611 1.00 0.00 O ATOM 385 CB THR A 26 5.545 -4.598 9.796 1.00 0.00 C ATOM 386 OG1 THR A 26 4.140 -4.423 9.748 1.00 0.00 O ATOM 387 CG2 THR A 26 6.047 -3.932 11.060 1.00 0.00 C ATOM 0 H THR A 26 5.974 -5.479 6.996 1.00 0.00 H new ATOM 0 HA THR A 26 6.094 -2.979 8.493 1.00 0.00 H new ATOM 0 HB THR A 26 5.812 -5.654 9.833 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.738 -4.773 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.538 -4.360 11.924 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.121 -4.093 11.155 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.844 -2.862 11.013 1.00 0.00 H new ATOM 395 N GLY A 27 8.544 -3.388 8.429 1.00 0.00 N ATOM 396 CA GLY A 27 9.979 -3.627 8.418 1.00 0.00 C ATOM 397 C GLY A 27 10.794 -2.424 8.852 1.00 0.00 C ATOM 398 O GLY A 27 10.266 -1.326 9.009 1.00 0.00 O ATOM 0 H GLY A 27 8.270 -2.408 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.205 -4.466 9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.283 -3.919 7.413 1.00 0.00 H new ATOM 402 N SER A 28 12.090 -2.643 9.052 1.00 0.00 N ATOM 403 CA SER A 28 13.003 -1.583 9.481 1.00 0.00 C ATOM 404 C SER A 28 13.955 -1.171 8.364 1.00 0.00 C ATOM 405 O SER A 28 13.984 -1.784 7.299 1.00 0.00 O ATOM 406 CB SER A 28 13.822 -2.057 10.683 1.00 0.00 C ATOM 407 OG SER A 28 13.846 -3.472 10.753 1.00 0.00 O ATOM 0 H SER A 28 12.536 -3.551 8.923 1.00 0.00 H new ATOM 0 HA SER A 28 12.397 -0.719 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.840 -1.675 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.397 -1.651 11.601 1.00 0.00 H new ATOM 0 HG SER A 28 14.377 -3.752 11.528 1.00 0.00 H new ATOM 413 N VAL A 29 14.749 -0.134 8.636 1.00 0.00 N ATOM 414 CA VAL A 29 15.728 0.365 7.680 1.00 0.00 C ATOM 415 C VAL A 29 17.142 0.274 8.255 1.00 0.00 C ATOM 416 O VAL A 29 17.946 -0.542 7.805 1.00 0.00 O ATOM 417 CB VAL A 29 15.409 1.817 7.229 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.057 2.713 8.411 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.567 2.409 6.431 1.00 0.00 C ATOM 0 H VAL A 29 14.729 0.377 9.518 1.00 0.00 H new ATOM 0 HA VAL A 29 15.672 -0.270 6.796 1.00 0.00 H new ATOM 0 HB VAL A 29 14.534 1.768 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.841 3.720 8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.181 2.314 8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.897 2.747 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.318 3.426 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.465 2.425 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.747 1.800 5.545 1.00 0.00 H new ATOM 429 N ASP A 30 17.441 1.095 9.256 1.00 0.00 N ATOM 430 CA ASP A 30 18.753 1.073 9.889 1.00 0.00 C ATOM 431 C ASP A 30 18.710 0.200 11.135 1.00 0.00 C ATOM 432 O ASP A 30 19.320 0.521 12.156 1.00 0.00 O ATOM 433 CB ASP A 30 19.201 2.493 10.247 1.00 0.00 C ATOM 434 CG ASP A 30 20.709 2.630 10.277 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.361 1.858 11.013 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.241 3.508 9.566 1.00 0.00 O ATOM 0 H ASP A 30 16.795 1.781 9.645 1.00 0.00 H new ATOM 0 HA ASP A 30 19.475 0.655 9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.789 3.195 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.794 2.765 11.221 1.00 0.00 H new ATOM 441 N GLY A 31 17.962 -0.894 11.049 1.00 0.00 N ATOM 442 CA GLY A 31 17.823 -1.791 12.177 1.00 0.00 C ATOM 443 C GLY A 31 16.561 -1.507 12.970 1.00 0.00 C ATOM 444 O GLY A 31 16.126 -2.332 13.774 1.00 0.00 O ATOM 0 H GLY A 31 17.448 -1.175 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.805 -2.821 11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.691 -1.693 12.828 1.00 0.00 H new ATOM 448 N GLU A 32 15.972 -0.335 12.738 1.00 0.00 N ATOM 449 CA GLU A 32 14.753 0.064 13.431 1.00 0.00 C ATOM 450 C GLU A 32 13.740 0.647 12.450 1.00 0.00 C ATOM 451 O GLU A 32 14.067 1.517 11.642 1.00 0.00 O ATOM 452 CB GLU A 32 15.075 1.084 14.524 1.00 0.00 C ATOM 453 CG GLU A 32 16.195 0.644 15.452 1.00 0.00 C ATOM 454 CD GLU A 32 17.039 1.806 15.940 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.818 2.353 15.131 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.919 2.168 17.128 1.00 0.00 O ATOM 0 H GLU A 32 16.322 0.355 12.073 1.00 0.00 H new ATOM 0 HA GLU A 32 14.316 -0.822 13.892 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.351 2.030 14.058 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.177 1.269 15.113 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.768 0.125 16.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.833 -0.070 14.932 1.00 0.00 H new ATOM 463 N GLU A 33 12.510 0.156 12.527 1.00 0.00 N ATOM 464 CA GLU A 33 11.439 0.604 11.659 1.00 0.00 C ATOM 465 C GLU A 33 11.226 2.099 11.782 1.00 0.00 C ATOM 466 O GLU A 33 10.939 2.618 12.861 1.00 0.00 O ATOM 467 CB GLU A 33 10.148 -0.146 11.987 1.00 0.00 C ATOM 468 CG GLU A 33 9.764 -0.091 13.455 1.00 0.00 C ATOM 469 CD GLU A 33 9.590 -1.469 14.065 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.180 -2.393 13.331 1.00 0.00 O ATOM 471 OE2 GLU A 33 9.862 -1.621 15.273 1.00 0.00 O ATOM 0 H GLU A 33 12.231 -0.564 13.194 1.00 0.00 H new ATOM 0 HA GLU A 33 11.723 0.389 10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.335 0.271 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.259 -1.189 11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.531 0.452 14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.836 0.470 13.563 1.00 0.00 H new ATOM 478 N PHE A 34 11.390 2.787 10.663 1.00 0.00 N ATOM 479 CA PHE A 34 11.245 4.239 10.594 1.00 0.00 C ATOM 480 C PHE A 34 9.783 4.650 10.432 1.00 0.00 C ATOM 481 O PHE A 34 8.899 4.115 11.101 1.00 0.00 O ATOM 482 CB PHE A 34 12.128 4.777 9.443 1.00 0.00 C ATOM 483 CG PHE A 34 11.745 4.310 8.050 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.883 2.981 7.674 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.255 5.212 7.114 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.538 2.564 6.400 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.908 4.799 5.842 1.00 0.00 C ATOM 488 CZ PHE A 34 11.048 3.474 5.485 1.00 0.00 C ATOM 0 H PHE A 34 11.629 2.355 9.770 1.00 0.00 H new ATOM 0 HA PHE A 34 11.581 4.680 11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.096 5.866 9.463 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.161 4.485 9.634 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.265 2.263 8.385 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.144 6.252 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.652 1.527 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.527 5.514 5.127 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.775 3.149 4.492 1.00 0.00 H new ATOM 498 N GLU A 35 9.536 5.577 9.527 1.00 0.00 N ATOM 499 CA GLU A 35 8.189 6.053 9.235 1.00 0.00 C ATOM 500 C GLU A 35 7.379 4.973 8.523 1.00 0.00 C ATOM 501 O GLU A 35 6.294 4.599 8.964 1.00 0.00 O ATOM 502 CB GLU A 35 8.253 7.306 8.360 1.00 0.00 C ATOM 503 CG GLU A 35 8.587 8.573 9.129 1.00 0.00 C ATOM 504 CD GLU A 35 9.954 9.125 8.778 1.00 0.00 C ATOM 505 OE1 GLU A 35 10.921 8.335 8.739 1.00 0.00 O ATOM 506 OE2 GLU A 35 10.058 10.345 8.537 1.00 0.00 O ATOM 0 H GLU A 35 10.263 6.025 8.969 1.00 0.00 H new ATOM 0 HA GLU A 35 7.700 6.295 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.001 7.157 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.294 7.438 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.830 9.329 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.547 8.366 10.198 1.00 0.00 H new ATOM 513 N GLY A 36 7.928 4.479 7.415 1.00 0.00 N ATOM 514 CA GLY A 36 7.261 3.443 6.646 1.00 0.00 C ATOM 515 C GLY A 36 7.506 2.058 7.204 1.00 0.00 C ATOM 516 O GLY A 36 7.210 1.061 6.549 1.00 0.00 O ATOM 0 H GLY A 36 8.826 4.780 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.189 3.640 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.608 3.482 5.613 1.00 0.00 H new ATOM 520 N GLY A 37 8.042 1.992 8.419 1.00 0.00 N ATOM 521 CA GLY A 37 8.310 0.715 9.041 1.00 0.00 C ATOM 522 C GLY A 37 7.073 -0.157 9.163 1.00 0.00 C ATOM 523 O GLY A 37 7.176 -1.340 9.485 1.00 0.00 O ATOM 0 H GLY A 37 8.295 2.804 8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.065 0.186 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.730 0.881 10.033 1.00 0.00 H new ATOM 527 N LYS A 38 5.905 0.419 8.891 1.00 0.00 N ATOM 528 CA LYS A 38 4.657 -0.321 8.958 1.00 0.00 C ATOM 529 C LYS A 38 3.661 0.220 7.940 1.00 0.00 C ATOM 530 O LYS A 38 3.477 1.430 7.812 1.00 0.00 O ATOM 531 CB LYS A 38 4.056 -0.255 10.361 1.00 0.00 C ATOM 532 CG LYS A 38 2.716 -0.967 10.481 1.00 0.00 C ATOM 533 CD LYS A 38 2.050 -0.689 11.818 1.00 0.00 C ATOM 534 CE LYS A 38 1.527 0.737 11.895 1.00 0.00 C ATOM 535 NZ LYS A 38 0.291 0.920 11.085 1.00 0.00 N ATOM 0 H LYS A 38 5.801 1.397 8.622 1.00 0.00 H new ATOM 0 HA LYS A 38 4.873 -1.363 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.757 -0.696 11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.930 0.790 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.059 -0.645 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.863 -2.041 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.227 -1.388 11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.764 -0.860 12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.321 0.992 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.296 1.425 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.099 1.868 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.519 0.817 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.411 0.202 11.356 1.00 0.00 H new ATOM 549 N ALA A 39 3.025 -0.690 7.223 1.00 0.00 N ATOM 550 CA ALA A 39 2.042 -0.329 6.214 1.00 0.00 C ATOM 551 C ALA A 39 0.919 -1.355 6.188 1.00 0.00 C ATOM 552 O ALA A 39 1.150 -2.546 6.398 1.00 0.00 O ATOM 553 CB ALA A 39 2.698 -0.216 4.844 1.00 0.00 C ATOM 0 H ALA A 39 3.173 -1.694 7.322 1.00 0.00 H new ATOM 0 HA ALA A 39 1.620 0.643 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.947 0.055 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.472 0.551 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.145 -1.173 4.575 1.00 0.00 H new ATOM 559 N SER A 40 -0.298 -0.893 5.937 1.00 0.00 N ATOM 560 CA SER A 40 -1.451 -1.782 5.895 1.00 0.00 C ATOM 561 C SER A 40 -2.047 -1.835 4.498 1.00 0.00 C ATOM 562 O SER A 40 -2.023 -2.872 3.838 1.00 0.00 O ATOM 563 CB SER A 40 -2.513 -1.323 6.895 1.00 0.00 C ATOM 564 OG SER A 40 -1.937 -0.564 7.945 1.00 0.00 O ATOM 0 H SER A 40 -0.512 0.088 5.760 1.00 0.00 H new ATOM 0 HA SER A 40 -1.114 -2.783 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.265 -0.725 6.381 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.025 -2.191 7.309 1.00 0.00 H new ATOM 0 HG SER A 40 -2.639 -0.282 8.568 1.00 0.00 H new ATOM 570 N ASP A 41 -2.530 -0.699 4.024 1.00 0.00 N ATOM 571 CA ASP A 41 -3.072 -0.587 2.689 1.00 0.00 C ATOM 572 C ASP A 41 -2.044 0.096 1.807 1.00 0.00 C ATOM 573 O ASP A 41 -2.235 1.241 1.397 1.00 0.00 O ATOM 574 CB ASP A 41 -4.379 0.209 2.695 1.00 0.00 C ATOM 575 CG ASP A 41 -5.474 -0.479 3.489 1.00 0.00 C ATOM 576 OD1 ASP A 41 -6.015 -1.492 2.997 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.792 -0.004 4.599 1.00 0.00 O ATOM 0 H ASP A 41 -2.555 0.170 4.558 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.293 -1.582 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.196 1.198 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.716 0.356 1.669 1.00 0.00 H new ATOM 582 N PHE A 42 -0.960 -0.593 1.506 1.00 0.00 N ATOM 583 CA PHE A 42 0.076 -0.015 0.660 1.00 0.00 C ATOM 584 C PHE A 42 -0.177 -0.378 -0.794 1.00 0.00 C ATOM 585 O PHE A 42 0.033 -1.518 -1.209 1.00 0.00 O ATOM 586 CB PHE A 42 1.471 -0.480 1.093 1.00 0.00 C ATOM 587 CG PHE A 42 2.592 0.241 0.391 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.512 1.603 0.140 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.725 -0.442 -0.023 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.536 2.266 -0.507 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.753 0.215 -0.672 1.00 0.00 C ATOM 592 CZ PHE A 42 4.659 1.572 -0.914 1.00 0.00 C ATOM 0 H PHE A 42 -0.771 -1.542 1.828 1.00 0.00 H new ATOM 0 HA PHE A 42 0.038 1.069 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.575 -0.336 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.563 -1.549 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.637 2.152 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.805 -1.503 0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.459 3.327 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.629 -0.332 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.461 2.089 -1.420 1.00 0.00 H new ATOM 602 N VAL A 43 -0.637 0.602 -1.562 1.00 0.00 N ATOM 603 CA VAL A 43 -0.928 0.397 -2.966 1.00 0.00 C ATOM 604 C VAL A 43 0.355 0.436 -3.793 1.00 0.00 C ATOM 605 O VAL A 43 0.889 1.501 -4.095 1.00 0.00 O ATOM 606 CB VAL A 43 -1.925 1.461 -3.465 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.321 2.858 -3.406 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.410 1.136 -4.869 1.00 0.00 C ATOM 0 H VAL A 43 -0.816 1.549 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.381 -0.587 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.787 1.445 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.050 3.585 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.049 3.094 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.431 2.896 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.112 1.902 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.560 1.107 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.906 0.166 -4.867 1.00 0.00 H new ATOM 618 N LEU A 44 0.855 -0.743 -4.136 1.00 0.00 N ATOM 619 CA LEU A 44 2.084 -0.855 -4.907 1.00 0.00 C ATOM 620 C LEU A 44 1.796 -0.914 -6.399 1.00 0.00 C ATOM 621 O LEU A 44 0.898 -1.628 -6.834 1.00 0.00 O ATOM 622 CB LEU A 44 2.855 -2.099 -4.476 1.00 0.00 C ATOM 623 CG LEU A 44 4.341 -1.877 -4.202 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.061 -3.207 -4.157 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.963 -0.974 -5.259 1.00 0.00 C ATOM 0 H LEU A 44 0.427 -1.636 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 44 2.687 0.032 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.391 -2.501 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.754 -2.857 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 44 4.443 -1.383 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.120 -3.041 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.638 -3.823 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.944 -3.716 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.021 -0.833 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.854 -1.435 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.459 -0.007 -5.254 1.00 0.00 H new ATOM 637 N ALA A 45 2.569 -0.160 -7.175 1.00 0.00 N ATOM 638 CA ALA A 45 2.406 -0.122 -8.625 1.00 0.00 C ATOM 639 C ALA A 45 3.425 -1.016 -9.321 1.00 0.00 C ATOM 640 O ALA A 45 4.603 -0.672 -9.415 1.00 0.00 O ATOM 641 CB ALA A 45 2.532 1.305 -9.133 1.00 0.00 C ATOM 0 H ALA A 45 3.318 0.436 -6.822 1.00 0.00 H new ATOM 0 HA ALA A 45 1.410 -0.498 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.408 1.318 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.762 1.924 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.516 1.697 -8.876 1.00 0.00 H new ATOM 647 N MET A 46 2.964 -2.159 -9.809 1.00 0.00 N ATOM 648 CA MET A 46 3.832 -3.101 -10.501 1.00 0.00 C ATOM 649 C MET A 46 4.277 -2.545 -11.849 1.00 0.00 C ATOM 650 O MET A 46 3.746 -2.923 -12.893 1.00 0.00 O ATOM 651 CB MET A 46 3.119 -4.437 -10.691 1.00 0.00 C ATOM 652 CG MET A 46 3.648 -5.533 -9.786 1.00 0.00 C ATOM 653 SD MET A 46 5.328 -6.030 -10.209 1.00 0.00 S ATOM 654 CE MET A 46 5.026 -7.003 -11.680 1.00 0.00 C ATOM 0 H MET A 46 1.991 -2.457 -9.738 1.00 0.00 H new ATOM 0 HA MET A 46 4.719 -3.258 -9.888 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.054 -4.303 -10.503 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.222 -4.752 -11.730 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.624 -5.188 -8.752 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.990 -6.400 -9.848 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.296 -8.042 -11.491 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.970 -6.945 -11.944 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.627 -6.616 -12.502 1.00 0.00 H new ATOM 664 N GLY A 47 5.264 -1.654 -11.808 1.00 0.00 N ATOM 665 CA GLY A 47 5.787 -1.059 -13.024 1.00 0.00 C ATOM 666 C GLY A 47 5.234 0.327 -13.304 1.00 0.00 C ATOM 667 O GLY A 47 4.464 0.514 -14.246 1.00 0.00 O ATOM 0 H GLY A 47 5.712 -1.333 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.873 -1.001 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.557 -1.711 -13.867 1.00 0.00 H new ATOM 671 N GLN A 48 5.640 1.304 -12.499 1.00 0.00 N ATOM 672 CA GLN A 48 5.191 2.684 -12.683 1.00 0.00 C ATOM 673 C GLN A 48 6.391 3.622 -12.779 1.00 0.00 C ATOM 674 O GLN A 48 6.634 4.227 -13.822 1.00 0.00 O ATOM 675 CB GLN A 48 4.270 3.115 -11.536 1.00 0.00 C ATOM 676 CG GLN A 48 2.798 3.141 -11.918 1.00 0.00 C ATOM 677 CD GLN A 48 2.396 4.420 -12.626 1.00 0.00 C ATOM 678 OE1 GLN A 48 1.841 5.332 -12.014 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.670 4.490 -13.923 1.00 0.00 N ATOM 0 H GLN A 48 6.277 1.169 -11.714 1.00 0.00 H new ATOM 0 HA GLN A 48 4.626 2.739 -13.614 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.407 2.435 -10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.567 4.107 -11.195 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.580 2.290 -12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.192 3.023 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.132 3.709 -14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.419 5.325 -14.453 1.00 0.00 H new ATOM 688 N GLY A 49 7.144 3.726 -11.690 1.00 0.00 N ATOM 689 CA GLY A 49 8.319 4.580 -11.680 1.00 0.00 C ATOM 690 C GLY A 49 9.594 3.792 -11.891 1.00 0.00 C ATOM 691 O GLY A 49 10.367 4.072 -12.809 1.00 0.00 O ATOM 0 H GLY A 49 6.963 3.235 -10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.226 5.334 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.374 5.110 -10.729 1.00 0.00 H new ATOM 695 N ARG A 50 9.809 2.797 -11.037 1.00 0.00 N ATOM 696 CA ARG A 50 10.990 1.946 -11.118 1.00 0.00 C ATOM 697 C ARG A 50 10.956 0.888 -10.018 1.00 0.00 C ATOM 698 O ARG A 50 11.813 0.866 -9.134 1.00 0.00 O ATOM 699 CB ARG A 50 12.266 2.788 -11.005 1.00 0.00 C ATOM 700 CG ARG A 50 12.410 3.496 -9.667 1.00 0.00 C ATOM 701 CD ARG A 50 13.745 3.185 -9.006 1.00 0.00 C ATOM 702 NE ARG A 50 14.866 3.319 -9.936 1.00 0.00 N ATOM 703 CZ ARG A 50 15.596 2.297 -10.385 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.335 1.054 -9.995 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.596 2.520 -11.226 1.00 0.00 N ATOM 0 H ARG A 50 9.175 2.559 -10.275 1.00 0.00 H new ATOM 0 HA ARG A 50 10.990 1.445 -12.086 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.132 2.144 -11.161 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.273 3.531 -11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.318 4.572 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.598 3.194 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.895 3.856 -8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.724 2.170 -8.608 1.00 0.00 H new ATOM 0 HE ARG A 50 15.105 4.255 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.570 0.873 -9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.900 0.280 -10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.806 3.471 -11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.156 1.740 -11.571 1.00 0.00 H new ATOM 719 N MET A 51 9.954 0.011 -10.080 1.00 0.00 N ATOM 720 CA MET A 51 9.794 -1.051 -9.090 1.00 0.00 C ATOM 721 C MET A 51 11.124 -1.744 -8.805 1.00 0.00 C ATOM 722 O MET A 51 11.692 -2.408 -9.674 1.00 0.00 O ATOM 723 CB MET A 51 8.760 -2.074 -9.568 1.00 0.00 C ATOM 724 CG MET A 51 8.145 -2.893 -8.443 1.00 0.00 C ATOM 725 SD MET A 51 6.507 -2.308 -7.964 1.00 0.00 S ATOM 726 CE MET A 51 6.838 -0.573 -7.660 1.00 0.00 C ATOM 0 H MET A 51 9.240 0.016 -10.808 1.00 0.00 H new ATOM 0 HA MET A 51 9.442 -0.596 -8.164 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.966 -1.552 -10.102 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.233 -2.750 -10.281 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.076 -3.935 -8.755 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.804 -2.862 -7.576 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.922 -0.079 -7.337 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.595 -0.478 -6.882 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.199 -0.105 -8.576 1.00 0.00 H new ATOM 736 N ILE A 52 11.614 -1.582 -7.581 1.00 0.00 N ATOM 737 CA ILE A 52 12.879 -2.191 -7.176 1.00 0.00 C ATOM 738 C ILE A 52 12.756 -3.709 -7.103 1.00 0.00 C ATOM 739 O ILE A 52 11.662 -4.243 -6.916 1.00 0.00 O ATOM 740 CB ILE A 52 13.377 -1.659 -5.811 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.203 -1.338 -4.880 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.251 -0.429 -6.011 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.613 -1.116 -3.440 1.00 0.00 C ATOM 0 H ILE A 52 11.156 -1.035 -6.852 1.00 0.00 H new ATOM 0 HA ILE A 52 13.608 -1.917 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 52 13.973 -2.441 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.694 -0.446 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.483 -2.155 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.594 -0.065 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.112 -0.690 -6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.674 0.351 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.730 -0.894 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.095 -2.015 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.309 -0.279 -3.385 1.00 0.00 H new ATOM 755 N PRO A 53 13.885 -4.426 -7.242 1.00 0.00 N ATOM 756 CA PRO A 53 13.911 -5.893 -7.188 1.00 0.00 C ATOM 757 C PRO A 53 13.257 -6.441 -5.922 1.00 0.00 C ATOM 758 O PRO A 53 12.875 -7.608 -5.867 1.00 0.00 O ATOM 759 CB PRO A 53 15.409 -6.237 -7.210 1.00 0.00 C ATOM 760 CG PRO A 53 16.119 -4.953 -6.930 1.00 0.00 C ATOM 761 CD PRO A 53 15.228 -3.868 -7.455 1.00 0.00 C ATOM 0 HA PRO A 53 13.351 -6.334 -8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.650 -6.990 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.703 -6.645 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.297 -4.830 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.093 -4.930 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.368 -2.931 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.419 -3.661 -8.508 1.00 0.00 H new ATOM 769 N GLY A 54 13.141 -5.593 -4.906 1.00 0.00 N ATOM 770 CA GLY A 54 12.544 -6.010 -3.652 1.00 0.00 C ATOM 771 C GLY A 54 11.039 -6.170 -3.728 1.00 0.00 C ATOM 772 O GLY A 54 10.507 -7.247 -3.449 1.00 0.00 O ATOM 0 H GLY A 54 13.451 -4.622 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.988 -6.957 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.786 -5.278 -2.881 1.00 0.00 H new ATOM 776 N PHE A 55 10.348 -5.099 -4.099 1.00 0.00 N ATOM 777 CA PHE A 55 8.906 -5.130 -4.200 1.00 0.00 C ATOM 778 C PHE A 55 8.462 -5.990 -5.373 1.00 0.00 C ATOM 779 O PHE A 55 7.591 -6.847 -5.232 1.00 0.00 O ATOM 780 CB PHE A 55 8.351 -3.718 -4.368 1.00 0.00 C ATOM 781 CG PHE A 55 8.306 -2.901 -3.103 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.401 -3.187 -2.085 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.168 -1.827 -2.938 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.363 -2.421 -0.938 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.133 -1.060 -1.791 1.00 0.00 C ATOM 786 CZ PHE A 55 8.229 -1.357 -0.790 1.00 0.00 C ATOM 0 H PHE A 55 10.769 -4.200 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 55 8.518 -5.563 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.958 -3.190 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.343 -3.786 -4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.720 -4.018 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.876 -1.588 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.655 -2.654 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.812 -0.228 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.200 -0.757 0.108 1.00 0.00 H new ATOM 796 N GLU A 56 9.066 -5.757 -6.536 1.00 0.00 N ATOM 797 CA GLU A 56 8.727 -6.518 -7.733 1.00 0.00 C ATOM 798 C GLU A 56 8.830 -8.019 -7.476 1.00 0.00 C ATOM 799 O GLU A 56 8.275 -8.815 -8.225 1.00 0.00 O ATOM 800 CB GLU A 56 9.627 -6.121 -8.906 1.00 0.00 C ATOM 801 CG GLU A 56 11.076 -6.549 -8.745 1.00 0.00 C ATOM 802 CD GLU A 56 11.621 -7.241 -9.978 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.588 -6.626 -11.064 1.00 0.00 O ATOM 804 OE2 GLU A 56 12.081 -8.395 -9.857 1.00 0.00 O ATOM 0 H GLU A 56 9.789 -5.051 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 56 7.695 -6.283 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.229 -6.560 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.590 -5.039 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.687 -5.674 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.160 -7.220 -7.890 1.00 0.00 H new ATOM 811 N ASP A 57 9.542 -8.401 -6.416 1.00 0.00 N ATOM 812 CA ASP A 57 9.699 -9.810 -6.077 1.00 0.00 C ATOM 813 C ASP A 57 8.467 -10.335 -5.344 1.00 0.00 C ATOM 814 O ASP A 57 7.660 -11.068 -5.918 1.00 0.00 O ATOM 815 CB ASP A 57 10.946 -10.024 -5.218 1.00 0.00 C ATOM 816 CG ASP A 57 11.879 -11.065 -5.807 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.388 -12.143 -6.203 1.00 0.00 O ATOM 818 OD2 ASP A 57 13.097 -10.802 -5.875 1.00 0.00 O ATOM 0 H ASP A 57 10.016 -7.757 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 57 9.813 -10.365 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.479 -9.079 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.646 -10.333 -4.217 1.00 0.00 H new ATOM 823 N GLY A 58 8.337 -9.975 -4.069 1.00 0.00 N ATOM 824 CA GLY A 58 7.213 -10.441 -3.276 1.00 0.00 C ATOM 825 C GLY A 58 5.897 -9.896 -3.773 1.00 0.00 C ATOM 826 O GLY A 58 4.971 -10.651 -4.073 1.00 0.00 O ATOM 0 H GLY A 58 8.990 -9.369 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.184 -11.530 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.357 -10.145 -2.237 1.00 0.00 H new ATOM 830 N ILE A 59 5.822 -8.579 -3.858 1.00 0.00 N ATOM 831 CA ILE A 59 4.639 -7.884 -4.314 1.00 0.00 C ATOM 832 C ILE A 59 4.528 -7.945 -5.822 1.00 0.00 C ATOM 833 O ILE A 59 4.081 -7.007 -6.482 1.00 0.00 O ATOM 834 CB ILE A 59 4.685 -6.430 -3.828 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.115 -6.403 -2.359 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.337 -5.755 -4.010 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.612 -6.404 -2.164 1.00 0.00 C ATOM 0 H ILE A 59 6.592 -7.958 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 59 3.756 -8.370 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 59 5.411 -5.876 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.696 -5.516 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.691 -7.268 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.395 -4.725 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.066 -5.763 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.581 -6.292 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.840 -6.384 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.036 -7.304 -2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.042 -5.525 -2.644 1.00 0.00 H new ATOM 849 N LYS A 60 4.872 -9.112 -6.327 1.00 0.00 N ATOM 850 CA LYS A 60 4.744 -9.387 -7.740 1.00 0.00 C ATOM 851 C LYS A 60 3.311 -9.026 -8.111 1.00 0.00 C ATOM 852 O LYS A 60 3.048 -8.284 -9.053 1.00 0.00 O ATOM 853 CB LYS A 60 5.029 -10.860 -8.037 1.00 0.00 C ATOM 854 CG LYS A 60 6.430 -11.107 -8.566 1.00 0.00 C ATOM 855 CD LYS A 60 6.404 -11.693 -9.966 1.00 0.00 C ATOM 856 CE LYS A 60 6.381 -13.210 -9.933 1.00 0.00 C ATOM 857 NZ LYS A 60 5.382 -13.769 -10.882 1.00 0.00 N ATOM 0 H LYS A 60 5.243 -9.886 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 60 5.462 -8.809 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.885 -11.441 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.304 -11.223 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.987 -10.170 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.958 -11.786 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.527 -11.326 -10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.279 -11.353 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.371 -13.594 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.151 -13.548 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.397 -14.808 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.434 -13.423 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.616 -13.468 -11.850 1.00 0.00 H new ATOM 871 N GLY A 61 2.400 -9.619 -7.349 1.00 0.00 N ATOM 872 CA GLY A 61 0.982 -9.441 -7.552 1.00 0.00 C ATOM 873 C GLY A 61 0.391 -10.713 -8.095 1.00 0.00 C ATOM 874 O GLY A 61 -0.416 -10.709 -9.024 1.00 0.00 O ATOM 0 H GLY A 61 2.633 -10.238 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.499 -9.175 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.803 -8.619 -8.245 1.00 0.00 H new ATOM 878 N HIS A 62 0.833 -11.815 -7.507 1.00 0.00 N ATOM 879 CA HIS A 62 0.386 -13.141 -7.930 1.00 0.00 C ATOM 880 C HIS A 62 -0.150 -13.969 -6.768 1.00 0.00 C ATOM 881 O HIS A 62 -0.361 -15.174 -6.904 1.00 0.00 O ATOM 882 CB HIS A 62 1.526 -13.895 -8.629 1.00 0.00 C ATOM 883 CG HIS A 62 2.759 -14.102 -7.792 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.584 -15.197 -7.943 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.324 -13.347 -6.813 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.597 -15.111 -7.100 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.465 -13.999 -6.404 1.00 0.00 N ATOM 0 H HIS A 62 1.500 -11.821 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.434 -12.991 -8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.155 -14.869 -8.949 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.804 -13.348 -9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.948 -12.411 -6.428 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.397 -15.829 -6.998 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.105 -13.674 -5.679 1.00 0.00 H new ATOM 895 N LYS A 63 -0.380 -13.322 -5.636 1.00 0.00 N ATOM 896 CA LYS A 63 -0.899 -14.004 -4.460 1.00 0.00 C ATOM 897 C LYS A 63 -1.832 -13.084 -3.676 1.00 0.00 C ATOM 898 O LYS A 63 -1.438 -12.490 -2.673 1.00 0.00 O ATOM 899 CB LYS A 63 0.251 -14.473 -3.567 1.00 0.00 C ATOM 900 CG LYS A 63 1.083 -15.596 -4.168 1.00 0.00 C ATOM 901 CD LYS A 63 2.563 -15.431 -3.845 1.00 0.00 C ATOM 902 CE LYS A 63 3.214 -16.759 -3.486 1.00 0.00 C ATOM 903 NZ LYS A 63 4.020 -16.665 -2.235 1.00 0.00 N ATOM 0 H LYS A 63 -0.215 -12.324 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.466 -14.875 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.902 -13.625 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.157 -14.807 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.731 -16.555 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.945 -15.613 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.076 -14.995 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.679 -14.733 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.443 -17.520 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.854 -17.083 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.757 -17.398 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.465 -15.727 -2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.400 -16.804 -1.411 1.00 0.00 H new ATOM 917 N ALA A 64 -3.078 -12.989 -4.132 1.00 0.00 N ATOM 918 CA ALA A 64 -4.080 -12.162 -3.470 1.00 0.00 C ATOM 919 C ALA A 64 -4.313 -12.609 -2.026 1.00 0.00 C ATOM 920 O ALA A 64 -5.068 -13.549 -1.777 1.00 0.00 O ATOM 921 CB ALA A 64 -5.383 -12.192 -4.254 1.00 0.00 C ATOM 0 H ALA A 64 -3.418 -13.477 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.705 -11.139 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.125 -11.571 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.211 -11.809 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.748 -13.217 -4.314 1.00 0.00 H new ATOM 927 N GLY A 65 -3.673 -11.930 -1.077 1.00 0.00 N ATOM 928 CA GLY A 65 -3.840 -12.282 0.324 1.00 0.00 C ATOM 929 C GLY A 65 -2.698 -13.127 0.855 1.00 0.00 C ATOM 930 O GLY A 65 -2.909 -14.038 1.656 1.00 0.00 O ATOM 0 H GLY A 65 -3.044 -11.146 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.918 -11.371 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.777 -12.825 0.449 1.00 0.00 H new ATOM 934 N GLU A 66 -1.486 -12.835 0.395 1.00 0.00 N ATOM 935 CA GLU A 66 -0.300 -13.577 0.814 1.00 0.00 C ATOM 936 C GLU A 66 0.469 -12.856 1.914 1.00 0.00 C ATOM 937 O GLU A 66 0.216 -11.688 2.204 1.00 0.00 O ATOM 938 CB GLU A 66 0.617 -13.797 -0.386 1.00 0.00 C ATOM 939 CG GLU A 66 1.290 -15.161 -0.408 1.00 0.00 C ATOM 940 CD GLU A 66 0.301 -16.307 -0.322 1.00 0.00 C ATOM 941 OE1 GLU A 66 -0.123 -16.646 0.804 1.00 0.00 O ATOM 942 OE2 GLU A 66 -0.046 -16.871 -1.382 1.00 0.00 O ATOM 0 H GLU A 66 -1.298 -12.086 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.635 -14.533 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.037 -13.675 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.385 -13.024 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.873 -15.258 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.990 -15.229 0.424 1.00 0.00 H new ATOM 949 N GLU A 67 1.428 -13.568 2.503 1.00 0.00 N ATOM 950 CA GLU A 67 2.279 -13.021 3.558 1.00 0.00 C ATOM 951 C GLU A 67 3.733 -13.412 3.305 1.00 0.00 C ATOM 952 O GLU A 67 4.124 -14.557 3.530 1.00 0.00 O ATOM 953 CB GLU A 67 1.827 -13.519 4.932 1.00 0.00 C ATOM 954 CG GLU A 67 0.375 -13.199 5.249 1.00 0.00 C ATOM 955 CD GLU A 67 -0.227 -14.161 6.255 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.114 -13.896 7.471 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.810 -15.178 5.826 1.00 0.00 O ATOM 0 H GLU A 67 1.637 -14.537 2.263 1.00 0.00 H new ATOM 0 HA GLU A 67 2.194 -11.934 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.972 -14.598 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.463 -13.075 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.307 -12.183 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.209 -13.228 4.329 1.00 0.00 H new ATOM 964 N PHE A 68 4.525 -12.465 2.812 1.00 0.00 N ATOM 965 CA PHE A 68 5.927 -12.722 2.496 1.00 0.00 C ATOM 966 C PHE A 68 6.818 -11.581 2.973 1.00 0.00 C ATOM 967 O PHE A 68 6.337 -10.508 3.319 1.00 0.00 O ATOM 968 CB PHE A 68 6.088 -12.903 0.994 1.00 0.00 C ATOM 969 CG PHE A 68 5.457 -11.789 0.226 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.129 -10.595 0.046 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.183 -11.927 -0.289 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.542 -9.553 -0.644 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.587 -10.893 -0.977 1.00 0.00 C ATOM 974 CZ PHE A 68 4.264 -9.703 -1.158 1.00 0.00 C ATOM 0 H PHE A 68 4.220 -11.511 2.622 1.00 0.00 H new ATOM 0 HA PHE A 68 6.232 -13.632 3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.148 -12.959 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.640 -13.850 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.124 -10.476 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.648 -12.855 -0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.077 -8.625 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.590 -11.013 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.799 -8.892 -1.698 1.00 0.00 H new ATOM 984 N THR A 69 8.120 -11.817 2.978 1.00 0.00 N ATOM 985 CA THR A 69 9.072 -10.800 3.402 1.00 0.00 C ATOM 986 C THR A 69 10.137 -10.585 2.339 1.00 0.00 C ATOM 987 O THR A 69 10.756 -11.539 1.867 1.00 0.00 O ATOM 988 CB THR A 69 9.725 -11.203 4.725 1.00 0.00 C ATOM 989 OG1 THR A 69 8.742 -11.450 5.713 1.00 0.00 O ATOM 990 CG2 THR A 69 10.669 -10.153 5.269 1.00 0.00 C ATOM 0 H THR A 69 8.542 -12.701 2.694 1.00 0.00 H new ATOM 0 HA THR A 69 8.532 -9.864 3.545 1.00 0.00 H new ATOM 0 HB THR A 69 10.297 -12.104 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.179 -11.708 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.098 -10.501 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.468 -9.974 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.122 -9.226 5.442 1.00 0.00 H new ATOM 998 N ILE A 70 10.358 -9.327 1.961 1.00 0.00 N ATOM 999 CA ILE A 70 11.359 -9.022 0.954 1.00 0.00 C ATOM 1000 C ILE A 70 12.223 -7.856 1.386 1.00 0.00 C ATOM 1001 O ILE A 70 11.886 -7.127 2.320 1.00 0.00 O ATOM 1002 CB ILE A 70 10.719 -8.700 -0.418 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.945 -7.379 -0.370 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.808 -9.837 -0.855 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.719 -7.419 0.510 1.00 0.00 C ATOM 0 H ILE A 70 9.863 -8.517 2.333 1.00 0.00 H new ATOM 0 HA ILE A 70 11.977 -9.914 0.847 1.00 0.00 H new ATOM 0 HB ILE A 70 11.520 -8.592 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.610 -6.592 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.645 -7.108 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.365 -9.597 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.388 -10.756 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.017 -9.974 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.226 -6.447 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.032 -8.181 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.013 -7.657 1.532 1.00 0.00 H new ATOM 1017 N ASP A 71 13.323 -7.664 0.680 1.00 0.00 N ATOM 1018 CA ASP A 71 14.219 -6.562 0.962 1.00 0.00 C ATOM 1019 C ASP A 71 13.818 -5.389 0.089 1.00 0.00 C ATOM 1020 O ASP A 71 13.329 -5.588 -1.020 1.00 0.00 O ATOM 1021 CB ASP A 71 15.669 -6.960 0.679 1.00 0.00 C ATOM 1022 CG ASP A 71 16.063 -8.249 1.371 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.729 -9.333 0.846 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.707 -8.177 2.440 1.00 0.00 O ATOM 0 H ASP A 71 13.616 -8.260 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 71 14.148 -6.289 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.808 -7.071 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.332 -6.159 1.005 1.00 0.00 H new ATOM 1029 N VAL A 72 14.025 -4.175 0.564 1.00 0.00 N ATOM 1030 CA VAL A 72 13.674 -3.005 -0.230 1.00 0.00 C ATOM 1031 C VAL A 72 14.644 -1.864 0.006 1.00 0.00 C ATOM 1032 O VAL A 72 14.936 -1.505 1.145 1.00 0.00 O ATOM 1033 CB VAL A 72 12.246 -2.508 0.065 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.218 -3.352 -0.676 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.981 -2.508 1.560 1.00 0.00 C ATOM 0 H VAL A 72 14.427 -3.971 1.479 1.00 0.00 H new ATOM 0 HA VAL A 72 13.728 -3.323 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 72 12.156 -1.483 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.216 -2.984 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.399 -3.286 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.302 -4.391 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.968 -2.154 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.091 -3.520 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.694 -1.850 2.056 1.00 0.00 H new ATOM 1045 N THR A 73 15.120 -1.276 -1.077 1.00 0.00 N ATOM 1046 CA THR A 73 16.040 -0.153 -1.008 1.00 0.00 C ATOM 1047 C THR A 73 15.789 0.742 -2.209 1.00 0.00 C ATOM 1048 O THR A 73 15.867 0.291 -3.352 1.00 0.00 O ATOM 1049 CB THR A 73 17.495 -0.632 -0.996 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.809 -1.277 0.229 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.495 0.489 -1.195 1.00 0.00 C ATOM 0 H THR A 73 14.881 -1.562 -2.027 1.00 0.00 H new ATOM 0 HA THR A 73 15.871 0.399 -0.084 1.00 0.00 H new ATOM 0 HB THR A 73 17.575 -1.324 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.742 -1.575 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.506 0.082 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.315 0.970 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.384 1.222 -0.396 1.00 0.00 H new ATOM 1059 N PHE A 74 15.473 2.000 -1.957 1.00 0.00 N ATOM 1060 CA PHE A 74 15.194 2.930 -3.034 1.00 0.00 C ATOM 1061 C PHE A 74 16.475 3.565 -3.579 1.00 0.00 C ATOM 1062 O PHE A 74 17.292 4.088 -2.820 1.00 0.00 O ATOM 1063 CB PHE A 74 14.209 3.984 -2.549 1.00 0.00 C ATOM 1064 CG PHE A 74 12.831 3.419 -2.339 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.613 2.392 -1.429 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.761 3.900 -3.067 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.345 1.863 -1.254 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.493 3.378 -2.896 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.283 2.358 -1.989 1.00 0.00 C ATOM 0 H PHE A 74 15.404 2.399 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 74 14.745 2.382 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.570 4.414 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.161 4.795 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.440 2.003 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.917 4.696 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.186 1.065 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.666 3.768 -3.472 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.293 1.948 -1.854 1.00 0.00 H new ATOM 1079 N PRO A 75 16.670 3.515 -4.911 1.00 0.00 N ATOM 1080 CA PRO A 75 17.863 4.074 -5.564 1.00 0.00 C ATOM 1081 C PRO A 75 17.909 5.597 -5.523 1.00 0.00 C ATOM 1082 O PRO A 75 17.019 6.243 -4.969 1.00 0.00 O ATOM 1083 CB PRO A 75 17.730 3.597 -7.011 1.00 0.00 C ATOM 1084 CG PRO A 75 16.269 3.380 -7.207 1.00 0.00 C ATOM 1085 CD PRO A 75 15.749 2.898 -5.885 1.00 0.00 C ATOM 0 HA PRO A 75 18.776 3.751 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.117 4.339 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.292 2.678 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.773 4.302 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.084 2.646 -7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.719 3.213 -5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.764 1.810 -5.819 1.00 0.00 H new ATOM 1093 N GLU A 76 18.955 6.161 -6.121 1.00 0.00 N ATOM 1094 CA GLU A 76 19.126 7.607 -6.167 1.00 0.00 C ATOM 1095 C GLU A 76 18.201 8.237 -7.211 1.00 0.00 C ATOM 1096 O GLU A 76 18.088 9.459 -7.295 1.00 0.00 O ATOM 1097 CB GLU A 76 20.585 7.962 -6.473 1.00 0.00 C ATOM 1098 CG GLU A 76 21.350 8.480 -5.263 1.00 0.00 C ATOM 1099 CD GLU A 76 22.380 7.489 -4.754 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.455 7.376 -5.379 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.109 6.826 -3.731 1.00 0.00 O ATOM 0 H GLU A 76 19.698 5.635 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 76 18.861 8.009 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.092 7.079 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.610 8.717 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.848 9.413 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.645 8.709 -4.463 1.00 0.00 H new ATOM 1108 N GLU A 77 17.540 7.394 -8.003 1.00 0.00 N ATOM 1109 CA GLU A 77 16.627 7.866 -9.036 1.00 0.00 C ATOM 1110 C GLU A 77 15.225 8.058 -8.467 1.00 0.00 C ATOM 1111 O GLU A 77 14.514 8.994 -8.833 1.00 0.00 O ATOM 1112 CB GLU A 77 16.592 6.876 -10.203 1.00 0.00 C ATOM 1113 CG GLU A 77 17.945 6.252 -10.510 1.00 0.00 C ATOM 1114 CD GLU A 77 18.005 5.627 -11.889 1.00 0.00 C ATOM 1115 OE1 GLU A 77 17.623 6.305 -12.865 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.435 4.459 -11.993 1.00 0.00 O ATOM 0 H GLU A 77 17.622 6.379 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 77 16.987 8.828 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.879 6.084 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.227 7.388 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.719 7.015 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.167 5.491 -9.762 1.00 0.00 H new ATOM 1123 N TYR A 78 14.837 7.165 -7.560 1.00 0.00 N ATOM 1124 CA TYR A 78 13.524 7.232 -6.926 1.00 0.00 C ATOM 1125 C TYR A 78 13.428 8.463 -6.034 1.00 0.00 C ATOM 1126 O TYR A 78 12.713 9.415 -6.347 1.00 0.00 O ATOM 1127 CB TYR A 78 13.274 5.967 -6.101 1.00 0.00 C ATOM 1128 CG TYR A 78 11.816 5.597 -5.974 1.00 0.00 C ATOM 1129 CD1 TYR A 78 10.953 6.336 -5.171 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.304 4.503 -6.655 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.620 5.991 -5.055 1.00 0.00 C ATOM 1132 CE2 TYR A 78 9.974 4.152 -6.544 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.136 4.898 -5.743 1.00 0.00 C ATOM 1134 OH TYR A 78 7.811 4.551 -5.628 1.00 0.00 O ATOM 0 H TYR A 78 15.415 6.385 -7.247 1.00 0.00 H new ATOM 0 HA TYR A 78 12.765 7.304 -7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.811 5.136 -6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.691 6.107 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.330 7.192 -4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.957 3.916 -7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.961 6.574 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.592 3.297 -7.082 1.00 0.00 H new ATOM 0 HH TYR A 78 7.631 3.759 -6.177 1.00 0.00 H new ATOM 1144 N HIS A 79 14.168 8.432 -4.930 1.00 0.00 N ATOM 1145 CA HIS A 79 14.205 9.534 -3.973 1.00 0.00 C ATOM 1146 C HIS A 79 12.851 10.230 -3.824 1.00 0.00 C ATOM 1147 O HIS A 79 12.701 11.399 -4.181 1.00 0.00 O ATOM 1148 CB HIS A 79 15.276 10.541 -4.385 1.00 0.00 C ATOM 1149 CG HIS A 79 16.652 10.129 -3.966 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.734 10.981 -3.980 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.119 8.940 -3.511 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.806 10.339 -3.551 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.459 9.100 -3.259 1.00 0.00 N ATOM 0 H HIS A 79 14.760 7.642 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 79 14.451 9.111 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.253 10.666 -5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.043 11.512 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.544 8.036 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.797 10.757 -3.456 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.085 8.378 -2.903 1.00 0.00 H new ATOM 1161 N ALA A 80 11.869 9.512 -3.279 1.00 0.00 N ATOM 1162 CA ALA A 80 10.541 10.075 -3.071 1.00 0.00 C ATOM 1163 C ALA A 80 10.539 11.012 -1.868 1.00 0.00 C ATOM 1164 O ALA A 80 11.176 10.743 -0.855 1.00 0.00 O ATOM 1165 CB ALA A 80 9.513 8.969 -2.888 1.00 0.00 C ATOM 0 H ALA A 80 11.970 8.543 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 80 10.271 10.651 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.528 9.410 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.494 8.339 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.779 8.364 -2.021 1.00 0.00 H new ATOM 1171 N GLU A 81 9.830 12.122 -1.993 1.00 0.00 N ATOM 1172 CA GLU A 81 9.758 13.114 -0.926 1.00 0.00 C ATOM 1173 C GLU A 81 9.444 12.494 0.440 1.00 0.00 C ATOM 1174 O GLU A 81 9.757 13.082 1.474 1.00 0.00 O ATOM 1175 CB GLU A 81 8.701 14.165 -1.263 1.00 0.00 C ATOM 1176 CG GLU A 81 8.804 15.421 -0.414 1.00 0.00 C ATOM 1177 CD GLU A 81 8.486 16.680 -1.196 1.00 0.00 C ATOM 1178 OE1 GLU A 81 9.190 16.954 -2.191 1.00 0.00 O ATOM 1179 OE2 GLU A 81 7.534 17.391 -0.814 1.00 0.00 O ATOM 0 H GLU A 81 9.293 12.362 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 81 10.743 13.575 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.793 14.438 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.711 13.728 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.121 15.341 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.811 15.497 -0.004 1.00 0.00 H new ATOM 1186 N ASN A 82 8.799 11.330 0.449 1.00 0.00 N ATOM 1187 CA ASN A 82 8.426 10.687 1.709 1.00 0.00 C ATOM 1188 C ASN A 82 9.440 9.642 2.193 1.00 0.00 C ATOM 1189 O ASN A 82 9.690 9.536 3.393 1.00 0.00 O ATOM 1190 CB ASN A 82 7.040 10.050 1.585 1.00 0.00 C ATOM 1191 CG ASN A 82 6.936 9.093 0.415 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.341 9.411 -0.614 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.520 7.913 0.570 1.00 0.00 N ATOM 0 H ASN A 82 8.526 10.817 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 82 8.414 11.476 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.807 9.517 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.293 10.836 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.487 7.225 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.002 7.693 1.441 1.00 0.00 H new ATOM 1200 N LEU A 83 10.007 8.854 1.280 1.00 0.00 N ATOM 1201 CA LEU A 83 10.963 7.812 1.682 1.00 0.00 C ATOM 1202 C LEU A 83 12.225 7.802 0.823 1.00 0.00 C ATOM 1203 O LEU A 83 12.961 6.821 0.800 1.00 0.00 O ATOM 1204 CB LEU A 83 10.284 6.433 1.647 1.00 0.00 C ATOM 1205 CG LEU A 83 10.189 5.732 0.278 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.074 6.716 -0.879 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.379 4.823 0.065 1.00 0.00 C ATOM 0 H LEU A 83 9.829 8.911 0.277 1.00 0.00 H new ATOM 0 HA LEU A 83 11.277 8.043 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.822 5.774 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.274 6.543 2.041 1.00 0.00 H new ATOM 0 HG LEU A 83 9.274 5.140 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.010 6.167 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.178 7.324 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.951 7.363 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.296 4.336 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.296 5.411 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.404 4.066 0.849 1.00 0.00 H new ATOM 1219 N LYS A 84 12.465 8.891 0.119 1.00 0.00 N ATOM 1220 CA LYS A 84 13.632 9.021 -0.759 1.00 0.00 C ATOM 1221 C LYS A 84 14.866 8.260 -0.249 1.00 0.00 C ATOM 1222 O LYS A 84 15.306 8.450 0.885 1.00 0.00 O ATOM 1223 CB LYS A 84 13.987 10.494 -0.948 1.00 0.00 C ATOM 1224 CG LYS A 84 14.160 11.250 0.359 1.00 0.00 C ATOM 1225 CD LYS A 84 14.661 12.665 0.117 1.00 0.00 C ATOM 1226 CE LYS A 84 16.179 12.711 0.032 1.00 0.00 C ATOM 1227 NZ LYS A 84 16.765 13.642 1.037 1.00 0.00 N ATOM 0 H LYS A 84 11.863 9.714 0.133 1.00 0.00 H new ATOM 0 HA LYS A 84 13.349 8.572 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.909 10.566 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.205 10.975 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.209 11.285 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.863 10.717 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.232 13.051 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.321 13.316 0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.582 11.710 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.477 13.023 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.801 13.644 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.401 14.603 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.502 13.330 1.994 1.00 0.00 H new ATOM 1241 N GLY A 85 15.424 7.420 -1.124 1.00 0.00 N ATOM 1242 CA GLY A 85 16.619 6.648 -0.796 1.00 0.00 C ATOM 1243 C GLY A 85 16.544 5.923 0.536 1.00 0.00 C ATOM 1244 O GLY A 85 17.440 6.057 1.369 1.00 0.00 O ATOM 0 H GLY A 85 15.065 7.259 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.794 5.917 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.479 7.318 -0.785 1.00 0.00 H new ATOM 1248 N LYS A 86 15.484 5.149 0.742 1.00 0.00 N ATOM 1249 CA LYS A 86 15.323 4.403 1.986 1.00 0.00 C ATOM 1250 C LYS A 86 15.740 2.938 1.845 1.00 0.00 C ATOM 1251 O LYS A 86 14.921 2.085 1.501 1.00 0.00 O ATOM 1252 CB LYS A 86 13.880 4.485 2.474 1.00 0.00 C ATOM 1253 CG LYS A 86 13.760 4.889 3.934 1.00 0.00 C ATOM 1254 CD LYS A 86 13.174 6.284 4.085 1.00 0.00 C ATOM 1255 CE LYS A 86 14.167 7.358 3.667 1.00 0.00 C ATOM 1256 NZ LYS A 86 13.762 8.710 4.142 1.00 0.00 N ATOM 0 H LYS A 86 14.728 5.022 0.069 1.00 0.00 H new ATOM 0 HA LYS A 86 15.984 4.864 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.337 5.203 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.400 3.517 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.131 4.171 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.743 4.855 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.271 6.367 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.879 6.445 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.152 7.115 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.255 7.367 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.165 9.434 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.725 8.784 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.113 8.857 5.110 1.00 0.00 H new ATOM 1270 N ALA A 87 17.001 2.643 2.144 1.00 0.00 N ATOM 1271 CA ALA A 87 17.500 1.270 2.085 1.00 0.00 C ATOM 1272 C ALA A 87 17.036 0.511 3.325 1.00 0.00 C ATOM 1273 O ALA A 87 17.625 0.651 4.396 1.00 0.00 O ATOM 1274 CB ALA A 87 19.019 1.267 1.985 1.00 0.00 C ATOM 0 H ALA A 87 17.696 3.333 2.429 1.00 0.00 H new ATOM 0 HA ALA A 87 17.103 0.775 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.379 0.239 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.325 1.797 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.442 1.763 2.859 1.00 0.00 H new ATOM 1280 N ALA A 88 15.950 -0.253 3.198 1.00 0.00 N ATOM 1281 CA ALA A 88 15.398 -0.968 4.348 1.00 0.00 C ATOM 1282 C ALA A 88 15.015 -2.421 4.060 1.00 0.00 C ATOM 1283 O ALA A 88 15.286 -2.969 2.992 1.00 0.00 O ATOM 1284 CB ALA A 88 14.179 -0.207 4.860 1.00 0.00 C ATOM 0 H ALA A 88 15.442 -0.391 2.324 1.00 0.00 H new ATOM 0 HA ALA A 88 16.187 -1.013 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.758 -0.730 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.476 0.798 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.431 -0.145 4.070 1.00 0.00 H new ATOM 1290 N LYS A 89 14.343 -3.007 5.048 1.00 0.00 N ATOM 1291 CA LYS A 89 13.843 -4.375 4.984 1.00 0.00 C ATOM 1292 C LYS A 89 12.363 -4.338 5.313 1.00 0.00 C ATOM 1293 O LYS A 89 11.967 -3.627 6.232 1.00 0.00 O ATOM 1294 CB LYS A 89 14.580 -5.278 5.977 1.00 0.00 C ATOM 1295 CG LYS A 89 15.923 -5.774 5.472 1.00 0.00 C ATOM 1296 CD LYS A 89 16.894 -6.012 6.616 1.00 0.00 C ATOM 1297 CE LYS A 89 17.340 -4.704 7.248 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.637 -4.231 6.689 1.00 0.00 N ATOM 0 H LYS A 89 14.128 -2.537 5.927 1.00 0.00 H new ATOM 0 HA LYS A 89 14.009 -4.784 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.731 -4.732 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.950 -6.136 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.784 -6.699 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.345 -5.045 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.421 -6.640 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.765 -6.556 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.576 -3.944 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.436 -4.836 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.906 -3.336 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.372 -4.945 6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.539 -4.081 5.665 1.00 0.00 H new ATOM 1312 N PHE A 90 11.553 -5.118 4.607 1.00 0.00 N ATOM 1313 CA PHE A 90 10.113 -5.159 4.883 1.00 0.00 C ATOM 1314 C PHE A 90 9.574 -6.580 4.867 1.00 0.00 C ATOM 1315 O PHE A 90 10.088 -7.439 4.152 1.00 0.00 O ATOM 1316 CB PHE A 90 9.303 -4.400 3.823 1.00 0.00 C ATOM 1317 CG PHE A 90 9.519 -2.919 3.728 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.309 -2.233 4.627 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.893 -2.217 2.719 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.478 -0.865 4.520 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.052 -0.849 2.604 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.846 -0.171 3.507 1.00 0.00 C ATOM 0 H PHE A 90 11.859 -5.726 3.847 1.00 0.00 H new ATOM 0 HA PHE A 90 10.003 -4.703 5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.526 -4.837 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.245 -4.576 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.801 -2.771 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.271 -2.743 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.103 -0.340 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.556 -0.312 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.972 0.898 3.422 1.00 0.00 H new ATOM 1332 N ALA A 91 8.488 -6.802 5.596 1.00 0.00 N ATOM 1333 CA ALA A 91 7.818 -8.087 5.608 1.00 0.00 C ATOM 1334 C ALA A 91 6.384 -7.781 5.211 1.00 0.00 C ATOM 1335 O ALA A 91 5.627 -7.173 5.968 1.00 0.00 O ATOM 1336 CB ALA A 91 7.892 -8.735 6.982 1.00 0.00 C ATOM 0 H ALA A 91 8.052 -6.098 6.191 1.00 0.00 H new ATOM 0 HA ALA A 91 8.284 -8.799 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.380 -9.697 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.936 -8.886 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.413 -8.087 7.716 1.00 0.00 H new ATOM 1342 N ILE A 92 6.073 -8.095 3.961 1.00 0.00 N ATOM 1343 CA ILE A 92 4.788 -7.744 3.372 1.00 0.00 C ATOM 1344 C ILE A 92 3.767 -8.876 3.283 1.00 0.00 C ATOM 1345 O ILE A 92 4.095 -10.056 3.336 1.00 0.00 O ATOM 1346 CB ILE A 92 5.033 -7.210 1.946 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.164 -6.170 1.951 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.758 -6.643 1.351 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.192 -5.267 0.740 1.00 0.00 C ATOM 0 H ILE A 92 6.699 -8.596 3.331 1.00 0.00 H new ATOM 0 HA ILE A 92 4.355 -7.004 4.045 1.00 0.00 H new ATOM 0 HB ILE A 92 5.344 -8.042 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.070 -5.554 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.119 -6.691 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.959 -6.273 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.999 -7.424 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.399 -5.824 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.022 -4.565 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.320 -5.869 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.255 -4.714 0.677 1.00 0.00 H new ATOM 1361 N ASN A 93 2.514 -8.464 3.092 1.00 0.00 N ATOM 1362 CA ASN A 93 1.394 -9.379 2.925 1.00 0.00 C ATOM 1363 C ASN A 93 0.512 -8.896 1.768 1.00 0.00 C ATOM 1364 O ASN A 93 -0.218 -7.914 1.906 1.00 0.00 O ATOM 1365 CB ASN A 93 0.571 -9.480 4.212 1.00 0.00 C ATOM 1366 CG ASN A 93 1.436 -9.641 5.447 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.384 -10.425 5.456 1.00 0.00 O ATOM 1368 ND2 ASN A 93 1.108 -8.898 6.498 1.00 0.00 N ATOM 0 H ASN A 93 2.250 -7.480 3.049 1.00 0.00 H new ATOM 0 HA ASN A 93 1.783 -10.372 2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.043 -8.586 4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.110 -10.327 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.651 -8.964 7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.313 -8.261 6.444 1.00 0.00 H new ATOM 1375 N LEU A 94 0.601 -9.573 0.620 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.173 -9.187 -0.565 1.00 0.00 C ATOM 1377 C LEU A 94 -1.670 -9.377 -0.358 1.00 0.00 C ATOM 1378 O LEU A 94 -2.093 -10.219 0.430 1.00 0.00 O ATOM 1379 CB LEU A 94 0.280 -9.983 -1.789 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.172 -9.413 -3.135 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.585 -8.132 -3.454 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.026 -10.439 -4.238 1.00 0.00 C ATOM 0 H LEU A 94 1.199 -10.388 0.485 1.00 0.00 H new ATOM 0 HA LEU A 94 0.013 -8.126 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.368 -10.041 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.094 -11.003 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.234 -9.176 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.250 -7.741 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.394 -7.393 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.653 -8.343 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.300 -10.018 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.081 -10.706 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.561 -11.330 -4.015 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.468 -8.592 -1.087 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.919 -8.680 -0.993 1.00 0.00 C ATOM 1396 C LYS A 95 -4.576 -8.399 -2.351 1.00 0.00 C ATOM 1397 O LYS A 95 -4.527 -9.234 -3.252 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.447 -7.721 0.084 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.154 -8.181 1.505 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.432 -8.473 2.278 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.627 -7.495 3.427 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.405 -8.142 4.748 1.00 0.00 N ATOM 0 H LYS A 95 -2.130 -7.891 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.182 -9.697 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.004 -6.737 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.524 -7.609 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.533 -9.077 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.582 -7.413 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.287 -8.418 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.398 -9.491 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.939 -6.658 3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.636 -7.085 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.547 -7.443 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.079 -8.925 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.434 -8.511 4.795 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.227 -7.248 -2.481 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.922 -6.916 -3.717 1.00 0.00 C ATOM 1418 C LYS A 96 -4.965 -6.546 -4.838 1.00 0.00 C ATOM 1419 O LYS A 96 -4.444 -5.432 -4.886 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.899 -5.766 -3.478 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.948 -6.074 -2.425 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.056 -5.035 -2.420 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.420 -5.679 -2.238 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.715 -5.947 -0.804 1.00 0.00 N ATOM 0 H LYS A 96 -5.287 -6.536 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.465 -7.809 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.340 -4.881 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.398 -5.522 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.374 -7.060 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.478 -6.111 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.881 -4.318 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.038 -4.477 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.189 -5.026 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.459 -6.613 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.654 -6.387 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.995 -6.590 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.702 -5.052 -0.274 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.767 -7.482 -5.760 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.908 -7.269 -6.917 1.00 0.00 C ATOM 1440 C VAL A 97 -4.765 -7.170 -8.181 1.00 0.00 C ATOM 1441 O VAL A 97 -5.338 -8.163 -8.630 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.889 -8.427 -7.071 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.559 -9.784 -6.869 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.191 -8.367 -8.428 1.00 0.00 C ATOM 0 H VAL A 97 -5.196 -8.407 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.356 -6.341 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.134 -8.306 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.819 -10.576 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.990 -9.832 -5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.347 -9.915 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.482 -9.191 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.933 -8.447 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.660 -7.420 -8.522 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.864 -5.968 -8.746 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.669 -5.756 -9.949 1.00 0.00 C ATOM 1456 C GLU A 98 -4.894 -4.983 -11.021 1.00 0.00 C ATOM 1457 O GLU A 98 -3.785 -4.515 -10.775 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.958 -5.019 -9.586 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.738 -5.679 -8.457 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.597 -4.697 -7.683 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -8.059 -4.019 -6.783 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.807 -4.603 -7.977 1.00 0.00 O ATOM 0 H GLU A 98 -4.400 -5.131 -8.393 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.916 -6.732 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.714 -3.996 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.594 -4.959 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.373 -6.463 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.040 -6.162 -7.773 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.481 -4.866 -12.220 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.829 -4.168 -13.333 1.00 0.00 C ATOM 1471 C GLU A 99 -5.233 -2.705 -13.424 1.00 0.00 C ATOM 1472 O GLU A 99 -6.142 -2.348 -14.170 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.141 -4.852 -14.665 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.308 -4.330 -15.826 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.152 -3.658 -16.894 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.758 -4.379 -17.714 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -5.205 -2.409 -16.911 1.00 0.00 O ATOM 0 H GLU A 99 -6.402 -5.244 -12.442 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.759 -4.214 -13.132 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.974 -5.924 -14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.197 -4.715 -14.896 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.572 -3.620 -15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.755 -5.156 -16.272 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.528 -1.866 -12.686 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.783 -0.434 -12.691 1.00 0.00 C ATOM 1486 C ARG A 100 -4.487 0.173 -14.057 1.00 0.00 C ATOM 1487 O ARG A 100 -3.717 -0.380 -14.843 1.00 0.00 O ATOM 1488 CB ARG A 100 -3.915 0.237 -11.637 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.434 0.188 -11.974 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.855 1.577 -12.163 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.836 1.595 -13.210 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.504 2.678 -13.910 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.092 3.841 -13.665 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.422 2.595 -14.855 1.00 0.00 N ATOM 0 H ARG A 100 -3.768 -2.154 -12.070 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.837 -0.271 -12.467 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.224 1.277 -11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.080 -0.248 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.896 -0.325 -11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.287 -0.394 -12.884 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.654 2.273 -12.419 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.420 1.922 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.348 0.723 -13.418 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.803 3.910 -12.937 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.833 4.667 -14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.879 1.703 -15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.678 3.423 -15.392 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.095 1.321 -14.327 1.00 0.00 N ATOM 1509 CA GLU A 101 -4.899 2.017 -15.591 1.00 0.00 C ATOM 1510 C GLU A 101 -5.464 3.430 -15.511 1.00 0.00 C ATOM 1511 O GLU A 101 -6.499 3.731 -16.105 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.572 1.243 -16.726 1.00 0.00 C ATOM 1513 CG GLU A 101 -5.357 1.854 -18.101 1.00 0.00 C ATOM 1514 CD GLU A 101 -5.663 0.876 -19.222 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -6.856 0.683 -19.533 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -4.707 0.303 -19.785 1.00 0.00 O ATOM 0 H GLU A 101 -5.731 1.791 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.830 2.081 -15.793 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.193 0.221 -16.730 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.642 1.185 -16.528 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.990 2.735 -18.208 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.324 2.192 -18.188 1.00 0.00 H new ATOM 1523 N LEU A 102 -4.788 4.294 -14.761 1.00 0.00 N ATOM 1524 CA LEU A 102 -5.237 5.668 -14.596 1.00 0.00 C ATOM 1525 C LEU A 102 -4.891 6.515 -15.821 1.00 0.00 C ATOM 1526 O LEU A 102 -5.762 7.179 -16.385 1.00 0.00 O ATOM 1527 CB LEU A 102 -4.625 6.278 -13.333 1.00 0.00 C ATOM 1528 CG LEU A 102 -5.327 5.926 -12.017 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -5.606 4.430 -11.920 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -4.478 6.377 -10.843 1.00 0.00 C ATOM 0 H LEU A 102 -3.929 4.066 -14.260 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.322 5.659 -14.492 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.585 5.959 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.619 7.363 -13.442 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.284 6.447 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.104 4.213 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.247 4.125 -12.747 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.666 3.881 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.983 6.124 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.511 5.876 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.330 7.456 -10.894 1.00 0.00 H new ATOM 1542 N PRO A 103 -3.615 6.507 -16.257 1.00 0.00 N ATOM 1543 CA PRO A 103 -3.179 7.285 -17.424 1.00 0.00 C ATOM 1544 C PRO A 103 -3.850 6.817 -18.711 1.00 0.00 C ATOM 1545 O PRO A 103 -3.648 5.687 -19.152 1.00 0.00 O ATOM 1546 CB PRO A 103 -1.667 7.033 -17.493 1.00 0.00 C ATOM 1547 CG PRO A 103 -1.296 6.497 -16.152 1.00 0.00 C ATOM 1548 CD PRO A 103 -2.503 5.752 -15.661 1.00 0.00 C ATOM 0 HA PRO A 103 -3.441 8.338 -17.325 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.422 6.322 -18.282 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -1.125 7.953 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.431 5.838 -16.220 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.029 7.303 -15.469 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.498 4.712 -15.989 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -2.558 5.743 -14.572 1.00 0.00 H new ATOM 1556 N GLU A 104 -4.647 7.695 -19.311 1.00 0.00 N ATOM 1557 CA GLU A 104 -5.345 7.370 -20.549 1.00 0.00 C ATOM 1558 C GLU A 104 -4.448 7.611 -21.759 1.00 0.00 C ATOM 1559 O GLU A 104 -3.951 8.718 -21.966 1.00 0.00 O ATOM 1560 CB GLU A 104 -6.622 8.202 -20.673 1.00 0.00 C ATOM 1561 CG GLU A 104 -7.797 7.629 -19.896 1.00 0.00 C ATOM 1562 CD GLU A 104 -8.563 6.587 -20.684 1.00 0.00 C ATOM 1563 OE1 GLU A 104 -9.191 6.953 -21.700 1.00 0.00 O ATOM 1564 OE2 GLU A 104 -8.537 5.403 -20.287 1.00 0.00 O ATOM 0 H GLU A 104 -4.825 8.636 -18.960 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.610 6.313 -20.520 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.422 9.214 -20.321 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.895 8.279 -21.725 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.433 7.184 -18.970 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.473 8.438 -19.617 1.00 0.00 H new ATOM 1571 N LEU A 105 -4.244 6.566 -22.555 1.00 0.00 N ATOM 1572 CA LEU A 105 -3.405 6.663 -23.746 1.00 0.00 C ATOM 1573 C LEU A 105 -4.258 6.668 -25.012 1.00 0.00 C ATOM 1574 O LEU A 105 -4.687 5.618 -25.487 1.00 0.00 O ATOM 1575 CB LEU A 105 -2.409 5.501 -23.789 1.00 0.00 C ATOM 1576 CG LEU A 105 -0.969 5.869 -23.427 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -0.429 6.913 -24.394 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -0.890 6.372 -21.992 1.00 0.00 C ATOM 0 H LEU A 105 -4.648 5.643 -22.398 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.853 7.602 -23.698 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.752 4.723 -23.107 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.417 5.072 -24.791 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.352 4.974 -23.508 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.596 7.164 -24.123 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.449 6.514 -25.408 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.047 7.809 -24.344 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.142 6.629 -21.753 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.519 7.255 -21.881 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.236 5.592 -21.314 1.00 0.00 H new ATOM 1590 N THR A 106 -4.498 7.860 -25.551 1.00 0.00 N ATOM 1591 CA THR A 106 -5.300 8.004 -26.762 1.00 0.00 C ATOM 1592 C THR A 106 -4.445 8.497 -27.924 1.00 0.00 C ATOM 1593 O THR A 106 -3.834 9.577 -27.791 1.00 0.00 O ATOM 1594 CB THR A 106 -6.460 8.971 -26.519 1.00 0.00 C ATOM 1595 OG1 THR A 106 -5.976 10.267 -26.217 1.00 0.00 O ATOM 1596 CG2 THR A 106 -7.368 8.546 -25.386 1.00 0.00 C ATOM 1597 OXT THR A 106 -4.393 7.798 -28.958 1.00 0.00 O ATOM 0 H THR A 106 -4.149 8.739 -25.169 1.00 0.00 H new ATOM 0 HA THR A 106 -5.702 7.025 -27.021 1.00 0.00 H new ATOM 0 HB THR A 106 -7.036 8.969 -27.444 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.137 10.423 -26.699 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.169 9.276 -25.268 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.797 7.570 -25.610 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.793 8.486 -24.462 1.00 0.00 H new TER 1605 THR A 106