USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HE2:sc= -5.69! C(o=-11!,f=-18!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -4.93! C(o=-11!,f=-25!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.817 K(o=-0.82,f=0.35) USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 120:sc= 0.532 USER MOD Single : A 13 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.059) USER MOD Single : A 17 ASN : amide:sc= -0.0629 X(o=-0.063,f=0.43) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0.115) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0065 USER MOD Single : A 21 ASN : amide:sc= -0.556 K(o=-0.56,f=-2.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.91 K(o=-1.9,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -136:sc= 1.42 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 67:sc= 0.369 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= -0.0736 (180deg=-0.392) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.955 -5.962 6.264 1.00 0.00 N ATOM 18 CA ILE A 7 3.252 -4.787 5.779 1.00 0.00 C ATOM 19 C ILE A 7 2.049 -4.540 6.671 1.00 0.00 C ATOM 20 O ILE A 7 1.335 -5.479 7.025 1.00 0.00 O ATOM 21 CB ILE A 7 2.726 -4.948 4.326 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.658 -5.794 3.460 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.518 -3.586 3.669 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.968 -6.368 2.232 1.00 0.00 C ATOM 0 HA ILE A 7 3.964 -3.962 5.794 1.00 0.00 H new ATOM 0 HB ILE A 7 1.771 -5.468 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.504 -5.184 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.060 -6.611 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.150 -3.725 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.791 -3.012 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.465 -3.047 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.681 -6.959 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.139 -7.003 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.589 -5.554 1.614 1.00 0.00 H new ATOM 36 N GLN A 8 1.834 -3.297 7.047 1.00 0.00 N ATOM 37 CA GLN A 8 0.672 -2.950 7.840 1.00 0.00 C ATOM 38 C GLN A 8 -0.101 -1.836 7.154 1.00 0.00 C ATOM 39 O GLN A 8 0.360 -0.699 7.092 1.00 0.00 O ATOM 40 CB GLN A 8 1.097 -2.530 9.250 1.00 0.00 C ATOM 41 CG GLN A 8 1.822 -3.631 10.024 1.00 0.00 C ATOM 42 CD GLN A 8 2.331 -3.159 11.375 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.364 -3.623 11.856 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.606 -2.245 12.003 1.00 0.00 N ATOM 0 H GLN A 8 2.445 -2.513 6.818 1.00 0.00 H new ATOM 0 HA GLN A 8 0.024 -3.822 7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.747 -1.658 9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.214 -2.224 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.146 -4.473 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.661 -3.994 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.755 -1.884 11.572 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.899 -1.902 12.918 1.00 0.00 H new ATOM 53 N VAL A 9 -1.262 -2.170 6.609 1.00 0.00 N ATOM 54 CA VAL A 9 -2.084 -1.179 5.932 1.00 0.00 C ATOM 55 C VAL A 9 -3.079 -0.541 6.886 1.00 0.00 C ATOM 56 O VAL A 9 -3.613 -1.190 7.785 1.00 0.00 O ATOM 57 CB VAL A 9 -2.857 -1.766 4.727 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.928 -1.967 3.546 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.527 -3.073 5.108 1.00 0.00 C ATOM 0 H VAL A 9 -1.653 -3.112 6.622 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.390 -0.425 5.561 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.632 -1.056 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.489 -2.380 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.496 -1.009 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.130 -2.656 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.066 -3.470 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.771 -3.791 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.227 -2.898 5.925 1.00 0.00 H new ATOM 69 N TYR A 10 -3.327 0.730 6.639 1.00 0.00 N ATOM 70 CA TYR A 10 -4.202 1.560 7.455 1.00 0.00 C ATOM 71 C TYR A 10 -4.846 2.588 6.542 1.00 0.00 C ATOM 72 O TYR A 10 -4.639 2.559 5.327 1.00 0.00 O ATOM 73 CB TYR A 10 -3.425 2.309 8.557 1.00 0.00 C ATOM 74 CG TYR A 10 -2.832 1.438 9.662 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.532 1.655 10.117 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.560 0.405 10.249 1.00 0.00 C ATOM 77 CE1 TYR A 10 -0.979 0.871 11.114 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.010 -0.383 11.249 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.721 -0.145 11.673 1.00 0.00 C ATOM 80 OH TYR A 10 -1.171 -0.933 12.658 1.00 0.00 O ATOM 0 H TYR A 10 -2.918 1.229 5.849 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.938 0.919 7.939 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.616 2.869 8.088 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.093 3.038 9.015 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.945 2.451 9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.571 0.215 9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.030 1.055 11.452 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.589 -1.179 11.693 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.827 -1.602 12.946 1.00 0.00 H new ATOM 90 N SER A 11 -5.622 3.484 7.109 1.00 0.00 N ATOM 91 CA SER A 11 -6.139 4.605 6.348 1.00 0.00 C ATOM 92 C SER A 11 -5.913 5.913 7.093 1.00 0.00 C ATOM 93 O SER A 11 -5.767 5.931 8.316 1.00 0.00 O ATOM 94 CB SER A 11 -7.626 4.420 6.065 1.00 0.00 C ATOM 95 OG SER A 11 -7.859 3.233 5.330 1.00 0.00 O ATOM 0 H SER A 11 -5.909 3.462 8.088 1.00 0.00 H new ATOM 0 HA SER A 11 -5.601 4.645 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.177 4.384 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.003 5.277 5.507 1.00 0.00 H new ATOM 0 HG SER A 11 -8.446 2.640 5.844 1.00 0.00 H new ATOM 101 N ARG A 12 -5.882 7.006 6.336 1.00 0.00 N ATOM 102 CA ARG A 12 -5.670 8.339 6.902 1.00 0.00 C ATOM 103 C ARG A 12 -6.955 8.844 7.556 1.00 0.00 C ATOM 104 O ARG A 12 -6.922 9.638 8.492 1.00 0.00 O ATOM 105 CB ARG A 12 -5.225 9.319 5.801 1.00 0.00 C ATOM 106 CG ARG A 12 -4.233 10.380 6.261 1.00 0.00 C ATOM 107 CD ARG A 12 -4.861 11.376 7.221 1.00 0.00 C ATOM 108 NE ARG A 12 -4.025 12.559 7.395 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.219 13.485 8.329 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.208 13.359 9.209 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.415 14.540 8.384 1.00 0.00 N ATOM 0 H ARG A 12 -6.002 6.996 5.323 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.888 8.276 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.777 8.751 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.107 9.816 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.385 9.896 6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.843 10.911 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.840 11.674 6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.021 10.898 8.188 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.239 12.684 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.825 12.547 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.350 14.074 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.654 14.637 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.559 15.254 9.098 1.00 0.00 H new ATOM 125 N HIS A 13 -8.083 8.343 7.076 1.00 0.00 N ATOM 126 CA HIS A 13 -9.391 8.832 7.497 1.00 0.00 C ATOM 127 C HIS A 13 -10.310 7.646 7.770 1.00 0.00 C ATOM 128 O HIS A 13 -10.026 6.533 7.322 1.00 0.00 O ATOM 129 CB HIS A 13 -9.996 9.740 6.413 1.00 0.00 C ATOM 130 CG HIS A 13 -9.213 10.997 6.159 1.00 0.00 C ATOM 131 ND1 HIS A 13 -8.911 11.871 7.175 1.00 0.00 N ATOM 132 CD2 HIS A 13 -8.680 11.468 5.003 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.208 12.844 6.621 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.042 12.643 5.309 1.00 0.00 N ATOM 0 H HIS A 13 -8.120 7.591 6.388 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.280 9.418 8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.071 9.177 5.483 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.011 10.010 6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.746 11.006 4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.817 13.694 7.160 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.538 13.248 4.660 1.00 0.00 H new ATOM 142 N PRO A 14 -11.406 7.853 8.522 1.00 0.00 N ATOM 143 CA PRO A 14 -12.355 6.775 8.860 1.00 0.00 C ATOM 144 C PRO A 14 -13.071 6.231 7.622 1.00 0.00 C ATOM 145 O PRO A 14 -13.443 6.997 6.726 1.00 0.00 O ATOM 146 CB PRO A 14 -13.365 7.454 9.800 1.00 0.00 C ATOM 147 CG PRO A 14 -12.702 8.725 10.241 1.00 0.00 C ATOM 148 CD PRO A 14 -11.819 9.145 9.100 1.00 0.00 C ATOM 0 HA PRO A 14 -11.850 5.919 9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.305 7.658 9.287 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.599 6.816 10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.441 9.494 10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.119 8.567 11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.355 9.760 8.377 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.964 9.728 9.442 1.00 0.00 H new ATOM 156 N ALA A 15 -13.244 4.912 7.573 1.00 0.00 N ATOM 157 CA ALA A 15 -13.918 4.243 6.456 1.00 0.00 C ATOM 158 C ALA A 15 -15.376 4.689 6.333 1.00 0.00 C ATOM 159 O ALA A 15 -16.228 4.216 7.087 1.00 0.00 O ATOM 160 CB ALA A 15 -13.880 2.730 6.654 1.00 0.00 C ATOM 0 H ALA A 15 -12.923 4.276 8.303 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.390 4.517 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.383 2.241 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.844 2.395 6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.386 2.472 7.584 1.00 0.00 H new ATOM 166 N GLU A 16 -15.678 5.588 5.400 1.00 0.00 N ATOM 167 CA GLU A 16 -17.063 6.002 5.197 1.00 0.00 C ATOM 168 C GLU A 16 -17.505 5.615 3.780 1.00 0.00 C ATOM 169 O GLU A 16 -17.127 6.279 2.812 1.00 0.00 O ATOM 170 CB GLU A 16 -17.202 7.525 5.427 1.00 0.00 C ATOM 171 CG GLU A 16 -18.527 7.981 6.024 1.00 0.00 C ATOM 172 CD GLU A 16 -19.704 7.760 5.100 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.089 8.717 4.396 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.251 6.644 5.076 1.00 0.00 O ATOM 0 H GLU A 16 -14.999 6.036 4.785 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.708 5.495 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.396 7.850 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.059 8.033 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.701 7.446 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.461 9.041 6.271 1.00 0.00 H new ATOM 181 N ASN A 17 -18.255 4.508 3.665 1.00 0.00 N ATOM 182 CA ASN A 17 -18.792 4.038 2.385 1.00 0.00 C ATOM 183 C ASN A 17 -19.332 5.192 1.525 1.00 0.00 C ATOM 184 O ASN A 17 -20.312 5.850 1.877 1.00 0.00 O ATOM 185 CB ASN A 17 -19.886 2.974 2.642 1.00 0.00 C ATOM 186 CG ASN A 17 -20.742 2.664 1.420 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.272 2.679 0.283 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.017 2.393 1.652 1.00 0.00 N ATOM 0 H ASN A 17 -18.504 3.916 4.458 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.977 3.586 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.412 2.054 2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.533 3.319 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.644 2.188 0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.372 2.390 2.608 1.00 0.00 H new ATOM 195 N GLY A 18 -18.660 5.428 0.400 1.00 0.00 N ATOM 196 CA GLY A 18 -19.062 6.487 -0.518 1.00 0.00 C ATOM 197 C GLY A 18 -18.058 7.623 -0.620 1.00 0.00 C ATOM 198 O GLY A 18 -18.136 8.429 -1.542 1.00 0.00 O ATOM 0 H GLY A 18 -17.838 4.901 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.214 6.058 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.022 6.890 -0.195 1.00 0.00 H new ATOM 202 N LYS A 19 -17.120 7.707 0.318 1.00 0.00 N ATOM 203 CA LYS A 19 -16.138 8.795 0.290 1.00 0.00 C ATOM 204 C LYS A 19 -14.898 8.367 -0.471 1.00 0.00 C ATOM 205 O LYS A 19 -14.597 7.177 -0.562 1.00 0.00 O ATOM 206 CB LYS A 19 -15.664 9.202 1.691 1.00 0.00 C ATOM 207 CG LYS A 19 -16.727 9.399 2.766 1.00 0.00 C ATOM 208 CD LYS A 19 -17.632 10.603 2.551 1.00 0.00 C ATOM 209 CE LYS A 19 -18.622 10.415 1.416 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.643 9.380 1.740 1.00 0.00 N ATOM 0 H LYS A 19 -17.016 7.052 1.093 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.643 9.635 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.966 8.442 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.103 10.132 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.344 8.502 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.233 9.501 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.179 10.806 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.017 11.479 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.118 11.362 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.087 10.128 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.512 9.568 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.276 8.440 1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.855 9.408 2.758 1.00 0.00 H new ATOM 224 N SER A 20 -14.186 9.335 -1.019 1.00 0.00 N ATOM 225 CA SER A 20 -12.845 9.086 -1.503 1.00 0.00 C ATOM 226 C SER A 20 -11.815 9.572 -0.487 1.00 0.00 C ATOM 227 O SER A 20 -11.956 10.644 0.111 1.00 0.00 O ATOM 228 CB SER A 20 -12.612 9.706 -2.885 1.00 0.00 C ATOM 229 OG SER A 20 -13.312 10.931 -3.044 1.00 0.00 O ATOM 0 H SER A 20 -14.513 10.294 -1.139 1.00 0.00 H new ATOM 0 HA SER A 20 -12.725 8.009 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.545 9.877 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.931 9.004 -3.656 1.00 0.00 H new ATOM 0 HG SER A 20 -13.136 11.295 -3.937 1.00 0.00 H new ATOM 235 N ASN A 21 -10.787 8.766 -0.307 1.00 0.00 N ATOM 236 CA ASN A 21 -9.742 8.998 0.685 1.00 0.00 C ATOM 237 C ASN A 21 -8.497 8.290 0.163 1.00 0.00 C ATOM 238 O ASN A 21 -8.478 7.866 -0.996 1.00 0.00 O ATOM 239 CB ASN A 21 -10.120 8.429 2.069 1.00 0.00 C ATOM 240 CG ASN A 21 -11.545 8.729 2.532 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.493 8.044 2.150 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.705 9.717 3.397 1.00 0.00 N ATOM 0 H ASN A 21 -10.647 7.916 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.586 10.068 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.982 7.348 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.424 8.825 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.633 9.927 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.901 10.268 3.696 1.00 0.00 H new ATOM 249 N PHE A 22 -7.477 8.123 0.993 1.00 0.00 N ATOM 250 CA PHE A 22 -6.232 7.502 0.537 1.00 0.00 C ATOM 251 C PHE A 22 -5.936 6.206 1.285 1.00 0.00 C ATOM 252 O PHE A 22 -6.076 6.146 2.511 1.00 0.00 O ATOM 253 CB PHE A 22 -5.059 8.471 0.704 1.00 0.00 C ATOM 254 CG PHE A 22 -5.009 9.539 -0.353 1.00 0.00 C ATOM 255 CD1 PHE A 22 -4.609 10.832 -0.048 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.360 9.243 -1.660 1.00 0.00 C ATOM 257 CE1 PHE A 22 -4.561 11.806 -1.029 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.314 10.211 -2.644 1.00 0.00 C ATOM 259 CZ PHE A 22 -4.913 11.494 -2.327 1.00 0.00 C ATOM 0 H PHE A 22 -7.481 8.403 1.974 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.360 7.261 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.125 8.944 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.126 7.907 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.332 11.081 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.674 8.241 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.249 12.809 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.591 9.965 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.875 12.253 -3.094 1.00 0.00 H new ATOM 269 N LEU A 23 -5.531 5.170 0.545 1.00 0.00 N ATOM 270 CA LEU A 23 -5.120 3.907 1.162 1.00 0.00 C ATOM 271 C LEU A 23 -3.639 3.976 1.500 1.00 0.00 C ATOM 272 O LEU A 23 -2.794 4.150 0.621 1.00 0.00 O ATOM 273 CB LEU A 23 -5.417 2.698 0.252 1.00 0.00 C ATOM 274 CG LEU A 23 -4.759 1.353 0.656 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.086 0.957 2.091 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.204 0.250 -0.291 1.00 0.00 C ATOM 0 H LEU A 23 -5.479 5.181 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.699 3.764 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.497 2.553 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.096 2.945 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.680 1.490 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.602 0.009 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.725 1.727 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.165 0.851 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.737 -0.691 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.288 0.146 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.907 0.502 -1.309 1.00 0.00 H new ATOM 288 N ASN A 24 -3.341 3.840 2.775 1.00 0.00 N ATOM 289 CA ASN A 24 -1.983 4.017 3.272 1.00 0.00 C ATOM 290 C ASN A 24 -1.346 2.668 3.597 1.00 0.00 C ATOM 291 O ASN A 24 -1.750 1.987 4.541 1.00 0.00 O ATOM 292 CB ASN A 24 -1.974 4.934 4.514 1.00 0.00 C ATOM 293 CG ASN A 24 -2.174 6.401 4.185 1.00 0.00 C ATOM 294 OD1 ASN A 24 -2.827 6.757 3.206 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.617 7.269 5.020 1.00 0.00 N ATOM 0 H ASN A 24 -4.024 3.605 3.495 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.393 4.493 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.759 4.613 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.026 4.813 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.724 8.271 4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.082 6.934 5.822 1.00 0.00 H new ATOM 302 N CYS A 25 -0.362 2.275 2.796 1.00 0.00 N ATOM 303 CA CYS A 25 0.368 1.029 3.007 1.00 0.00 C ATOM 304 C CYS A 25 1.792 1.340 3.474 1.00 0.00 C ATOM 305 O CYS A 25 2.552 1.983 2.749 1.00 0.00 O ATOM 306 CB CYS A 25 0.416 0.231 1.693 1.00 0.00 C ATOM 307 SG CYS A 25 1.679 -1.079 1.660 1.00 0.00 S ATOM 0 H CYS A 25 -0.048 2.808 1.985 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.139 0.438 3.769 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.562 -0.218 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.602 0.920 0.869 1.00 0.00 H new ATOM 312 N TYR A 26 2.146 0.916 4.683 1.00 0.00 N ATOM 313 CA TYR A 26 3.487 1.168 5.203 1.00 0.00 C ATOM 314 C TYR A 26 4.406 0.000 4.903 1.00 0.00 C ATOM 315 O TYR A 26 4.072 -1.156 5.167 1.00 0.00 O ATOM 316 CB TYR A 26 3.465 1.417 6.716 1.00 0.00 C ATOM 317 CG TYR A 26 2.508 2.505 7.139 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.212 2.197 7.521 1.00 0.00 C ATOM 319 CD2 TYR A 26 2.893 3.838 7.133 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.319 3.191 7.882 1.00 0.00 C ATOM 321 CE2 TYR A 26 2.008 4.835 7.499 1.00 0.00 C ATOM 322 CZ TYR A 26 0.724 4.509 7.869 1.00 0.00 C ATOM 323 OH TYR A 26 -0.158 5.505 8.215 1.00 0.00 O ATOM 0 H TYR A 26 1.532 0.402 5.315 1.00 0.00 H new ATOM 0 HA TYR A 26 3.862 2.063 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.195 0.491 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.470 1.681 7.046 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.894 1.165 7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.898 4.100 6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.689 2.936 8.172 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.324 5.868 7.494 1.00 0.00 H new ATOM 0 HH TYR A 26 0.290 6.374 8.153 1.00 0.00 H new ATOM 333 N VAL A 27 5.570 0.318 4.367 1.00 0.00 N ATOM 334 CA VAL A 27 6.579 -0.674 4.049 1.00 0.00 C ATOM 335 C VAL A 27 7.914 -0.185 4.626 1.00 0.00 C ATOM 336 O VAL A 27 8.515 0.747 4.098 1.00 0.00 O ATOM 337 CB VAL A 27 6.708 -0.856 2.512 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.735 -1.922 2.174 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.364 -1.211 1.884 1.00 0.00 C ATOM 0 H VAL A 27 5.842 1.274 4.140 1.00 0.00 H new ATOM 0 HA VAL A 27 6.299 -1.636 4.478 1.00 0.00 H new ATOM 0 HB VAL A 27 7.043 0.095 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.805 -2.029 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.706 -1.631 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.431 -2.872 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.486 -1.332 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.996 -2.142 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.648 -0.413 2.080 1.00 0.00 H new ATOM 349 N SER A 28 8.371 -0.784 5.717 1.00 0.00 N ATOM 350 CA SER A 28 9.530 -0.253 6.433 1.00 0.00 C ATOM 351 C SER A 28 10.681 -1.264 6.497 1.00 0.00 C ATOM 352 O SER A 28 10.461 -2.458 6.690 1.00 0.00 O ATOM 353 CB SER A 28 9.107 0.159 7.848 1.00 0.00 C ATOM 354 OG SER A 28 10.163 0.807 8.544 1.00 0.00 O ATOM 0 H SER A 28 7.966 -1.627 6.124 1.00 0.00 H new ATOM 0 HA SER A 28 9.896 0.616 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.246 0.825 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.791 -0.723 8.405 1.00 0.00 H new ATOM 0 HG SER A 28 9.858 1.057 9.441 1.00 0.00 H new ATOM 360 N GLY A 29 11.910 -0.766 6.338 1.00 0.00 N ATOM 361 CA GLY A 29 13.093 -1.616 6.433 1.00 0.00 C ATOM 362 C GLY A 29 13.660 -1.973 5.071 1.00 0.00 C ATOM 363 O GLY A 29 14.654 -2.691 4.966 1.00 0.00 O ATOM 0 H GLY A 29 12.108 0.216 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.857 -1.106 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.838 -2.531 6.968 1.00 0.00 H new ATOM 367 N PHE A 30 13.022 -1.465 4.031 1.00 0.00 N ATOM 368 CA PHE A 30 13.395 -1.793 2.663 1.00 0.00 C ATOM 369 C PHE A 30 13.830 -0.552 1.886 1.00 0.00 C ATOM 370 O PHE A 30 13.204 0.499 1.988 1.00 0.00 O ATOM 371 CB PHE A 30 12.199 -2.422 1.965 1.00 0.00 C ATOM 372 CG PHE A 30 11.605 -3.610 2.696 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.050 -4.900 2.432 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.596 -3.437 3.639 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.494 -5.991 3.085 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.044 -4.525 4.300 1.00 0.00 C ATOM 377 CZ PHE A 30 10.493 -5.799 4.017 1.00 0.00 C ATOM 0 H PHE A 30 12.237 -0.819 4.108 1.00 0.00 H new ATOM 0 HA PHE A 30 14.236 -2.486 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.426 -1.664 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.501 -2.738 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.838 -5.055 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.238 -2.442 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.844 -6.989 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.266 -4.375 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.061 -6.648 4.526 1.00 0.00 H new ATOM 387 N HIS A 31 14.888 -0.685 1.089 1.00 0.00 N ATOM 388 CA HIS A 31 15.384 0.438 0.273 1.00 0.00 C ATOM 389 C HIS A 31 14.403 0.800 -0.825 1.00 0.00 C ATOM 390 O HIS A 31 14.128 -0.010 -1.702 1.00 0.00 O ATOM 391 CB HIS A 31 16.746 0.145 -0.379 1.00 0.00 C ATOM 392 CG HIS A 31 17.172 -1.296 -0.334 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.877 -1.782 0.736 1.00 0.00 N ATOM 394 CD2 HIS A 31 17.005 -2.293 -1.239 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.127 -3.048 0.462 1.00 0.00 C ATOM 396 NE2 HIS A 31 17.622 -3.407 -0.727 1.00 0.00 N ATOM 0 H HIS A 31 15.420 -1.549 0.986 1.00 0.00 H new ATOM 0 HA HIS A 31 15.498 1.271 0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.711 0.466 -1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.507 0.749 0.115 1.00 0.00 H new ATOM 0 HD1 HIS A 31 18.152 -1.269 1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.485 -2.223 -2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.672 -3.714 1.115 1.00 0.00 H new ATOM 404 N PRO A 32 13.912 2.052 -0.804 1.00 0.00 N ATOM 405 CA PRO A 32 12.928 2.569 -1.774 1.00 0.00 C ATOM 406 C PRO A 32 13.267 2.264 -3.238 1.00 0.00 C ATOM 407 O PRO A 32 12.387 2.276 -4.093 1.00 0.00 O ATOM 408 CB PRO A 32 12.961 4.080 -1.515 1.00 0.00 C ATOM 409 CG PRO A 32 13.291 4.188 -0.066 1.00 0.00 C ATOM 410 CD PRO A 32 14.271 3.076 0.203 1.00 0.00 C ATOM 0 HA PRO A 32 11.953 2.102 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.710 4.575 -2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.002 4.545 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.726 5.160 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.398 4.082 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.301 3.411 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.175 2.692 1.219 1.00 0.00 H new ATOM 418 N SER A 33 14.533 1.980 -3.522 1.00 0.00 N ATOM 419 CA SER A 33 14.961 1.744 -4.890 1.00 0.00 C ATOM 420 C SER A 33 14.840 0.261 -5.296 1.00 0.00 C ATOM 421 O SER A 33 14.488 -0.028 -6.440 1.00 0.00 O ATOM 422 CB SER A 33 16.395 2.260 -5.098 1.00 0.00 C ATOM 423 OG SER A 33 16.806 2.132 -6.448 1.00 0.00 O ATOM 0 H SER A 33 15.275 1.909 -2.826 1.00 0.00 H new ATOM 0 HA SER A 33 14.289 2.301 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.453 3.306 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.078 1.705 -4.455 1.00 0.00 H new ATOM 0 HG SER A 33 17.721 2.470 -6.545 1.00 0.00 H new ATOM 429 N ASP A 34 15.115 -0.690 -4.390 1.00 0.00 N ATOM 430 CA ASP A 34 15.100 -2.109 -4.802 1.00 0.00 C ATOM 431 C ASP A 34 13.887 -2.875 -4.294 1.00 0.00 C ATOM 432 O ASP A 34 13.962 -4.093 -4.114 1.00 0.00 O ATOM 433 CB ASP A 34 16.361 -2.861 -4.355 1.00 0.00 C ATOM 434 CG ASP A 34 17.622 -2.375 -5.032 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.528 -1.884 -4.326 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.724 -2.503 -6.271 1.00 0.00 O ATOM 0 H ASP A 34 15.341 -0.519 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 34 15.058 -2.069 -5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.474 -2.757 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.233 -3.924 -4.561 1.00 0.00 H new ATOM 441 N ILE A 35 12.766 -2.209 -4.070 1.00 0.00 N ATOM 442 CA ILE A 35 11.588 -2.931 -3.623 1.00 0.00 C ATOM 443 C ILE A 35 10.422 -2.663 -4.543 1.00 0.00 C ATOM 444 O ILE A 35 10.459 -1.740 -5.359 1.00 0.00 O ATOM 445 CB ILE A 35 11.177 -2.590 -2.168 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.164 -1.427 -2.133 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.397 -2.278 -1.315 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.626 -1.139 -0.751 1.00 0.00 C ATOM 0 H ILE A 35 12.647 -1.203 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 35 11.855 -3.987 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 35 10.689 -3.468 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.641 -0.528 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.332 -1.660 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.080 -2.042 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.059 -3.144 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.927 -1.424 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.920 -0.310 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.120 -2.024 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.450 -0.874 -0.088 1.00 0.00 H new ATOM 460 N GLU A 36 9.394 -3.478 -4.420 1.00 0.00 N ATOM 461 CA GLU A 36 8.257 -3.372 -5.263 1.00 0.00 C ATOM 462 C GLU A 36 6.986 -3.535 -4.443 1.00 0.00 C ATOM 463 O GLU A 36 6.780 -4.554 -3.789 1.00 0.00 O ATOM 464 CB GLU A 36 8.383 -4.448 -6.293 1.00 0.00 C ATOM 465 CG GLU A 36 8.300 -3.938 -7.730 1.00 0.00 C ATOM 466 CD GLU A 36 7.008 -3.213 -8.039 1.00 0.00 C ATOM 467 OE1 GLU A 36 6.818 -2.091 -7.530 1.00 0.00 O ATOM 468 OE2 GLU A 36 6.199 -3.750 -8.823 1.00 0.00 O ATOM 0 H GLU A 36 9.339 -4.226 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 36 8.203 -2.395 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.334 -4.962 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.596 -5.185 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.138 -3.267 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.407 -4.781 -8.413 1.00 0.00 H new ATOM 475 N VAL A 37 6.168 -2.512 -4.481 1.00 0.00 N ATOM 476 CA VAL A 37 4.934 -2.454 -3.692 1.00 0.00 C ATOM 477 C VAL A 37 3.783 -1.909 -4.539 1.00 0.00 C ATOM 478 O VAL A 37 3.949 -0.932 -5.275 1.00 0.00 O ATOM 479 CB VAL A 37 5.108 -1.607 -2.380 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.369 -0.755 -2.436 1.00 0.00 C ATOM 481 CG2 VAL A 37 3.896 -0.720 -2.111 1.00 0.00 C ATOM 0 H VAL A 37 6.328 -1.686 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 37 4.696 -3.473 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 37 5.199 -2.318 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.461 -0.181 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.240 -1.401 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.310 -0.073 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.057 -0.152 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.756 -0.032 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.008 -1.342 -2.000 1.00 0.00 H new ATOM 491 N ASP A 38 2.617 -2.545 -4.436 1.00 0.00 N ATOM 492 CA ASP A 38 1.433 -2.096 -5.158 1.00 0.00 C ATOM 493 C ASP A 38 0.229 -2.097 -4.223 1.00 0.00 C ATOM 494 O ASP A 38 0.224 -2.772 -3.193 1.00 0.00 O ATOM 495 CB ASP A 38 1.106 -3.001 -6.369 1.00 0.00 C ATOM 496 CG ASP A 38 2.118 -2.927 -7.491 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.082 -3.716 -7.478 1.00 0.00 O ATOM 498 OD2 ASP A 38 1.923 -2.113 -8.419 1.00 0.00 O ATOM 0 H ASP A 38 2.469 -3.373 -3.859 1.00 0.00 H new ATOM 0 HA ASP A 38 1.645 -1.092 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.034 -4.034 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.126 -2.726 -6.760 1.00 0.00 H new ATOM 503 N LEU A 39 -0.795 -1.359 -4.609 1.00 0.00 N ATOM 504 CA LEU A 39 -2.047 -1.338 -3.865 1.00 0.00 C ATOM 505 C LEU A 39 -3.094 -2.150 -4.636 1.00 0.00 C ATOM 506 O LEU A 39 -3.283 -1.946 -5.838 1.00 0.00 O ATOM 507 CB LEU A 39 -2.513 0.108 -3.597 1.00 0.00 C ATOM 508 CG LEU A 39 -1.960 0.761 -2.306 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.456 0.980 -2.378 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.655 2.083 -2.023 1.00 0.00 C ATOM 0 H LEU A 39 -0.787 -0.763 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.901 -1.796 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.226 0.727 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.602 0.117 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.164 0.067 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.111 1.440 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.045 0.022 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.224 1.635 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.248 2.520 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.492 2.766 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.724 1.912 -1.898 1.00 0.00 H new ATOM 522 N LEU A 40 -3.731 -3.101 -3.951 1.00 0.00 N ATOM 523 CA LEU A 40 -4.594 -4.094 -4.598 1.00 0.00 C ATOM 524 C LEU A 40 -6.026 -4.077 -4.070 1.00 0.00 C ATOM 525 O LEU A 40 -6.334 -3.453 -3.055 1.00 0.00 O ATOM 526 CB LEU A 40 -4.066 -5.518 -4.369 1.00 0.00 C ATOM 527 CG LEU A 40 -2.625 -5.815 -4.783 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.450 -7.318 -4.911 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.250 -5.135 -6.086 1.00 0.00 C ATOM 0 H LEU A 40 -3.665 -3.206 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.587 -3.825 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.164 -5.746 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.718 -6.208 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.962 -5.418 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.425 -7.541 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.663 -7.792 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.136 -7.701 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.217 -5.376 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.909 -5.484 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.354 -4.056 -5.976 1.00 0.00 H new ATOM 541 N LYS A 41 -6.880 -4.811 -4.782 1.00 0.00 N ATOM 542 CA LYS A 41 -8.226 -5.148 -4.341 1.00 0.00 C ATOM 543 C LYS A 41 -8.369 -6.645 -4.442 1.00 0.00 C ATOM 544 O LYS A 41 -8.467 -7.149 -5.552 1.00 0.00 O ATOM 545 CB LYS A 41 -9.293 -4.528 -5.260 1.00 0.00 C ATOM 546 CG LYS A 41 -8.819 -3.256 -5.946 1.00 0.00 C ATOM 547 CD LYS A 41 -9.800 -2.694 -7.032 1.00 0.00 C ATOM 548 CE LYS A 41 -11.302 -2.560 -6.642 1.00 0.00 C ATOM 549 NZ LYS A 41 -12.142 -2.420 -7.860 1.00 0.00 N ATOM 0 H LYS A 41 -6.648 -5.194 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.369 -4.772 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.581 -5.257 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.186 -4.308 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.659 -2.489 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.853 -3.449 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.441 -1.710 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.736 -3.338 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.617 -3.436 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.441 -1.694 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.141 -2.332 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.852 -1.571 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.022 -3.259 -8.463 1.00 0.00 H new ATOM 563 N ASN A 42 -8.401 -7.354 -3.311 1.00 0.00 N ATOM 564 CA ASN A 42 -8.506 -8.822 -3.318 1.00 0.00 C ATOM 565 C ASN A 42 -7.664 -9.450 -4.434 1.00 0.00 C ATOM 566 O ASN A 42 -8.140 -10.289 -5.204 1.00 0.00 O ATOM 567 CB ASN A 42 -9.988 -9.263 -3.406 1.00 0.00 C ATOM 568 CG ASN A 42 -10.816 -8.429 -4.371 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.043 -8.809 -5.518 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.241 -7.259 -3.912 1.00 0.00 N ATOM 0 H ASN A 42 -8.356 -6.940 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.100 -9.188 -2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.030 -10.308 -3.714 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.435 -9.205 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.777 -6.638 -4.518 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.031 -6.981 -2.953 1.00 0.00 H new ATOM 577 N GLY A 43 -6.395 -9.044 -4.492 1.00 0.00 N ATOM 578 CA GLY A 43 -5.497 -9.549 -5.515 1.00 0.00 C ATOM 579 C GLY A 43 -5.708 -8.948 -6.901 1.00 0.00 C ATOM 580 O GLY A 43 -5.394 -9.587 -7.906 1.00 0.00 O ATOM 0 H GLY A 43 -5.975 -8.374 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.470 -9.359 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.615 -10.631 -5.581 1.00 0.00 H new ATOM 584 N GLU A 44 -6.235 -7.735 -6.974 1.00 0.00 N ATOM 585 CA GLU A 44 -6.458 -7.078 -8.261 1.00 0.00 C ATOM 586 C GLU A 44 -5.803 -5.697 -8.238 1.00 0.00 C ATOM 587 O GLU A 44 -6.165 -4.849 -7.422 1.00 0.00 O ATOM 588 CB GLU A 44 -7.961 -6.965 -8.553 1.00 0.00 C ATOM 589 CG GLU A 44 -8.291 -6.472 -9.956 1.00 0.00 C ATOM 590 CD GLU A 44 -7.944 -7.482 -11.030 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.791 -7.477 -11.514 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.824 -8.287 -11.399 1.00 0.00 O ATOM 0 H GLU A 44 -6.517 -7.184 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.009 -7.673 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.422 -7.941 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.410 -6.287 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.354 -6.238 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.750 -5.545 -10.147 1.00 0.00 H new ATOM 599 N ARG A 45 -4.808 -5.505 -9.097 1.00 0.00 N ATOM 600 CA ARG A 45 -4.049 -4.257 -9.146 1.00 0.00 C ATOM 601 C ARG A 45 -4.966 -3.069 -9.488 1.00 0.00 C ATOM 602 O ARG A 45 -5.603 -3.035 -10.543 1.00 0.00 O ATOM 603 CB ARG A 45 -2.891 -4.384 -10.166 1.00 0.00 C ATOM 604 CG ARG A 45 -1.607 -3.677 -9.729 1.00 0.00 C ATOM 605 CD ARG A 45 -0.546 -3.596 -10.834 1.00 0.00 C ATOM 606 NE ARG A 45 -0.778 -2.469 -11.732 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.070 -1.337 -11.707 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.874 -1.150 -10.787 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.318 -0.383 -12.595 1.00 0.00 N ATOM 0 H ARG A 45 -4.505 -6.204 -9.775 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.622 -4.066 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.676 -5.440 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.214 -3.973 -11.122 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.852 -2.668 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.187 -4.202 -8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.442 -3.503 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.548 -4.523 -11.407 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.526 -2.551 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.061 -1.874 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.410 -0.282 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.048 -0.515 -13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.221 0.482 -12.578 1.00 0.00 H new ATOM 623 N ILE A 46 -5.019 -2.111 -8.552 1.00 0.00 N ATOM 624 CA ILE A 46 -5.867 -0.914 -8.653 1.00 0.00 C ATOM 625 C ILE A 46 -5.448 -0.062 -9.830 1.00 0.00 C ATOM 626 O ILE A 46 -6.137 -0.052 -10.847 1.00 0.00 O ATOM 627 CB ILE A 46 -5.776 -0.091 -7.341 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.109 -0.999 -6.147 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.700 1.139 -7.340 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.035 -0.328 -4.795 1.00 0.00 C ATOM 0 H ILE A 46 -4.468 -2.145 -7.694 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.899 -1.230 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.756 0.284 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.114 -1.399 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.425 -1.847 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.592 1.674 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.429 1.798 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.735 0.817 -7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.286 -1.049 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.025 0.047 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.740 0.502 -4.762 1.00 0.00 H new ATOM 642 N GLU A 47 -4.362 0.690 -9.623 1.00 0.00 N ATOM 643 CA GLU A 47 -3.572 1.331 -10.683 1.00 0.00 C ATOM 644 C GLU A 47 -3.287 2.792 -10.362 1.00 0.00 C ATOM 645 O GLU A 47 -2.225 3.300 -10.713 1.00 0.00 O ATOM 646 CB GLU A 47 -4.219 1.286 -12.086 1.00 0.00 C ATOM 647 CG GLU A 47 -3.346 0.682 -13.155 1.00 0.00 C ATOM 648 CD GLU A 47 -4.106 0.424 -14.435 1.00 0.00 C ATOM 649 OE1 GLU A 47 -4.545 -0.725 -14.648 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.269 1.371 -15.233 1.00 0.00 O ATOM 0 H GLU A 47 -3.997 0.875 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.655 0.742 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.147 0.717 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.486 2.300 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.510 1.351 -13.360 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.923 -0.254 -12.790 1.00 0.00 H new ATOM 657 N LYS A 48 -4.223 3.472 -9.695 1.00 0.00 N ATOM 658 CA LYS A 48 -4.111 4.916 -9.470 1.00 0.00 C ATOM 659 C LYS A 48 -3.137 5.201 -8.332 1.00 0.00 C ATOM 660 O LYS A 48 -3.457 5.954 -7.412 1.00 0.00 O ATOM 661 CB LYS A 48 -5.482 5.514 -9.100 1.00 0.00 C ATOM 662 CG LYS A 48 -6.652 5.111 -10.010 1.00 0.00 C ATOM 663 CD LYS A 48 -6.333 5.327 -11.473 1.00 0.00 C ATOM 664 CE LYS A 48 -7.595 5.358 -12.326 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.283 5.596 -13.759 1.00 0.00 N ATOM 0 H LYS A 48 -5.064 3.048 -9.303 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.749 5.370 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.722 5.220 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.398 6.601 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.896 4.062 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.536 5.690 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.790 6.264 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.676 4.531 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.128 4.413 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.260 6.141 -11.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.166 5.611 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.796 6.509 -13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.668 4.835 -14.112 1.00 0.00 H new ATOM 679 N VAL A 49 -1.953 4.623 -8.397 1.00 0.00 N ATOM 680 CA VAL A 49 -1.010 4.720 -7.305 1.00 0.00 C ATOM 681 C VAL A 49 0.288 5.315 -7.831 1.00 0.00 C ATOM 682 O VAL A 49 0.789 4.913 -8.884 1.00 0.00 O ATOM 683 CB VAL A 49 -0.768 3.339 -6.626 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.574 2.738 -6.997 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.887 3.454 -5.121 1.00 0.00 C ATOM 0 H VAL A 49 -1.623 4.081 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.423 5.372 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.541 2.667 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.693 1.777 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.622 2.594 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.373 3.410 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.714 2.478 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.146 4.163 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.886 3.804 -4.861 1.00 0.00 H new ATOM 695 N GLU A 50 0.798 6.309 -7.131 1.00 0.00 N ATOM 696 CA GLU A 50 2.018 6.978 -7.572 1.00 0.00 C ATOM 697 C GLU A 50 2.870 7.428 -6.391 1.00 0.00 C ATOM 698 O GLU A 50 2.460 8.285 -5.610 1.00 0.00 O ATOM 699 CB GLU A 50 1.691 8.205 -8.450 1.00 0.00 C ATOM 700 CG GLU A 50 0.896 7.918 -9.731 1.00 0.00 C ATOM 701 CD GLU A 50 0.548 9.186 -10.475 1.00 0.00 C ATOM 702 OE1 GLU A 50 -0.072 10.084 -9.871 1.00 0.00 O ATOM 703 OE2 GLU A 50 0.904 9.297 -11.666 1.00 0.00 O ATOM 0 H GLU A 50 0.398 6.672 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 50 2.581 6.251 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.128 8.919 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.627 8.690 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.478 7.264 -10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.019 7.383 -9.478 1.00 0.00 H new ATOM 921 N LEU A 64 8.166 4.688 4.183 1.00 0.00 N ATOM 922 CA LEU A 64 7.742 4.438 2.804 1.00 0.00 C ATOM 923 C LEU A 64 6.227 4.329 2.752 1.00 0.00 C ATOM 924 O LEU A 64 5.631 3.538 3.488 1.00 0.00 O ATOM 925 CB LEU A 64 8.341 3.115 2.294 1.00 0.00 C ATOM 926 CG LEU A 64 9.633 3.192 1.470 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.289 1.819 1.399 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.333 3.695 0.065 1.00 0.00 C ATOM 0 HA LEU A 64 8.087 5.262 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.530 2.477 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.585 2.615 1.688 1.00 0.00 H new ATOM 0 HG LEU A 64 10.316 3.889 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.205 1.883 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.526 1.477 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.605 1.113 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.258 3.745 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.638 3.013 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.887 4.688 0.122 1.00 0.00 H new ATOM 940 N LEU A 65 5.609 5.132 1.899 1.00 0.00 N ATOM 941 CA LEU A 65 4.171 5.110 1.727 1.00 0.00 C ATOM 942 C LEU A 65 3.796 5.471 0.288 1.00 0.00 C ATOM 943 O LEU A 65 4.423 6.328 -0.329 1.00 0.00 O ATOM 944 CB LEU A 65 3.537 6.107 2.699 1.00 0.00 C ATOM 945 CG LEU A 65 2.036 6.347 2.531 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.254 5.083 2.828 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.576 7.484 3.428 1.00 0.00 C ATOM 0 H LEU A 65 6.090 5.812 1.311 1.00 0.00 H new ATOM 0 HA LEU A 65 3.800 4.106 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.717 5.757 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.051 7.062 2.595 1.00 0.00 H new ATOM 0 HG LEU A 65 1.848 6.628 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.189 5.276 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.563 4.294 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.447 4.768 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.506 7.641 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.780 7.232 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.112 8.396 3.164 1.00 0.00 H new ATOM 959 N TYR A 66 2.764 4.817 -0.221 1.00 0.00 N ATOM 960 CA TYR A 66 2.246 5.060 -1.564 1.00 0.00 C ATOM 961 C TYR A 66 0.782 5.457 -1.422 1.00 0.00 C ATOM 962 O TYR A 66 0.178 5.171 -0.390 1.00 0.00 O ATOM 963 CB TYR A 66 2.381 3.788 -2.426 1.00 0.00 C ATOM 964 CG TYR A 66 3.816 3.476 -2.832 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.806 3.248 -1.881 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.181 3.422 -4.171 1.00 0.00 C ATOM 967 CE1 TYR A 66 6.109 2.979 -2.257 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.482 3.150 -4.553 1.00 0.00 C ATOM 969 CZ TYR A 66 6.440 2.931 -3.592 1.00 0.00 C ATOM 970 OH TYR A 66 7.734 2.660 -3.965 1.00 0.00 O ATOM 0 H TYR A 66 2.255 4.095 0.289 1.00 0.00 H new ATOM 0 HA TYR A 66 2.809 5.853 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.976 2.940 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.775 3.902 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.552 3.282 -0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.433 3.596 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.865 2.807 -1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.744 3.110 -5.600 1.00 0.00 H new ATOM 0 HH TYR A 66 7.800 2.662 -4.943 1.00 0.00 H new ATOM 980 N TYR A 67 0.194 6.095 -2.426 1.00 0.00 N ATOM 981 CA TYR A 67 -1.173 6.578 -2.269 1.00 0.00 C ATOM 982 C TYR A 67 -2.023 6.350 -3.519 1.00 0.00 C ATOM 983 O TYR A 67 -1.566 6.565 -4.643 1.00 0.00 O ATOM 984 CB TYR A 67 -1.216 8.057 -1.832 1.00 0.00 C ATOM 985 CG TYR A 67 -0.280 9.006 -2.571 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.940 9.378 -2.014 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.627 9.555 -3.801 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.784 10.262 -2.659 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.217 10.436 -4.455 1.00 0.00 C ATOM 990 CZ TYR A 67 1.419 10.787 -3.878 1.00 0.00 C ATOM 991 OH TYR A 67 2.257 11.673 -4.519 1.00 0.00 O ATOM 0 H TYR A 67 0.625 6.286 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.613 5.982 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.237 8.420 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.984 8.107 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.233 8.968 -1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.571 9.289 -4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.726 10.540 -2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.065 10.847 -5.413 1.00 0.00 H new ATOM 0 HH TYR A 67 1.853 11.949 -5.368 1.00 0.00 H new ATOM 1001 N THR A 68 -3.259 5.891 -3.301 1.00 0.00 N ATOM 1002 CA THR A 68 -4.224 5.677 -4.373 1.00 0.00 C ATOM 1003 C THR A 68 -5.613 6.108 -3.894 1.00 0.00 C ATOM 1004 O THR A 68 -5.963 5.915 -2.724 1.00 0.00 O ATOM 1005 CB THR A 68 -4.261 4.194 -4.846 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.819 4.115 -6.158 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.091 3.309 -3.933 1.00 0.00 C ATOM 0 H THR A 68 -3.615 5.658 -2.374 1.00 0.00 H new ATOM 0 HA THR A 68 -3.915 6.279 -5.228 1.00 0.00 H new ATOM 0 HB THR A 68 -3.230 3.839 -4.830 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.838 3.180 -6.450 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.082 2.287 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.671 3.328 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.117 3.676 -3.905 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.372 6.741 -4.781 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.737 7.169 -4.478 1.00 0.00 C ATOM 1017 C GLU A 69 -8.647 5.955 -4.267 1.00 0.00 C ATOM 1018 O GLU A 69 -8.616 5.016 -5.068 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.282 7.998 -5.645 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.266 9.084 -5.231 1.00 0.00 C ATOM 1021 CD GLU A 69 -8.585 10.276 -4.594 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -7.915 11.038 -5.326 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -8.740 10.476 -3.373 1.00 0.00 O ATOM 0 H GLU A 69 -6.063 6.972 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.719 7.766 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.446 8.461 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.772 7.330 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.825 9.415 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.989 8.666 -4.530 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.464 5.965 -3.214 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.381 4.856 -2.976 1.00 0.00 C ATOM 1032 C PHE A 70 -11.787 5.341 -2.655 1.00 0.00 C ATOM 1033 O PHE A 70 -11.985 6.499 -2.302 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.858 3.947 -1.846 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.960 4.481 -0.430 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.836 4.526 0.374 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.166 4.904 0.107 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -8.918 4.978 1.682 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.247 5.363 1.404 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.125 5.396 2.193 1.00 0.00 C ATOM 0 H PHE A 70 -9.509 6.715 -2.525 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.433 4.278 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.401 3.003 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.811 3.723 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.883 4.205 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.058 4.873 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.033 5.002 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.195 5.697 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.189 5.749 3.212 1.00 0.00 H new ATOM 1050 N THR A 71 -12.755 4.456 -2.830 1.00 0.00 N ATOM 1051 CA THR A 71 -14.097 4.656 -2.302 1.00 0.00 C ATOM 1052 C THR A 71 -14.656 3.321 -1.790 1.00 0.00 C ATOM 1053 O THR A 71 -14.970 2.437 -2.591 1.00 0.00 O ATOM 1054 CB THR A 71 -15.021 5.254 -3.391 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.446 6.474 -3.888 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.413 5.538 -2.845 1.00 0.00 C ATOM 0 H THR A 71 -12.634 3.581 -3.340 1.00 0.00 H new ATOM 0 HA THR A 71 -14.053 5.360 -1.471 1.00 0.00 H new ATOM 0 HB THR A 71 -15.113 4.525 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.029 6.853 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.035 5.957 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.859 4.611 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.343 6.250 -2.023 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.771 3.132 -0.449 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.170 1.841 0.109 1.00 0.00 C ATOM 1066 C PRO A 72 -16.618 1.500 -0.159 1.00 0.00 C ATOM 1067 O PRO A 72 -17.507 2.348 -0.102 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.924 1.953 1.619 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.457 3.354 1.889 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.543 4.146 0.607 1.00 0.00 C ATOM 0 HA PRO A 72 -14.595 1.041 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.837 1.738 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.176 1.229 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.073 3.816 2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.432 3.346 2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.357 4.870 0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.626 4.707 0.426 1.00 0.00 H new ATOM 1078 N THR A 73 -16.810 0.230 -0.439 1.00 0.00 N ATOM 1079 CA THR A 73 -18.107 -0.361 -0.690 1.00 0.00 C ATOM 1080 C THR A 73 -18.151 -1.666 0.089 1.00 0.00 C ATOM 1081 O THR A 73 -17.100 -2.195 0.441 1.00 0.00 O ATOM 1082 CB THR A 73 -18.291 -0.663 -2.194 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.382 -1.702 -2.583 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.049 0.581 -3.037 1.00 0.00 C ATOM 0 H THR A 73 -16.044 -0.441 -0.500 1.00 0.00 H new ATOM 0 HA THR A 73 -18.899 0.323 -0.385 1.00 0.00 H new ATOM 0 HB THR A 73 -19.318 -0.988 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.960 -1.465 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.185 0.339 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.756 1.359 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.032 0.938 -2.876 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.334 -2.184 0.383 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.433 -3.470 1.075 1.00 0.00 C ATOM 1094 C GLU A 74 -18.958 -4.645 0.203 1.00 0.00 C ATOM 1095 O GLU A 74 -19.109 -5.803 0.592 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.847 -3.722 1.624 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.984 -3.438 0.662 1.00 0.00 C ATOM 1098 CD GLU A 74 -23.336 -3.743 1.271 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.832 -4.874 1.089 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -23.905 -2.859 1.946 1.00 0.00 O ATOM 0 H GLU A 74 -20.228 -1.746 0.160 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.755 -3.409 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.914 -4.763 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.986 -3.109 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.951 -2.391 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.851 -4.034 -0.241 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.422 -4.355 -0.987 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.952 -5.407 -1.880 1.00 0.00 C ATOM 1109 C LYS A 75 -16.424 -5.425 -2.032 1.00 0.00 C ATOM 1110 O LYS A 75 -15.831 -6.499 -2.154 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.586 -5.258 -3.272 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.118 -5.193 -3.301 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.783 -6.566 -3.360 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.729 -7.313 -2.039 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.573 -8.534 -2.073 1.00 0.00 N ATOM 0 H LYS A 75 -18.305 -3.408 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.255 -6.349 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.193 -4.353 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.264 -6.097 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.469 -4.666 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.433 -4.608 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.824 -6.446 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.297 -7.166 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.698 -7.588 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.065 -6.658 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.515 -9.022 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.561 -8.268 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.236 -9.168 -2.825 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.779 -4.259 -2.047 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.369 -4.199 -2.423 1.00 0.00 C ATOM 1131 C ASP A 76 -13.419 -4.190 -1.205 1.00 0.00 C ATOM 1132 O ASP A 76 -13.517 -3.339 -0.328 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.085 -2.963 -3.283 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.994 -2.834 -4.487 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.936 -3.709 -5.373 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.735 -1.830 -4.573 1.00 0.00 O ATOM 0 H ASP A 76 -16.200 -3.361 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.175 -5.107 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.187 -2.071 -2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.050 -2.999 -3.623 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.466 -5.114 -1.218 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.417 -5.252 -0.192 1.00 0.00 C ATOM 1143 C GLU A 77 -10.156 -4.541 -0.684 1.00 0.00 C ATOM 1144 O GLU A 77 -9.910 -4.500 -1.891 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.106 -6.740 0.004 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.943 -7.045 0.946 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.506 -8.487 0.832 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -10.062 -9.348 1.548 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.616 -8.773 0.004 1.00 0.00 O ATOM 0 H GLU A 77 -12.392 -5.811 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.751 -4.816 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.000 -7.234 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.889 -7.180 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.104 -6.389 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.239 -6.833 1.973 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.359 -3.994 0.223 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.120 -3.317 -0.169 1.00 0.00 C ATOM 1158 C TYR A 78 -6.901 -3.987 0.468 1.00 0.00 C ATOM 1159 O TYR A 78 -6.886 -4.249 1.671 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.175 -1.826 0.203 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.200 -1.040 -0.589 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.816 -0.224 -1.646 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.555 -1.127 -0.288 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.752 0.482 -2.379 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.496 -0.420 -1.020 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.086 0.381 -2.061 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.015 1.086 -2.790 1.00 0.00 O ATOM 0 H TYR A 78 -9.541 -4.002 1.227 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.021 -3.398 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.400 -1.733 1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.191 -1.385 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.769 -0.140 -1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.879 -1.755 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.436 1.111 -3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.545 -0.497 -0.775 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.912 0.905 -2.439 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.887 -4.270 -0.351 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.673 -4.955 0.100 1.00 0.00 C ATOM 1179 C ALA A 79 -3.420 -4.259 -0.440 1.00 0.00 C ATOM 1180 O ALA A 79 -3.508 -3.481 -1.381 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.703 -6.404 -0.366 1.00 0.00 C ATOM 0 H ALA A 79 -5.883 -4.032 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.639 -4.921 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.800 -6.913 -0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.577 -6.903 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.754 -6.435 -1.454 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.263 -4.512 0.172 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.004 -3.990 -0.353 1.00 0.00 C ATOM 1189 C CYS A 80 0.029 -5.114 -0.509 1.00 0.00 C ATOM 1190 O CYS A 80 0.249 -5.899 0.414 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.479 -2.878 0.554 1.00 0.00 C ATOM 1192 SG CYS A 80 1.149 -2.223 0.073 1.00 0.00 S ATOM 0 H CYS A 80 -2.172 -5.069 1.022 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.184 -3.569 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.199 -2.060 0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.418 -3.256 1.574 1.00 0.00 H new ATOM 1197 N ARG A 81 0.620 -5.213 -1.702 1.00 0.00 N ATOM 1198 CA ARG A 81 1.560 -6.290 -2.045 1.00 0.00 C ATOM 1199 C ARG A 81 2.991 -5.758 -2.084 1.00 0.00 C ATOM 1200 O ARG A 81 3.253 -4.757 -2.747 1.00 0.00 O ATOM 1201 CB ARG A 81 1.193 -6.835 -3.432 1.00 0.00 C ATOM 1202 CG ARG A 81 1.705 -8.242 -3.749 1.00 0.00 C ATOM 1203 CD ARG A 81 0.993 -8.828 -4.981 1.00 0.00 C ATOM 1204 NE ARG A 81 1.258 -8.035 -6.186 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.511 -8.064 -7.291 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.551 -8.855 -7.367 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.840 -7.309 -8.334 1.00 0.00 N ATOM 0 H ARG A 81 0.462 -4.549 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 81 1.497 -7.075 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.107 -6.833 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.580 -6.149 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.780 -8.209 -3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.545 -8.893 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.325 -9.854 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.081 -8.865 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 81 2.070 -7.418 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.803 -9.448 -6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.116 -8.870 -8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.663 -6.708 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.270 -7.330 -9.179 1.00 0.00 H new ATOM 1221 N VAL A 82 3.915 -6.412 -1.386 1.00 0.00 N ATOM 1222 CA VAL A 82 5.311 -5.983 -1.440 1.00 0.00 C ATOM 1223 C VAL A 82 6.258 -7.153 -1.680 1.00 0.00 C ATOM 1224 O VAL A 82 6.057 -8.258 -1.171 1.00 0.00 O ATOM 1225 CB VAL A 82 5.752 -5.214 -0.167 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.117 -6.166 0.966 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.914 -4.286 -0.491 1.00 0.00 C ATOM 0 H VAL A 82 3.732 -7.220 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 82 5.371 -5.299 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 82 4.908 -4.614 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.421 -5.591 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.252 -6.780 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.939 -6.809 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.215 -3.752 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.755 -4.872 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.606 -3.569 -1.252 1.00 0.00 H new ATOM 1237 N ASN A 83 7.276 -6.888 -2.479 1.00 0.00 N ATOM 1238 CA ASN A 83 8.300 -7.874 -2.769 1.00 0.00 C ATOM 1239 C ASN A 83 9.678 -7.249 -2.673 1.00 0.00 C ATOM 1240 O ASN A 83 9.890 -6.109 -3.098 1.00 0.00 O ATOM 1241 CB ASN A 83 8.096 -8.478 -4.162 1.00 0.00 C ATOM 1242 CG ASN A 83 9.008 -9.667 -4.419 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.337 -10.423 -3.504 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.431 -9.835 -5.664 1.00 0.00 N ATOM 0 H ASN A 83 7.415 -5.990 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 83 8.220 -8.672 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.057 -8.790 -4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.280 -7.713 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.051 -10.612 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.136 -9.187 -6.395 1.00 0.00 H new ATOM 1251 N HIS A 84 10.598 -7.995 -2.093 1.00 0.00 N ATOM 1252 CA HIS A 84 11.982 -7.584 -2.003 1.00 0.00 C ATOM 1253 C HIS A 84 12.858 -8.753 -2.427 1.00 0.00 C ATOM 1254 O HIS A 84 12.383 -9.891 -2.455 1.00 0.00 O ATOM 1255 CB HIS A 84 12.331 -7.145 -0.568 1.00 0.00 C ATOM 1256 CG HIS A 84 13.726 -6.615 -0.394 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.781 -7.456 -0.129 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.182 -5.341 -0.443 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.845 -6.682 -0.022 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.530 -5.395 -0.205 1.00 0.00 N ATOM 0 H HIS A 84 10.405 -8.903 -1.671 1.00 0.00 H new ATOM 0 HA HIS A 84 12.154 -6.731 -2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.624 -6.377 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.194 -7.995 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.596 -4.454 -0.633 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.842 -7.042 0.187 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.172 -4.603 -0.173 1.00 0.00 H new ATOM 1268 N VAL A 85 14.112 -8.482 -2.751 1.00 0.00 N ATOM 1269 CA VAL A 85 15.048 -9.529 -3.157 1.00 0.00 C ATOM 1270 C VAL A 85 15.044 -10.702 -2.168 1.00 0.00 C ATOM 1271 O VAL A 85 15.131 -11.863 -2.572 1.00 0.00 O ATOM 1272 CB VAL A 85 16.488 -8.981 -3.292 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.453 -10.076 -3.730 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.529 -7.812 -4.268 1.00 0.00 C ATOM 0 H VAL A 85 14.511 -7.543 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 85 14.712 -9.886 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 85 16.804 -8.625 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.458 -9.662 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.453 -10.878 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.139 -10.473 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.551 -7.441 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.185 -8.144 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.881 -7.014 -3.907 1.00 0.00 H new ATOM 1284 N THR A 86 14.895 -10.403 -0.882 1.00 0.00 N ATOM 1285 CA THR A 86 14.981 -11.445 0.147 1.00 0.00 C ATOM 1286 C THR A 86 13.760 -12.373 0.120 1.00 0.00 C ATOM 1287 O THR A 86 13.915 -13.588 -0.030 1.00 0.00 O ATOM 1288 CB THR A 86 15.180 -10.864 1.575 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.107 -11.909 2.552 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.151 -9.787 1.903 1.00 0.00 C ATOM 0 H THR A 86 14.717 -9.464 -0.526 1.00 0.00 H new ATOM 0 HA THR A 86 15.868 -12.030 -0.097 1.00 0.00 H new ATOM 0 HB THR A 86 16.168 -10.404 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.235 -11.530 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.328 -9.409 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.240 -8.969 1.188 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.149 -10.212 1.846 1.00 0.00 H new ATOM 1298 N LEU A 87 12.554 -11.806 0.258 1.00 0.00 N ATOM 1299 CA LEU A 87 11.329 -12.610 0.321 1.00 0.00 C ATOM 1300 C LEU A 87 11.238 -13.601 -0.828 1.00 0.00 C ATOM 1301 O LEU A 87 10.879 -14.765 -0.624 1.00 0.00 O ATOM 1302 CB LEU A 87 10.078 -11.728 0.296 1.00 0.00 C ATOM 1303 CG LEU A 87 10.054 -10.581 1.297 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.865 -9.684 1.027 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.017 -11.111 2.722 1.00 0.00 C ATOM 0 H LEU A 87 12.402 -10.800 0.328 1.00 0.00 H new ATOM 0 HA LEU A 87 11.377 -13.156 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.970 -11.313 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.208 -12.360 0.475 1.00 0.00 H new ATOM 0 HG LEU A 87 10.966 -9.996 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.855 -8.866 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.937 -9.278 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.945 -10.261 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.000 -10.275 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.123 -11.718 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.902 -11.720 2.907 1.00 0.00 H new ATOM 1317 N SER A 88 11.551 -13.117 -2.036 1.00 0.00 N ATOM 1318 CA SER A 88 11.465 -13.908 -3.266 1.00 0.00 C ATOM 1319 C SER A 88 10.002 -14.130 -3.677 1.00 0.00 C ATOM 1320 O SER A 88 9.690 -14.266 -4.859 1.00 0.00 O ATOM 1321 CB SER A 88 12.206 -15.242 -3.107 1.00 0.00 C ATOM 1322 OG SER A 88 13.534 -15.029 -2.641 1.00 0.00 O ATOM 0 H SER A 88 11.872 -12.161 -2.187 1.00 0.00 H new ATOM 0 HA SER A 88 11.951 -13.348 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.668 -15.881 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.231 -15.766 -4.063 1.00 0.00 H new ATOM 0 HG SER A 88 13.507 -14.681 -1.725 1.00 0.00 H new ATOM 1328 N GLN A 89 9.116 -14.154 -2.690 1.00 0.00 N ATOM 1329 CA GLN A 89 7.681 -14.238 -2.928 1.00 0.00 C ATOM 1330 C GLN A 89 6.973 -13.113 -2.162 1.00 0.00 C ATOM 1331 O GLN A 89 7.114 -13.020 -0.942 1.00 0.00 O ATOM 1332 CB GLN A 89 7.120 -15.617 -2.500 1.00 0.00 C ATOM 1333 CG GLN A 89 7.347 -15.984 -1.031 1.00 0.00 C ATOM 1334 CD GLN A 89 6.504 -17.162 -0.597 1.00 0.00 C ATOM 1335 OE1 GLN A 89 6.905 -18.316 -0.736 1.00 0.00 O ATOM 1336 NE2 GLN A 89 5.331 -16.876 -0.057 1.00 0.00 N ATOM 0 H GLN A 89 9.371 -14.116 -1.703 1.00 0.00 H new ATOM 0 HA GLN A 89 7.498 -14.125 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.049 -15.634 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.574 -16.386 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.400 -16.217 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.115 -15.123 -0.404 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.037 -15.904 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.720 -17.627 0.263 1.00 0.00 H new ATOM 1345 N PRO A 90 6.238 -12.212 -2.848 1.00 0.00 N ATOM 1346 CA PRO A 90 5.552 -11.110 -2.161 1.00 0.00 C ATOM 1347 C PRO A 90 4.399 -11.575 -1.266 1.00 0.00 C ATOM 1348 O PRO A 90 3.830 -12.654 -1.460 1.00 0.00 O ATOM 1349 CB PRO A 90 5.005 -10.236 -3.276 1.00 0.00 C ATOM 1350 CG PRO A 90 4.933 -11.124 -4.477 1.00 0.00 C ATOM 1351 CD PRO A 90 6.043 -12.159 -4.314 1.00 0.00 C ATOM 0 HA PRO A 90 6.246 -10.596 -1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.022 -9.841 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.654 -9.380 -3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.958 -11.607 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.069 -10.550 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.752 -13.129 -4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.954 -11.858 -4.831 1.00 0.00 H new ATOM 1359 N LYS A 91 4.060 -10.739 -0.295 1.00 0.00 N ATOM 1360 CA LYS A 91 2.926 -11.001 0.584 1.00 0.00 C ATOM 1361 C LYS A 91 1.863 -9.899 0.479 1.00 0.00 C ATOM 1362 O LYS A 91 2.169 -8.746 0.176 1.00 0.00 O ATOM 1363 CB LYS A 91 3.344 -11.253 2.056 1.00 0.00 C ATOM 1364 CG LYS A 91 4.668 -10.622 2.534 1.00 0.00 C ATOM 1365 CD LYS A 91 4.571 -9.729 3.782 1.00 0.00 C ATOM 1366 CE LYS A 91 4.521 -10.546 5.084 1.00 0.00 C ATOM 1367 NZ LYS A 91 3.260 -11.314 5.242 1.00 0.00 N ATOM 0 H LYS A 91 4.555 -9.870 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 91 2.478 -11.930 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.544 -10.888 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.410 -12.330 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.378 -11.424 2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.082 -10.030 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.428 -9.056 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.679 -9.107 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.365 -11.236 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.638 -9.873 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.178 -11.648 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.450 -10.702 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.268 -12.130 4.598 1.00 0.00 H new ATOM 1381 N ILE A 92 0.610 -10.295 0.713 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.528 -9.373 0.651 1.00 0.00 C ATOM 1383 C ILE A 92 -1.011 -9.029 2.051 1.00 0.00 C ATOM 1384 O ILE A 92 -1.168 -9.906 2.903 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.719 -9.906 -0.220 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.754 -9.217 -1.590 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.068 -9.716 0.465 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.487 -7.737 -1.526 1.00 0.00 C ATOM 0 H ILE A 92 0.356 -11.254 0.949 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.164 -8.473 0.156 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.546 -10.974 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.015 -9.683 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.730 -9.382 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.860 -10.101 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.075 -10.256 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.235 -8.655 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.527 -7.316 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.241 -7.258 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.499 -7.564 -1.100 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.222 -7.749 2.285 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.778 -7.272 3.536 1.00 0.00 C ATOM 1402 C VAL A 93 -3.114 -6.607 3.253 1.00 0.00 C ATOM 1403 O VAL A 93 -3.185 -5.655 2.482 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.831 -6.270 4.230 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.502 -5.091 3.333 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.424 -5.793 5.545 1.00 0.00 C ATOM 0 H VAL A 93 -1.013 -7.010 1.614 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.910 -8.121 4.207 1.00 0.00 H new ATOM 0 HB VAL A 93 0.102 -6.794 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.167 -4.409 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.016 -5.449 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.421 -4.567 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.741 -5.088 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.379 -5.302 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.579 -6.646 6.205 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.179 -7.106 3.842 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.483 -6.559 3.555 1.00 0.00 C ATOM 1418 C LYS A 94 -5.969 -5.729 4.726 1.00 0.00 C ATOM 1419 O LYS A 94 -5.675 -6.031 5.883 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.481 -7.666 3.242 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.979 -8.647 2.215 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.733 -9.962 2.307 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.425 -10.721 3.588 1.00 0.00 C ATOM 1424 NZ LYS A 94 -7.049 -12.070 3.582 1.00 0.00 N ATOM 0 H LYS A 94 -4.168 -7.876 4.511 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.400 -5.919 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.719 -8.202 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.409 -7.219 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.095 -8.226 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.914 -8.823 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.804 -9.768 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.478 -10.584 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.346 -10.818 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.788 -10.154 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.820 -12.562 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.081 -11.975 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.683 -12.618 2.778 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.702 -4.683 4.417 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.188 -3.775 5.438 1.00 0.00 C ATOM 1440 C TRP A 95 -8.450 -4.347 6.085 1.00 0.00 C ATOM 1441 O TRP A 95 -9.444 -4.628 5.410 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.423 -2.373 4.844 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.910 -1.335 5.827 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.384 -1.032 7.059 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.015 -0.432 5.638 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.108 -0.036 7.652 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.116 0.352 6.808 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.934 -0.213 4.597 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.095 1.326 6.970 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.902 0.756 4.757 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -10.983 1.512 5.933 1.00 0.00 C ATOM 0 H TRP A 95 -6.976 -4.438 3.466 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.435 -3.669 6.219 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.491 -2.022 4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.150 -2.455 4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.521 -1.512 7.497 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.927 0.356 8.576 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.883 -0.794 3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.157 1.914 7.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.610 0.935 3.961 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.759 2.257 6.029 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.376 -4.536 7.395 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.442 -5.174 8.161 1.00 0.00 C ATOM 1464 C ASP A 96 -10.674 -4.276 8.233 1.00 0.00 C ATOM 1465 O ASP A 96 -10.689 -3.279 8.960 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.942 -5.545 9.573 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.272 -4.392 10.292 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -7.226 -3.909 9.800 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -8.762 -3.991 11.368 1.00 0.00 O ATOM 0 H ASP A 96 -7.575 -4.252 7.959 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.731 -6.092 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.785 -5.896 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.239 -6.374 9.496 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.707 -4.649 7.467 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.966 -3.905 7.433 1.00 0.00 C ATOM 1476 C ARG A 97 -13.919 -4.535 6.411 1.00 0.00 C ATOM 1477 O ARG A 97 -15.101 -4.202 6.359 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.696 -2.419 7.104 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.587 -2.097 5.604 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.942 -1.821 4.954 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.835 -1.671 3.509 1.00 0.00 N ATOM 1482 CZ ARG A 97 -14.864 -1.818 2.681 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.084 -2.023 3.159 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.680 -1.753 1.377 1.00 0.00 N ATOM 0 H ARG A 97 -11.692 -5.468 6.859 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.440 -3.953 8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.496 -1.816 7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.771 -2.116 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.942 -1.229 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.108 -2.932 5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.627 -2.637 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.371 -0.915 5.382 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.924 -1.441 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.236 -2.068 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.870 -2.135 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.746 -1.590 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.472 -1.866 0.744 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.394 -5.469 5.623 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.151 -6.085 4.529 1.00 0.00 C ATOM 1500 C ASP A 98 -13.579 -7.464 4.166 1.00 0.00 C ATOM 1501 O ASP A 98 -14.171 -8.204 3.380 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.128 -5.178 3.296 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.073 -5.650 2.204 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.304 -5.549 2.397 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.586 -6.112 1.156 1.00 0.00 O ATOM 0 H ASP A 98 -12.441 -5.820 5.720 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.180 -6.216 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.398 -4.164 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.113 -5.136 2.900 1.00 0.00 H new ATOM 1510 N MET A 99 -12.435 -7.815 4.759 1.00 0.00 N ATOM 1511 CA MET A 99 -11.770 -9.088 4.461 1.00 0.00 C ATOM 1512 C MET A 99 -12.655 -10.274 4.840 1.00 0.00 C ATOM 1513 CB MET A 99 -10.395 -9.209 5.156 1.00 0.00 C ATOM 1514 CG MET A 99 -10.159 -8.241 6.335 1.00 0.00 C ATOM 1515 SD MET A 99 -11.487 -8.206 7.555 1.00 0.00 S ATOM 1516 CE MET A 99 -11.233 -9.778 8.376 1.00 0.00 C ATOM 0 H MET A 99 -11.950 -7.238 5.447 1.00 0.00 H new ATOM 0 HA MET A 99 -11.599 -9.104 3.385 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.279 -10.230 5.518 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.616 -9.045 4.412 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.231 -8.518 6.835 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.020 -7.235 5.940 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.980 -9.904 9.160 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.328 -10.587 7.651 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.236 -9.801 8.817 1.00 0.00 H new