USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 660 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 135:sc= -1.37 (180deg=-2.07!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -140:sc= 0.152 (180deg=0) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.113 X(o=0.039,f=0.43) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 14 THR OG1 : rot 104:sc= -3.71! USER MOD Single : A 15 ASN : amide:sc= -6.82! C(o=-6.8!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.2) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.087 USER MOD Single : A 27 SER OG : rot 60:sc= 0.164 USER MOD Single : A 28 THR OG1 : rot -31:sc= -0.964 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 34 GLN : amide:sc= -2.29 K(o=-2.3,f=-3.7!) USER MOD Single : A 36 SER OG : rot 65:sc= 0.745 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.69! C(o=-4.7!,f=-9.9!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.155 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-2.2) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 10.915 10.573 -5.101 1.00 0.00 N ATOM 24 CA GLU A 7 10.045 9.516 -4.605 1.00 0.00 C ATOM 25 C GLU A 7 10.046 9.477 -3.081 1.00 0.00 C ATOM 26 O GLU A 7 11.031 9.843 -2.439 1.00 0.00 O ATOM 27 CB GLU A 7 10.497 8.165 -5.158 1.00 0.00 C ATOM 28 CG GLU A 7 9.819 7.782 -6.463 1.00 0.00 C ATOM 29 CD GLU A 7 10.798 7.280 -7.506 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.691 6.485 -7.146 1.00 0.00 O ATOM 31 OE2 GLU A 7 10.673 7.681 -8.681 1.00 0.00 O ATOM 0 HA GLU A 7 9.030 9.725 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.576 8.188 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.298 7.393 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.075 7.010 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.285 8.647 -6.858 1.00 0.00 H new ATOM 38 N LYS A 8 8.938 9.022 -2.508 1.00 0.00 N ATOM 39 CA LYS A 8 8.809 8.922 -1.064 1.00 0.00 C ATOM 40 C LYS A 8 9.098 7.498 -0.606 1.00 0.00 C ATOM 41 O LYS A 8 8.894 6.542 -1.354 1.00 0.00 O ATOM 42 CB LYS A 8 7.404 9.348 -0.620 1.00 0.00 C ATOM 43 CG LYS A 8 6.308 8.364 -1.005 1.00 0.00 C ATOM 44 CD LYS A 8 5.227 9.031 -1.842 1.00 0.00 C ATOM 45 CE LYS A 8 3.853 8.454 -1.542 1.00 0.00 C ATOM 46 NZ LYS A 8 2.767 9.244 -2.185 1.00 0.00 N ATOM 0 H LYS A 8 8.114 8.716 -3.026 1.00 0.00 H new ATOM 0 HA LYS A 8 9.535 9.592 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.399 9.476 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.175 10.320 -1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.742 7.535 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.863 7.943 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.223 10.103 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.454 8.902 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.808 7.423 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.696 8.432 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.962 9.324 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.120 10.194 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.459 8.766 -3.056 1.00 0.00 H new ATOM 60 N LYS A 9 9.576 7.361 0.623 1.00 0.00 N ATOM 61 CA LYS A 9 9.896 6.053 1.173 1.00 0.00 C ATOM 62 C LYS A 9 8.902 5.669 2.261 1.00 0.00 C ATOM 63 O LYS A 9 8.582 6.472 3.137 1.00 0.00 O ATOM 64 CB LYS A 9 11.321 6.041 1.731 1.00 0.00 C ATOM 65 CG LYS A 9 11.698 4.734 2.413 1.00 0.00 C ATOM 66 CD LYS A 9 11.806 4.900 3.920 1.00 0.00 C ATOM 67 CE LYS A 9 13.240 5.162 4.350 1.00 0.00 C ATOM 68 NZ LYS A 9 13.308 6.079 5.522 1.00 0.00 N ATOM 0 H LYS A 9 9.750 8.140 1.258 1.00 0.00 H new ATOM 0 HA LYS A 9 9.829 5.320 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.022 6.232 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.430 6.858 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.951 3.974 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.649 4.377 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.172 5.726 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.435 4.002 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.723 4.217 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.796 5.594 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.302 6.233 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.870 6.990 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.799 5.655 6.324 1.00 0.00 H new ATOM 82 N ILE A 10 8.413 4.438 2.196 1.00 0.00 N ATOM 83 CA ILE A 10 7.450 3.952 3.173 1.00 0.00 C ATOM 84 C ILE A 10 7.774 2.523 3.596 1.00 0.00 C ATOM 85 O ILE A 10 8.535 1.824 2.927 1.00 0.00 O ATOM 86 CB ILE A 10 6.005 4.015 2.627 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.952 4.844 1.335 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.079 4.598 3.685 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.550 5.216 0.896 1.00 0.00 C ATOM 0 H ILE A 10 8.667 3.759 1.478 1.00 0.00 H new ATOM 0 HA ILE A 10 7.520 4.606 4.042 1.00 0.00 H new ATOM 0 HB ILE A 10 5.671 3.005 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.531 5.757 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.435 4.282 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.062 4.640 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.101 3.968 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.410 5.604 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.599 5.800 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.972 4.309 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.069 5.807 1.676 1.00 0.00 H new ATOM 101 N ARG A 11 7.197 2.095 4.715 1.00 0.00 N ATOM 102 CA ARG A 11 7.432 0.752 5.230 1.00 0.00 C ATOM 103 C ARG A 11 6.310 -0.196 4.821 1.00 0.00 C ATOM 104 O ARG A 11 5.157 0.214 4.682 1.00 0.00 O ATOM 105 CB ARG A 11 7.555 0.786 6.755 1.00 0.00 C ATOM 106 CG ARG A 11 7.822 -0.575 7.378 1.00 0.00 C ATOM 107 CD ARG A 11 7.458 -0.592 8.854 1.00 0.00 C ATOM 108 NE ARG A 11 8.136 0.466 9.598 1.00 0.00 N ATOM 109 CZ ARG A 11 9.396 0.386 10.019 1.00 0.00 C ATOM 110 NH1 ARG A 11 10.119 -0.699 9.771 1.00 0.00 N ATOM 111 NH2 ARG A 11 9.936 1.395 10.692 1.00 0.00 N ATOM 0 H ARG A 11 6.564 2.659 5.282 1.00 0.00 H new ATOM 0 HA ARG A 11 8.365 0.384 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.361 1.466 7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.636 1.194 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.247 -1.337 6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.875 -0.831 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.380 -0.477 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.720 -1.560 9.281 1.00 0.00 H new ATOM 0 HE ARG A 11 7.613 1.316 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.710 -1.478 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.084 -0.754 10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.385 2.231 10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.902 1.334 11.015 1.00 0.00 H new ATOM 125 N ILE A 12 6.653 -1.467 4.635 1.00 0.00 N ATOM 126 CA ILE A 12 5.674 -2.473 4.251 1.00 0.00 C ATOM 127 C ILE A 12 5.801 -3.716 5.121 1.00 0.00 C ATOM 128 O ILE A 12 6.901 -4.099 5.519 1.00 0.00 O ATOM 129 CB ILE A 12 5.830 -2.893 2.777 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.728 -1.682 1.847 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.778 -3.933 2.420 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.383 -1.902 0.497 1.00 0.00 C ATOM 0 H ILE A 12 7.603 -1.823 4.745 1.00 0.00 H new ATOM 0 HA ILE A 12 4.693 -2.018 4.390 1.00 0.00 H new ATOM 0 HB ILE A 12 6.819 -3.331 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.677 -1.436 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.190 -0.822 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.895 -4.225 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.901 -4.808 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.784 -3.511 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.273 -1.004 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.442 -2.118 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.905 -2.742 -0.007 1.00 0.00 H new ATOM 144 N THR A 13 4.669 -4.348 5.407 1.00 0.00 N ATOM 145 CA THR A 13 4.663 -5.556 6.223 1.00 0.00 C ATOM 146 C THR A 13 3.496 -6.467 5.860 1.00 0.00 C ATOM 147 O THR A 13 2.336 -6.080 5.978 1.00 0.00 O ATOM 148 CB THR A 13 4.598 -5.197 7.702 1.00 0.00 C ATOM 149 OG1 THR A 13 5.192 -3.933 7.942 1.00 0.00 O ATOM 150 CG2 THR A 13 5.298 -6.208 8.573 1.00 0.00 C ATOM 0 H THR A 13 3.748 -4.046 5.088 1.00 0.00 H new ATOM 0 HA THR A 13 5.590 -6.094 6.024 1.00 0.00 H new ATOM 0 HB THR A 13 3.539 -5.180 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.138 -3.722 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.222 -5.904 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.831 -7.184 8.444 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.349 -6.268 8.289 1.00 0.00 H new ATOM 158 N THR A 14 3.811 -7.683 5.421 1.00 0.00 N ATOM 159 CA THR A 14 2.781 -8.643 5.044 1.00 0.00 C ATOM 160 C THR A 14 2.388 -9.526 6.216 1.00 0.00 C ATOM 161 O THR A 14 3.234 -9.938 7.020 1.00 0.00 O ATOM 162 CB THR A 14 3.237 -9.511 3.874 1.00 0.00 C ATOM 163 OG1 THR A 14 3.861 -10.696 4.334 1.00 0.00 O ATOM 164 CG2 THR A 14 4.201 -8.806 2.951 1.00 0.00 C ATOM 0 H THR A 14 4.767 -8.024 5.318 1.00 0.00 H new ATOM 0 HA THR A 14 1.908 -8.068 4.736 1.00 0.00 H new ATOM 0 HB THR A 14 2.330 -9.742 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.245 -11.451 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.486 -9.477 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.724 -7.918 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.090 -8.512 3.509 1.00 0.00 H new ATOM 172 N ASN A 15 1.091 -9.812 6.291 1.00 0.00 N ATOM 173 CA ASN A 15 0.525 -10.645 7.347 1.00 0.00 C ATOM 174 C ASN A 15 1.303 -11.944 7.517 1.00 0.00 C ATOM 175 O ASN A 15 1.338 -12.515 8.606 1.00 0.00 O ATOM 176 CB ASN A 15 -0.941 -10.957 7.042 1.00 0.00 C ATOM 177 CG ASN A 15 -1.136 -11.518 5.647 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.217 -11.509 4.827 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.338 -12.009 5.368 1.00 0.00 N ATOM 0 H ASN A 15 0.402 -9.472 5.620 1.00 0.00 H new ATOM 0 HA ASN A 15 0.594 -10.086 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.317 -11.672 7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.533 -10.048 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.528 -12.398 4.445 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.071 -11.997 6.077 1.00 0.00 H new ATOM 186 N ASP A 16 1.929 -12.410 6.441 1.00 0.00 N ATOM 187 CA ASP A 16 2.702 -13.645 6.501 1.00 0.00 C ATOM 188 C ASP A 16 3.810 -13.535 7.543 1.00 0.00 C ATOM 189 O ASP A 16 4.308 -14.543 8.043 1.00 0.00 O ATOM 190 CB ASP A 16 3.295 -13.977 5.131 1.00 0.00 C ATOM 191 CG ASP A 16 3.111 -15.438 4.769 1.00 0.00 C ATOM 192 OD1 ASP A 16 3.117 -16.283 5.689 1.00 0.00 O ATOM 193 OD2 ASP A 16 2.962 -15.738 3.565 1.00 0.00 O ATOM 0 H ASP A 16 1.917 -11.957 5.527 1.00 0.00 H new ATOM 0 HA ASP A 16 2.030 -14.452 6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.823 -13.354 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.358 -13.734 5.128 1.00 0.00 H new ATOM 198 N GLY A 17 4.185 -12.301 7.870 1.00 0.00 N ATOM 199 CA GLY A 17 5.225 -12.080 8.854 1.00 0.00 C ATOM 200 C GLY A 17 6.491 -11.520 8.242 1.00 0.00 C ATOM 201 O GLY A 17 7.588 -11.763 8.746 1.00 0.00 O ATOM 0 H GLY A 17 3.786 -11.452 7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.859 -11.393 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.453 -13.021 9.355 1.00 0.00 H new ATOM 205 N ARG A 18 6.346 -10.770 7.154 1.00 0.00 N ATOM 206 CA ARG A 18 7.504 -10.183 6.485 1.00 0.00 C ATOM 207 C ARG A 18 7.295 -8.691 6.235 1.00 0.00 C ATOM 208 O ARG A 18 6.164 -8.213 6.213 1.00 0.00 O ATOM 209 CB ARG A 18 7.791 -10.921 5.172 1.00 0.00 C ATOM 210 CG ARG A 18 6.939 -10.466 4.000 1.00 0.00 C ATOM 211 CD ARG A 18 7.154 -11.353 2.786 1.00 0.00 C ATOM 212 NE ARG A 18 6.714 -12.724 3.022 1.00 0.00 N ATOM 213 CZ ARG A 18 5.483 -13.164 2.767 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.542 -12.327 2.349 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.187 -14.443 2.950 1.00 0.00 N ATOM 0 H ARG A 18 5.448 -10.555 6.720 1.00 0.00 H new ATOM 0 HA ARG A 18 8.369 -10.292 7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.842 -10.787 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.634 -11.988 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.887 -10.483 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.184 -9.434 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.611 -10.940 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.211 -11.353 2.520 1.00 0.00 H new ATOM 0 HE ARG A 18 7.390 -13.385 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.759 -11.339 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.602 -12.672 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.902 -15.089 3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.245 -14.781 2.755 1.00 0.00 H new ATOM 229 N GLN A 19 8.393 -7.960 6.052 1.00 0.00 N ATOM 230 CA GLN A 19 8.317 -6.522 5.810 1.00 0.00 C ATOM 231 C GLN A 19 9.402 -6.057 4.847 1.00 0.00 C ATOM 232 O GLN A 19 10.405 -6.742 4.641 1.00 0.00 O ATOM 233 CB GLN A 19 8.433 -5.749 7.127 1.00 0.00 C ATOM 234 CG GLN A 19 9.410 -6.360 8.119 1.00 0.00 C ATOM 235 CD GLN A 19 10.854 -6.036 7.789 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.584 -6.871 7.255 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.272 -4.817 8.108 1.00 0.00 N ATOM 0 H GLN A 19 9.340 -8.338 6.067 1.00 0.00 H new ATOM 0 HA GLN A 19 7.347 -6.320 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.743 -4.727 6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.448 -5.692 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.180 -5.997 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.278 -7.442 8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.631 -4.157 8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.234 -4.540 7.911 1.00 0.00 H new ATOM 246 N SER A 20 9.191 -4.881 4.264 1.00 0.00 N ATOM 247 CA SER A 20 10.143 -4.305 3.323 1.00 0.00 C ATOM 248 C SER A 20 9.862 -2.820 3.113 1.00 0.00 C ATOM 249 O SER A 20 8.806 -2.318 3.499 1.00 0.00 O ATOM 250 CB SER A 20 10.085 -5.045 1.986 1.00 0.00 C ATOM 251 OG SER A 20 11.383 -5.222 1.444 1.00 0.00 O ATOM 0 H SER A 20 8.364 -4.306 4.429 1.00 0.00 H new ATOM 0 HA SER A 20 11.144 -4.413 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.610 -6.016 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.467 -4.485 1.284 1.00 0.00 H new ATOM 0 HG SER A 20 11.319 -5.699 0.590 1.00 0.00 H new ATOM 257 N MET A 21 10.811 -2.124 2.500 1.00 0.00 N ATOM 258 CA MET A 21 10.666 -0.695 2.238 1.00 0.00 C ATOM 259 C MET A 21 10.619 -0.415 0.744 1.00 0.00 C ATOM 260 O MET A 21 11.166 -1.167 -0.061 1.00 0.00 O ATOM 261 CB MET A 21 11.807 0.093 2.898 1.00 0.00 C ATOM 262 CG MET A 21 13.142 -0.016 2.173 1.00 0.00 C ATOM 263 SD MET A 21 14.023 -1.541 2.557 1.00 0.00 S ATOM 264 CE MET A 21 13.819 -2.442 1.022 1.00 0.00 C ATOM 0 H MET A 21 11.691 -2.525 2.174 1.00 0.00 H new ATOM 0 HA MET A 21 9.722 -0.367 2.672 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.522 1.144 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.932 -0.260 3.922 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.972 0.039 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.766 0.836 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.770 -2.889 0.733 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.075 -3.227 1.157 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.488 -1.759 0.240 1.00 0.00 H new ATOM 274 N VAL A 22 9.952 0.669 0.384 1.00 0.00 N ATOM 275 CA VAL A 22 9.818 1.050 -1.010 1.00 0.00 C ATOM 276 C VAL A 22 10.025 2.547 -1.196 1.00 0.00 C ATOM 277 O VAL A 22 10.122 3.294 -0.225 1.00 0.00 O ATOM 278 CB VAL A 22 8.430 0.669 -1.549 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.316 -0.838 -1.725 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.342 1.189 -0.626 1.00 0.00 C ATOM 0 H VAL A 22 9.494 1.301 1.041 1.00 0.00 H new ATOM 0 HA VAL A 22 10.586 0.512 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 22 8.300 1.133 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.326 -1.086 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.073 -1.180 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.467 -1.329 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.365 0.911 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.468 0.755 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.410 2.275 -0.559 1.00 0.00 H new ATOM 290 N THR A 23 10.084 2.976 -2.451 1.00 0.00 N ATOM 291 CA THR A 23 10.271 4.386 -2.772 1.00 0.00 C ATOM 292 C THR A 23 9.065 4.920 -3.541 1.00 0.00 C ATOM 293 O THR A 23 9.209 5.542 -4.594 1.00 0.00 O ATOM 294 CB THR A 23 11.547 4.579 -3.591 1.00 0.00 C ATOM 295 OG1 THR A 23 11.917 5.947 -3.627 1.00 0.00 O ATOM 296 CG2 THR A 23 11.413 4.100 -5.019 1.00 0.00 C ATOM 0 H THR A 23 10.005 2.366 -3.265 1.00 0.00 H new ATOM 0 HA THR A 23 10.366 4.944 -1.841 1.00 0.00 H new ATOM 0 HB THR A 23 12.308 3.979 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.737 6.050 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.352 4.265 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.175 3.036 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.616 4.653 -5.515 1.00 0.00 H new ATOM 304 N LEU A 24 7.879 4.659 -3.007 1.00 0.00 N ATOM 305 CA LEU A 24 6.628 5.095 -3.629 1.00 0.00 C ATOM 306 C LEU A 24 6.766 6.478 -4.266 1.00 0.00 C ATOM 307 O LEU A 24 7.291 7.407 -3.655 1.00 0.00 O ATOM 308 CB LEU A 24 5.503 5.109 -2.591 1.00 0.00 C ATOM 309 CG LEU A 24 4.237 4.356 -3.002 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.571 2.925 -3.392 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.217 4.380 -1.874 1.00 0.00 C ATOM 0 H LEU A 24 7.753 4.143 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 24 6.386 4.385 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.879 4.678 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.239 6.145 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 24 3.803 4.854 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.658 2.404 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.268 2.930 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.027 2.414 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.322 3.840 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.641 3.905 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.956 5.412 -1.641 1.00 0.00 H new ATOM 323 N LYS A 25 6.294 6.600 -5.500 1.00 0.00 N ATOM 324 CA LYS A 25 6.365 7.863 -6.223 1.00 0.00 C ATOM 325 C LYS A 25 5.378 8.875 -5.648 1.00 0.00 C ATOM 326 O LYS A 25 4.376 8.502 -5.037 1.00 0.00 O ATOM 327 CB LYS A 25 6.083 7.634 -7.709 1.00 0.00 C ATOM 328 CG LYS A 25 7.270 7.944 -8.608 1.00 0.00 C ATOM 329 CD LYS A 25 7.575 9.435 -8.638 1.00 0.00 C ATOM 330 CE LYS A 25 6.362 10.246 -9.069 1.00 0.00 C ATOM 331 NZ LYS A 25 6.693 11.205 -10.159 1.00 0.00 N ATOM 0 H LYS A 25 5.858 5.839 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 25 7.371 8.267 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.786 6.596 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.238 8.254 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.146 7.400 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.063 7.594 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.899 9.761 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.402 9.624 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.575 9.571 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.968 10.792 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.840 11.738 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.425 11.866 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.045 10.682 -10.986 1.00 0.00 H new ATOM 345 N SER A 26 5.671 10.156 -5.844 1.00 0.00 N ATOM 346 CA SER A 26 4.811 11.224 -5.342 1.00 0.00 C ATOM 347 C SER A 26 3.400 11.108 -5.910 1.00 0.00 C ATOM 348 O SER A 26 2.416 11.313 -5.199 1.00 0.00 O ATOM 349 CB SER A 26 5.404 12.590 -5.695 1.00 0.00 C ATOM 350 OG SER A 26 5.210 12.891 -7.066 1.00 0.00 O ATOM 0 H SER A 26 6.497 10.481 -6.347 1.00 0.00 H new ATOM 0 HA SER A 26 4.752 11.127 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.939 13.361 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.469 12.598 -5.465 1.00 0.00 H new ATOM 0 HG SER A 26 5.596 13.769 -7.266 1.00 0.00 H new ATOM 356 N SER A 27 3.308 10.778 -7.194 1.00 0.00 N ATOM 357 CA SER A 27 2.016 10.634 -7.856 1.00 0.00 C ATOM 358 C SER A 27 1.677 9.164 -8.075 1.00 0.00 C ATOM 359 O SER A 27 1.208 8.776 -9.145 1.00 0.00 O ATOM 360 CB SER A 27 2.022 11.374 -9.194 1.00 0.00 C ATOM 361 OG SER A 27 2.841 10.709 -10.141 1.00 0.00 O ATOM 0 H SER A 27 4.112 10.605 -7.797 1.00 0.00 H new ATOM 0 HA SER A 27 1.254 11.070 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.004 11.448 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.382 12.392 -9.048 1.00 0.00 H new ATOM 0 HG SER A 27 2.499 9.803 -10.291 1.00 0.00 H new ATOM 367 N THR A 28 1.918 8.347 -7.053 1.00 0.00 N ATOM 368 CA THR A 28 1.639 6.920 -7.136 1.00 0.00 C ATOM 369 C THR A 28 0.280 6.597 -6.519 1.00 0.00 C ATOM 370 O THR A 28 0.103 6.677 -5.303 1.00 0.00 O ATOM 371 CB THR A 28 2.756 6.122 -6.446 1.00 0.00 C ATOM 372 OG1 THR A 28 3.796 5.836 -7.366 1.00 0.00 O ATOM 373 CG2 THR A 28 2.298 4.804 -5.851 1.00 0.00 C ATOM 0 H THR A 28 2.305 8.650 -6.160 1.00 0.00 H new ATOM 0 HA THR A 28 1.606 6.633 -8.187 1.00 0.00 H new ATOM 0 HB THR A 28 3.097 6.759 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.421 5.749 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.145 4.302 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.528 4.991 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.892 4.171 -6.639 1.00 0.00 H new ATOM 381 N THR A 29 -0.673 6.229 -7.368 1.00 0.00 N ATOM 382 CA THR A 29 -2.015 5.887 -6.913 1.00 0.00 C ATOM 383 C THR A 29 -2.044 4.473 -6.345 1.00 0.00 C ATOM 384 O THR A 29 -1.040 3.761 -6.376 1.00 0.00 O ATOM 385 CB THR A 29 -3.011 6.012 -8.067 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.293 5.546 -7.680 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.591 5.244 -9.304 1.00 0.00 C ATOM 0 H THR A 29 -0.540 6.160 -8.377 1.00 0.00 H new ATOM 0 HA THR A 29 -2.300 6.583 -6.124 1.00 0.00 H new ATOM 0 HB THR A 29 -3.039 7.074 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.916 5.640 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.340 5.374 -10.085 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.630 5.619 -9.657 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.500 4.185 -9.061 1.00 0.00 H new ATOM 395 N PHE A 30 -3.200 4.067 -5.825 1.00 0.00 N ATOM 396 CA PHE A 30 -3.357 2.733 -5.252 1.00 0.00 C ATOM 397 C PHE A 30 -2.781 1.666 -6.180 1.00 0.00 C ATOM 398 O PHE A 30 -2.125 0.727 -5.730 1.00 0.00 O ATOM 399 CB PHE A 30 -4.832 2.439 -4.975 1.00 0.00 C ATOM 400 CG PHE A 30 -5.065 1.102 -4.331 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.752 0.897 -2.996 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.595 0.049 -5.060 1.00 0.00 C ATOM 403 CE1 PHE A 30 -4.964 -0.332 -2.401 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.810 -1.182 -4.470 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.493 -1.373 -3.139 1.00 0.00 C ATOM 0 H PHE A 30 -4.041 4.643 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.806 2.707 -4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.235 3.220 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.386 2.483 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.338 1.707 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.843 0.192 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.716 -0.479 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.225 -1.994 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.659 -2.335 -2.676 1.00 0.00 H new ATOM 415 N PHE A 31 -3.025 1.822 -7.477 1.00 0.00 N ATOM 416 CA PHE A 31 -2.524 0.877 -8.466 1.00 0.00 C ATOM 417 C PHE A 31 -1.000 0.887 -8.490 1.00 0.00 C ATOM 418 O PHE A 31 -0.360 -0.162 -8.410 1.00 0.00 O ATOM 419 CB PHE A 31 -3.068 1.216 -9.854 1.00 0.00 C ATOM 420 CG PHE A 31 -4.548 0.996 -9.992 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.449 1.933 -9.511 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.037 -0.147 -10.603 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.811 1.733 -9.638 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.397 -0.353 -10.732 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.285 0.588 -10.249 1.00 0.00 C ATOM 0 H PHE A 31 -3.566 2.594 -7.867 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.865 -0.120 -8.188 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.842 2.258 -10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.549 0.610 -10.596 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.083 2.829 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.347 -0.886 -10.983 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.503 2.471 -9.260 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.765 -1.249 -11.210 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.349 0.429 -10.349 1.00 0.00 H new ATOM 435 N GLU A 32 -0.425 2.080 -8.594 1.00 0.00 N ATOM 436 CA GLU A 32 1.024 2.230 -8.621 1.00 0.00 C ATOM 437 C GLU A 32 1.643 1.681 -7.341 1.00 0.00 C ATOM 438 O GLU A 32 2.757 1.160 -7.350 1.00 0.00 O ATOM 439 CB GLU A 32 1.405 3.701 -8.799 1.00 0.00 C ATOM 440 CG GLU A 32 1.408 4.158 -10.249 1.00 0.00 C ATOM 441 CD GLU A 32 2.347 5.325 -10.489 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.544 5.201 -10.156 1.00 0.00 O ATOM 443 OE2 GLU A 32 1.883 6.362 -11.010 1.00 0.00 O ATOM 0 H GLU A 32 -0.941 2.957 -8.661 1.00 0.00 H new ATOM 0 HA GLU A 32 1.411 1.662 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.708 4.319 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.395 3.865 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.699 3.325 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.397 4.444 -10.538 1.00 0.00 H new ATOM 450 N LEU A 33 0.905 1.795 -6.241 1.00 0.00 N ATOM 451 CA LEU A 33 1.374 1.303 -4.952 1.00 0.00 C ATOM 452 C LEU A 33 1.335 -0.221 -4.919 1.00 0.00 C ATOM 453 O LEU A 33 2.278 -0.868 -4.461 1.00 0.00 O ATOM 454 CB LEU A 33 0.518 1.883 -3.819 1.00 0.00 C ATOM 455 CG LEU A 33 0.645 1.173 -2.468 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.106 1.042 -2.066 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.140 1.918 -1.399 1.00 0.00 C ATOM 0 H LEU A 33 -0.020 2.224 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 33 2.405 1.626 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.785 2.931 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.527 1.857 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 33 0.227 0.171 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.174 0.535 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.640 0.464 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.552 2.033 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.039 1.400 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.248 2.932 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.192 1.957 -1.681 1.00 0.00 H new ATOM 469 N GLN A 34 0.239 -0.790 -5.414 1.00 0.00 N ATOM 470 CA GLN A 34 0.080 -2.238 -5.447 1.00 0.00 C ATOM 471 C GLN A 34 1.185 -2.882 -6.274 1.00 0.00 C ATOM 472 O GLN A 34 1.598 -4.011 -6.008 1.00 0.00 O ATOM 473 CB GLN A 34 -1.288 -2.608 -6.024 1.00 0.00 C ATOM 474 CG GLN A 34 -2.455 -2.126 -5.180 1.00 0.00 C ATOM 475 CD GLN A 34 -3.071 -3.235 -4.349 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.275 -3.480 -4.413 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.243 -3.914 -3.563 1.00 0.00 N ATOM 0 H GLN A 34 -0.550 -0.270 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 34 0.148 -2.613 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.376 -2.187 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.348 -3.691 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.116 -1.328 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.217 -1.699 -5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.251 -3.677 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.599 -4.672 -2.981 1.00 0.00 H new ATOM 486 N GLU A 35 1.663 -2.155 -7.278 1.00 0.00 N ATOM 487 CA GLU A 35 2.723 -2.651 -8.146 1.00 0.00 C ATOM 488 C GLU A 35 4.083 -2.553 -7.460 1.00 0.00 C ATOM 489 O GLU A 35 5.005 -3.300 -7.784 1.00 0.00 O ATOM 490 CB GLU A 35 2.744 -1.866 -9.459 1.00 0.00 C ATOM 491 CG GLU A 35 3.813 -2.335 -10.432 1.00 0.00 C ATOM 492 CD GLU A 35 3.293 -2.472 -11.850 1.00 0.00 C ATOM 493 OE1 GLU A 35 3.255 -1.452 -12.569 1.00 0.00 O ATOM 494 OE2 GLU A 35 2.923 -3.599 -12.240 1.00 0.00 O ATOM 0 H GLU A 35 1.332 -1.219 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 35 2.520 -3.700 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.768 -1.948 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.903 -0.810 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.644 -1.630 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.206 -3.296 -10.099 1.00 0.00 H new ATOM 501 N SER A 36 4.200 -1.629 -6.510 1.00 0.00 N ATOM 502 CA SER A 36 5.448 -1.439 -5.781 1.00 0.00 C ATOM 503 C SER A 36 5.695 -2.597 -4.820 1.00 0.00 C ATOM 504 O SER A 36 6.769 -3.197 -4.819 1.00 0.00 O ATOM 505 CB SER A 36 5.418 -0.118 -5.009 1.00 0.00 C ATOM 506 OG SER A 36 5.239 0.981 -5.887 1.00 0.00 O ATOM 0 H SER A 36 3.447 -1.002 -6.228 1.00 0.00 H new ATOM 0 HA SER A 36 6.262 -1.409 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.610 -0.139 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.348 0.004 -4.454 1.00 0.00 H new ATOM 0 HG SER A 36 4.360 0.917 -6.317 1.00 0.00 H new ATOM 512 N ILE A 37 4.691 -2.908 -4.006 1.00 0.00 N ATOM 513 CA ILE A 37 4.799 -3.997 -3.044 1.00 0.00 C ATOM 514 C ILE A 37 5.109 -5.312 -3.748 1.00 0.00 C ATOM 515 O ILE A 37 5.878 -6.132 -3.246 1.00 0.00 O ATOM 516 CB ILE A 37 3.504 -4.157 -2.225 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.104 -2.822 -1.594 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.679 -5.226 -1.155 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.648 -2.466 -1.805 1.00 0.00 C ATOM 0 H ILE A 37 3.795 -2.421 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 37 5.615 -3.745 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 37 2.705 -4.473 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.309 -2.859 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.727 -2.031 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.755 -5.326 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.919 -6.178 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.489 -4.940 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.435 -1.508 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.442 -2.396 -2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.017 -3.237 -1.363 1.00 0.00 H new ATOM 531 N ALA A 38 4.512 -5.504 -4.919 1.00 0.00 N ATOM 532 CA ALA A 38 4.731 -6.715 -5.697 1.00 0.00 C ATOM 533 C ALA A 38 6.204 -6.874 -6.062 1.00 0.00 C ATOM 534 O ALA A 38 6.648 -7.965 -6.422 1.00 0.00 O ATOM 535 CB ALA A 38 3.870 -6.698 -6.952 1.00 0.00 C ATOM 0 H ALA A 38 3.873 -4.836 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 38 4.443 -7.569 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.043 -7.609 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.818 -6.641 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.131 -5.832 -7.560 1.00 0.00 H new ATOM 541 N ARG A 39 6.963 -5.783 -5.963 1.00 0.00 N ATOM 542 CA ARG A 39 8.386 -5.813 -6.280 1.00 0.00 C ATOM 543 C ARG A 39 9.203 -6.122 -5.032 1.00 0.00 C ATOM 544 O ARG A 39 10.141 -6.918 -5.070 1.00 0.00 O ATOM 545 CB ARG A 39 8.836 -4.474 -6.874 1.00 0.00 C ATOM 546 CG ARG A 39 7.770 -3.778 -7.705 1.00 0.00 C ATOM 547 CD ARG A 39 8.383 -2.778 -8.671 1.00 0.00 C ATOM 548 NE ARG A 39 7.640 -2.703 -9.928 1.00 0.00 N ATOM 549 CZ ARG A 39 7.762 -3.587 -10.914 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.593 -4.616 -10.795 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.048 -3.445 -12.024 1.00 0.00 N ATOM 0 H ARG A 39 6.615 -4.871 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 39 8.552 -6.599 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.140 -3.812 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.716 -4.641 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.199 -4.521 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.069 -3.266 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.408 -1.793 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.416 -3.059 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 39 6.990 -1.927 -10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.142 -4.732 -9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.682 -5.290 -11.555 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.406 -2.658 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.141 -4.123 -12.781 1.00 0.00 H new ATOM 565 N GLU A 40 8.836 -5.483 -3.928 1.00 0.00 N ATOM 566 CA GLU A 40 9.527 -5.681 -2.661 1.00 0.00 C ATOM 567 C GLU A 40 9.186 -7.037 -2.054 1.00 0.00 C ATOM 568 O GLU A 40 9.967 -7.600 -1.287 1.00 0.00 O ATOM 569 CB GLU A 40 9.161 -4.563 -1.682 1.00 0.00 C ATOM 570 CG GLU A 40 10.279 -3.560 -1.458 1.00 0.00 C ATOM 571 CD GLU A 40 10.725 -2.882 -2.739 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.314 -3.336 -3.827 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.485 -1.894 -2.654 1.00 0.00 O ATOM 0 H GLU A 40 8.061 -4.821 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 40 10.600 -5.654 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.282 -4.037 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.884 -5.006 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.945 -2.803 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.131 -4.067 -1.005 1.00 0.00 H new ATOM 580 N PHE A 41 8.010 -7.557 -2.395 1.00 0.00 N ATOM 581 CA PHE A 41 7.566 -8.844 -1.874 1.00 0.00 C ATOM 582 C PHE A 41 7.236 -9.811 -3.007 1.00 0.00 C ATOM 583 O PHE A 41 7.491 -9.523 -4.176 1.00 0.00 O ATOM 584 CB PHE A 41 6.352 -8.648 -0.967 1.00 0.00 C ATOM 585 CG PHE A 41 6.599 -7.662 0.138 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.778 -6.316 -0.143 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.660 -8.080 1.456 1.00 0.00 C ATOM 588 CE1 PHE A 41 7.013 -5.409 0.873 1.00 0.00 C ATOM 589 CE2 PHE A 41 6.893 -7.178 2.475 1.00 0.00 C ATOM 590 CZ PHE A 41 7.070 -5.841 2.184 1.00 0.00 C ATOM 0 H PHE A 41 7.349 -7.107 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 41 8.378 -9.278 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.508 -8.309 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.070 -9.608 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.733 -5.973 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.524 -9.125 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.152 -4.363 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.937 -7.519 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.253 -5.134 2.979 1.00 0.00 H new ATOM 600 N ASN A 42 6.676 -10.964 -2.652 1.00 0.00 N ATOM 601 CA ASN A 42 6.324 -11.977 -3.642 1.00 0.00 C ATOM 602 C ASN A 42 4.811 -12.138 -3.764 1.00 0.00 C ATOM 603 O ASN A 42 4.294 -13.256 -3.754 1.00 0.00 O ATOM 604 CB ASN A 42 6.963 -13.319 -3.275 1.00 0.00 C ATOM 605 CG ASN A 42 8.465 -13.215 -3.100 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.001 -13.524 -2.035 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.155 -12.778 -4.147 1.00 0.00 N ATOM 0 H ASN A 42 6.457 -11.220 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 42 6.707 -11.645 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.517 -13.690 -2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.740 -14.049 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.169 -12.687 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.671 -12.533 -5.011 1.00 0.00 H new ATOM 614 N ILE A 43 4.104 -11.020 -3.891 1.00 0.00 N ATOM 615 CA ILE A 43 2.654 -11.050 -4.029 1.00 0.00 C ATOM 616 C ILE A 43 2.187 -10.066 -5.098 1.00 0.00 C ATOM 617 O ILE A 43 2.641 -8.923 -5.143 1.00 0.00 O ATOM 618 CB ILE A 43 1.948 -10.727 -2.699 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.520 -11.585 -1.571 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.448 -10.948 -2.830 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.532 -10.859 -0.715 1.00 0.00 C ATOM 0 H ILE A 43 4.511 -10.085 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 43 2.387 -12.064 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 43 2.123 -9.679 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.703 -11.931 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.988 -12.471 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.038 -10.716 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.051 -10.298 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.255 -11.988 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.896 -11.528 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.368 -10.536 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.063 -9.988 -0.257 1.00 0.00 H new ATOM 633 N PRO A 44 1.273 -10.501 -5.981 1.00 0.00 N ATOM 634 CA PRO A 44 0.747 -9.656 -7.057 1.00 0.00 C ATOM 635 C PRO A 44 -0.161 -8.545 -6.534 1.00 0.00 C ATOM 636 O PRO A 44 -0.549 -8.547 -5.367 1.00 0.00 O ATOM 637 CB PRO A 44 -0.043 -10.633 -7.928 1.00 0.00 C ATOM 638 CG PRO A 44 -0.430 -11.738 -7.007 1.00 0.00 C ATOM 639 CD PRO A 44 0.682 -11.852 -5.999 1.00 0.00 C ATOM 0 HA PRO A 44 1.543 -9.140 -7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.921 -10.155 -8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.562 -11.002 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.379 -11.522 -6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.558 -12.673 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.305 -12.138 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.413 -12.606 -6.292 1.00 0.00 H new ATOM 647 N PRO A 45 -0.510 -7.576 -7.397 1.00 0.00 N ATOM 648 CA PRO A 45 -1.374 -6.451 -7.015 1.00 0.00 C ATOM 649 C PRO A 45 -2.803 -6.885 -6.701 1.00 0.00 C ATOM 650 O PRO A 45 -3.544 -6.165 -6.031 1.00 0.00 O ATOM 651 CB PRO A 45 -1.348 -5.545 -8.248 1.00 0.00 C ATOM 652 CG PRO A 45 -1.005 -6.450 -9.380 1.00 0.00 C ATOM 653 CD PRO A 45 -0.090 -7.496 -8.807 1.00 0.00 C ATOM 0 HA PRO A 45 -1.023 -5.966 -6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.313 -5.064 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.610 -4.751 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.901 -6.904 -9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.516 -5.901 -10.185 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.204 -8.453 -9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.957 -7.209 -8.899 1.00 0.00 H new ATOM 661 N TYR A 46 -3.191 -8.061 -7.186 1.00 0.00 N ATOM 662 CA TYR A 46 -4.538 -8.573 -6.948 1.00 0.00 C ATOM 663 C TYR A 46 -4.578 -9.509 -5.739 1.00 0.00 C ATOM 664 O TYR A 46 -5.605 -10.127 -5.459 1.00 0.00 O ATOM 665 CB TYR A 46 -5.062 -9.297 -8.191 1.00 0.00 C ATOM 666 CG TYR A 46 -4.323 -10.576 -8.513 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.160 -10.555 -9.271 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.790 -11.803 -8.062 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.482 -11.723 -9.570 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.119 -12.975 -8.355 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.966 -12.929 -9.110 1.00 0.00 C ATOM 672 OH TYR A 46 -2.293 -14.093 -9.405 1.00 0.00 O ATOM 0 H TYR A 46 -2.596 -8.675 -7.743 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.182 -7.720 -6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.118 -9.526 -8.048 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.994 -8.625 -9.046 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.779 -9.612 -9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.694 -11.842 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.578 -11.690 -10.161 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.495 -13.921 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.765 -14.854 -9.006 1.00 0.00 H new ATOM 682 N LEU A 47 -3.461 -9.608 -5.022 1.00 0.00 N ATOM 683 CA LEU A 47 -3.383 -10.466 -3.843 1.00 0.00 C ATOM 684 C LEU A 47 -2.782 -9.721 -2.651 1.00 0.00 C ATOM 685 O LEU A 47 -2.565 -10.309 -1.592 1.00 0.00 O ATOM 686 CB LEU A 47 -2.546 -11.710 -4.143 1.00 0.00 C ATOM 687 CG LEU A 47 -3.186 -12.707 -5.110 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.240 -13.866 -5.383 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.507 -13.215 -4.551 1.00 0.00 C ATOM 0 H LEU A 47 -2.599 -9.106 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.399 -10.765 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.588 -11.393 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.336 -12.222 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.384 -12.197 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.712 -14.566 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.318 -13.487 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.011 -14.377 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.950 -13.924 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.332 -13.710 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.187 -12.376 -4.405 1.00 0.00 H new ATOM 701 N GLN A 48 -2.508 -8.430 -2.826 1.00 0.00 N ATOM 702 CA GLN A 48 -1.928 -7.627 -1.757 1.00 0.00 C ATOM 703 C GLN A 48 -2.937 -6.629 -1.201 1.00 0.00 C ATOM 704 O GLN A 48 -3.315 -5.671 -1.875 1.00 0.00 O ATOM 705 CB GLN A 48 -0.693 -6.881 -2.267 1.00 0.00 C ATOM 706 CG GLN A 48 0.474 -7.793 -2.601 1.00 0.00 C ATOM 707 CD GLN A 48 1.622 -7.057 -3.264 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.774 -7.178 -2.848 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.315 -6.288 -4.303 1.00 0.00 N ATOM 0 H GLN A 48 -2.678 -7.922 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.638 -8.304 -0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.964 -6.312 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.376 -6.161 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.832 -8.268 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.130 -8.590 -3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.347 -6.216 -4.616 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.048 -5.770 -4.788 1.00 0.00 H new ATOM 718 N CYS A 49 -3.349 -6.848 0.042 1.00 0.00 N ATOM 719 CA CYS A 49 -4.294 -5.956 0.701 1.00 0.00 C ATOM 720 C CYS A 49 -3.543 -5.038 1.659 1.00 0.00 C ATOM 721 O CYS A 49 -3.035 -5.484 2.688 1.00 0.00 O ATOM 722 CB CYS A 49 -5.361 -6.760 1.447 1.00 0.00 C ATOM 723 SG CYS A 49 -6.500 -5.756 2.430 1.00 0.00 S ATOM 0 H CYS A 49 -3.043 -7.636 0.613 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.797 -5.349 -0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.936 -7.337 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.866 -7.475 2.104 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.363 -6.530 3.019 1.00 0.00 H new ATOM 729 N ILE A 50 -3.455 -3.762 1.297 1.00 0.00 N ATOM 730 CA ILE A 50 -2.738 -2.778 2.103 1.00 0.00 C ATOM 731 C ILE A 50 -3.557 -2.304 3.299 1.00 0.00 C ATOM 732 O ILE A 50 -4.788 -2.298 3.264 1.00 0.00 O ATOM 733 CB ILE A 50 -2.341 -1.550 1.261 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.731 -1.990 -0.072 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.366 -0.672 2.031 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.406 -0.838 -0.997 1.00 0.00 C ATOM 0 H ILE A 50 -3.873 -3.383 0.447 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.843 -3.282 2.468 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.239 -0.968 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.820 -2.556 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.424 -2.665 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.095 0.191 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.834 -0.332 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.469 -1.245 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.977 -1.224 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.317 -0.284 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.689 -0.175 -0.514 1.00 0.00 H new ATOM 748 N ARG A 51 -2.854 -1.898 4.352 1.00 0.00 N ATOM 749 CA ARG A 51 -3.487 -1.407 5.567 1.00 0.00 C ATOM 750 C ARG A 51 -2.623 -0.334 6.224 1.00 0.00 C ATOM 751 O ARG A 51 -1.408 -0.490 6.339 1.00 0.00 O ATOM 752 CB ARG A 51 -3.719 -2.559 6.545 1.00 0.00 C ATOM 753 CG ARG A 51 -4.720 -3.587 6.045 1.00 0.00 C ATOM 754 CD ARG A 51 -5.654 -4.032 7.156 1.00 0.00 C ATOM 755 NE ARG A 51 -6.493 -5.157 6.752 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.108 -6.431 6.809 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.892 -6.746 7.240 1.00 0.00 N ATOM 758 NH2 ARG A 51 -6.940 -7.392 6.432 1.00 0.00 N ATOM 0 H ARG A 51 -1.835 -1.901 4.385 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.448 -0.968 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.769 -3.055 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.070 -2.154 7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.301 -3.163 5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.189 -4.451 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.068 -4.314 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.288 -3.196 7.453 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.431 -4.955 6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.247 -6.011 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.603 -7.723 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.875 -7.156 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.646 -8.368 6.475 1.00 0.00 H new ATOM 772 N TYR A 52 -3.254 0.756 6.651 1.00 0.00 N ATOM 773 CA TYR A 52 -2.532 1.851 7.290 1.00 0.00 C ATOM 774 C TYR A 52 -3.295 2.386 8.498 1.00 0.00 C ATOM 775 O TYR A 52 -4.478 2.100 8.676 1.00 0.00 O ATOM 776 CB TYR A 52 -2.286 2.980 6.286 1.00 0.00 C ATOM 777 CG TYR A 52 -3.546 3.695 5.852 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.468 3.072 5.018 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.815 4.990 6.276 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.621 3.722 4.619 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.965 5.645 5.882 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.865 5.008 5.054 1.00 0.00 C ATOM 783 OH TYR A 52 -7.012 5.658 4.658 1.00 0.00 O ATOM 0 H TYR A 52 -4.260 0.904 6.567 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.574 1.463 7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.602 3.704 6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.791 2.570 5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.280 2.065 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.113 5.493 6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.327 3.225 3.970 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.159 6.652 6.221 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.033 6.555 5.053 1.00 0.00 H new ATOM 793 N GLY A 53 -2.606 3.172 9.320 1.00 0.00 N ATOM 794 CA GLY A 53 -3.229 3.745 10.500 1.00 0.00 C ATOM 795 C GLY A 53 -3.588 2.705 11.541 1.00 0.00 C ATOM 796 O GLY A 53 -3.689 1.516 11.235 1.00 0.00 O ATOM 0 H GLY A 53 -1.626 3.423 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.553 4.476 10.943 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.130 4.282 10.204 1.00 0.00 H new ATOM 800 N PHE A 54 -3.782 3.155 12.777 1.00 0.00 N ATOM 801 CA PHE A 54 -4.135 2.262 13.874 1.00 0.00 C ATOM 802 C PHE A 54 -5.542 2.573 14.389 1.00 0.00 C ATOM 803 O PHE A 54 -5.802 3.682 14.855 1.00 0.00 O ATOM 804 CB PHE A 54 -3.123 2.401 15.013 1.00 0.00 C ATOM 805 CG PHE A 54 -3.018 1.174 15.876 1.00 0.00 C ATOM 806 CD1 PHE A 54 -2.923 -0.084 15.305 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.016 1.281 17.257 1.00 0.00 C ATOM 808 CE1 PHE A 54 -2.825 -1.214 16.095 1.00 0.00 C ATOM 809 CE2 PHE A 54 -2.920 0.156 18.053 1.00 0.00 C ATOM 810 CZ PHE A 54 -2.825 -1.094 17.471 1.00 0.00 C ATOM 0 H PHE A 54 -3.700 4.136 13.044 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.117 1.237 13.503 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.143 2.624 14.592 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.403 3.250 15.636 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.926 -0.183 14.230 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.090 2.255 17.717 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.749 -2.189 15.637 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.919 0.253 19.129 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.751 -1.975 18.091 1.00 0.00 H new ATOM 820 N PRO A 55 -6.478 1.604 14.313 1.00 0.00 N ATOM 821 CA PRO A 55 -6.219 0.265 13.764 1.00 0.00 C ATOM 822 C PRO A 55 -5.938 0.291 12.264 1.00 0.00 C ATOM 823 O PRO A 55 -6.139 1.310 11.602 1.00 0.00 O ATOM 824 CB PRO A 55 -7.515 -0.498 14.050 1.00 0.00 C ATOM 825 CG PRO A 55 -8.559 0.557 14.166 1.00 0.00 C ATOM 826 CD PRO A 55 -7.873 1.752 14.765 1.00 0.00 C ATOM 0 HA PRO A 55 -5.334 -0.188 14.210 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.747 -1.198 13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.437 -1.080 14.968 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.981 0.798 13.190 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.383 0.223 14.796 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.313 2.686 14.414 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.945 1.754 15.853 1.00 0.00 H new ATOM 834 N PRO A 56 -5.468 -0.838 11.707 1.00 0.00 N ATOM 835 CA PRO A 56 -5.157 -0.948 10.282 1.00 0.00 C ATOM 836 C PRO A 56 -6.406 -0.888 9.412 1.00 0.00 C ATOM 837 O PRO A 56 -7.349 -1.657 9.601 1.00 0.00 O ATOM 838 CB PRO A 56 -4.487 -2.319 10.162 1.00 0.00 C ATOM 839 CG PRO A 56 -4.998 -3.094 11.324 1.00 0.00 C ATOM 840 CD PRO A 56 -5.206 -2.095 12.428 1.00 0.00 C ATOM 0 HA PRO A 56 -4.530 -0.125 9.940 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.743 -2.803 9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.401 -2.232 10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.930 -3.601 11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.287 -3.864 11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.043 -2.373 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.328 -2.015 13.068 1.00 0.00 H new ATOM 848 N LYS A 57 -6.401 0.033 8.461 1.00 0.00 N ATOM 849 CA LYS A 57 -7.528 0.207 7.552 1.00 0.00 C ATOM 850 C LYS A 57 -7.378 -0.686 6.328 1.00 0.00 C ATOM 851 O LYS A 57 -6.371 -1.373 6.167 1.00 0.00 O ATOM 852 CB LYS A 57 -7.636 1.669 7.114 1.00 0.00 C ATOM 853 CG LYS A 57 -8.057 2.611 8.230 1.00 0.00 C ATOM 854 CD LYS A 57 -8.876 3.777 7.698 1.00 0.00 C ATOM 855 CE LYS A 57 -10.341 3.656 8.085 1.00 0.00 C ATOM 856 NZ LYS A 57 -11.246 4.025 6.961 1.00 0.00 N ATOM 0 H LYS A 57 -5.626 0.675 8.297 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.437 -0.077 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.673 1.993 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.355 1.743 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.641 2.063 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.172 2.990 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.473 4.712 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.788 3.818 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.550 2.633 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.544 4.300 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.236 3.929 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.065 5.009 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.070 3.395 6.153 1.00 0.00 H new ATOM 870 N GLU A 58 -8.386 -0.670 5.464 1.00 0.00 N ATOM 871 CA GLU A 58 -8.364 -1.476 4.250 1.00 0.00 C ATOM 872 C GLU A 58 -8.320 -0.588 3.011 1.00 0.00 C ATOM 873 O GLU A 58 -9.311 -0.461 2.294 1.00 0.00 O ATOM 874 CB GLU A 58 -9.590 -2.391 4.196 1.00 0.00 C ATOM 875 CG GLU A 58 -9.427 -3.568 3.248 1.00 0.00 C ATOM 876 CD GLU A 58 -10.666 -4.441 3.185 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.776 -3.912 3.397 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.524 -5.654 2.924 1.00 0.00 O ATOM 0 H GLU A 58 -9.229 -0.108 5.582 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.464 -2.091 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.797 -2.768 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.457 -1.806 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.197 -3.197 2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.577 -4.172 3.567 1.00 0.00 H new ATOM 885 N LEU A 59 -7.161 0.026 2.774 1.00 0.00 N ATOM 886 CA LEU A 59 -6.960 0.911 1.626 1.00 0.00 C ATOM 887 C LEU A 59 -7.543 0.306 0.352 1.00 0.00 C ATOM 888 O LEU A 59 -6.846 -0.366 -0.408 1.00 0.00 O ATOM 889 CB LEU A 59 -5.466 1.194 1.435 1.00 0.00 C ATOM 890 CG LEU A 59 -5.129 2.419 0.578 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.971 3.618 0.992 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.647 2.746 0.687 1.00 0.00 C ATOM 0 H LEU A 59 -6.339 -0.075 3.369 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.482 1.847 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.010 1.323 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.003 0.317 0.982 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.360 2.185 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.714 4.475 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.028 3.382 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.775 3.857 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.421 3.618 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.397 2.959 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.060 1.896 0.339 1.00 0.00 H new ATOM 904 N MET A 60 -8.827 0.551 0.131 1.00 0.00 N ATOM 905 CA MET A 60 -9.521 0.035 -1.042 1.00 0.00 C ATOM 906 C MET A 60 -9.089 0.777 -2.304 1.00 0.00 C ATOM 907 O MET A 60 -8.619 1.912 -2.236 1.00 0.00 O ATOM 908 CB MET A 60 -11.035 0.158 -0.855 1.00 0.00 C ATOM 909 CG MET A 60 -11.509 1.591 -0.676 1.00 0.00 C ATOM 910 SD MET A 60 -13.194 1.690 -0.043 1.00 0.00 S ATOM 911 CE MET A 60 -13.338 3.449 0.266 1.00 0.00 C ATOM 0 H MET A 60 -9.413 1.108 0.753 1.00 0.00 H new ATOM 0 HA MET A 60 -9.258 -1.017 -1.157 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.536 -0.277 -1.720 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.334 -0.427 0.015 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.837 2.109 0.008 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.453 2.110 -1.633 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.329 3.669 0.662 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.582 3.754 0.990 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.190 3.995 -0.665 1.00 0.00 H new ATOM 921 N PRO A 61 -9.244 0.141 -3.478 1.00 0.00 N ATOM 922 CA PRO A 61 -8.867 0.745 -4.758 1.00 0.00 C ATOM 923 C PRO A 61 -9.787 1.899 -5.149 1.00 0.00 C ATOM 924 O PRO A 61 -11.003 1.821 -4.970 1.00 0.00 O ATOM 925 CB PRO A 61 -9.001 -0.409 -5.754 1.00 0.00 C ATOM 926 CG PRO A 61 -9.988 -1.336 -5.133 1.00 0.00 C ATOM 927 CD PRO A 61 -9.797 -1.216 -3.646 1.00 0.00 C ATOM 0 HA PRO A 61 -7.867 1.178 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.348 -0.055 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.043 -0.903 -5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.006 -1.069 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.822 -2.361 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.738 -1.335 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.115 -1.977 -3.266 1.00 0.00 H new ATOM 935 N PRO A 62 -9.216 2.990 -5.687 1.00 0.00 N ATOM 936 CA PRO A 62 -9.992 4.163 -6.100 1.00 0.00 C ATOM 937 C PRO A 62 -10.859 3.888 -7.322 1.00 0.00 C ATOM 938 O PRO A 62 -10.987 2.746 -7.762 1.00 0.00 O ATOM 939 CB PRO A 62 -8.919 5.201 -6.435 1.00 0.00 C ATOM 940 CG PRO A 62 -7.713 4.402 -6.787 1.00 0.00 C ATOM 941 CD PRO A 62 -7.773 3.167 -5.934 1.00 0.00 C ATOM 0 HA PRO A 62 -10.687 4.481 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.229 5.836 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.725 5.857 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.710 4.145 -7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.801 4.966 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.344 2.305 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.219 3.294 -5.004 1.00 0.00 H new ATOM 949 N GLN A 63 -11.451 4.946 -7.866 1.00 0.00 N ATOM 950 CA GLN A 63 -12.307 4.824 -9.039 1.00 0.00 C ATOM 951 C GLN A 63 -12.059 5.972 -10.014 1.00 0.00 C ATOM 952 O GLN A 63 -11.065 6.690 -9.901 1.00 0.00 O ATOM 953 CB GLN A 63 -13.779 4.797 -8.622 1.00 0.00 C ATOM 954 CG GLN A 63 -14.578 3.683 -9.280 1.00 0.00 C ATOM 955 CD GLN A 63 -14.564 2.401 -8.472 1.00 0.00 C ATOM 956 OE1 GLN A 63 -14.977 2.379 -7.313 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.087 1.322 -9.082 1.00 0.00 N ATOM 0 H GLN A 63 -11.353 5.898 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.064 3.888 -9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.839 4.685 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.236 5.755 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.608 4.011 -9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.172 3.487 -10.273 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.755 1.385 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -14.053 0.430 -8.588 1.00 0.00 H new ATOM 966 N ALA A 64 -12.966 6.139 -10.971 1.00 0.00 N ATOM 967 CA ALA A 64 -12.844 7.199 -11.965 1.00 0.00 C ATOM 968 C ALA A 64 -12.744 8.569 -11.301 1.00 0.00 C ATOM 969 O ALA A 64 -13.758 9.193 -10.988 1.00 0.00 O ATOM 970 CB ALA A 64 -14.024 7.162 -12.923 1.00 0.00 C ATOM 0 H ALA A 64 -13.794 5.553 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.926 7.029 -12.528 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.920 7.959 -13.660 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.049 6.198 -13.432 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.950 7.302 -12.365 1.00 0.00 H new ATOM 976 N GLY A 65 -11.515 9.029 -11.087 1.00 0.00 N ATOM 977 CA GLY A 65 -11.305 10.321 -10.462 1.00 0.00 C ATOM 978 C GLY A 65 -10.276 10.266 -9.350 1.00 0.00 C ATOM 979 O GLY A 65 -9.599 11.256 -9.072 1.00 0.00 O ATOM 0 H GLY A 65 -10.661 8.529 -11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.982 11.038 -11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.251 10.685 -10.060 1.00 0.00 H new ATOM 983 N MET A 66 -10.159 9.107 -8.712 1.00 0.00 N ATOM 984 CA MET A 66 -9.206 8.924 -7.624 1.00 0.00 C ATOM 985 C MET A 66 -8.023 8.069 -8.069 1.00 0.00 C ATOM 986 O MET A 66 -6.921 8.191 -7.534 1.00 0.00 O ATOM 987 CB MET A 66 -9.891 8.278 -6.419 1.00 0.00 C ATOM 988 CG MET A 66 -10.588 9.275 -5.508 1.00 0.00 C ATOM 989 SD MET A 66 -10.960 8.590 -3.883 1.00 0.00 S ATOM 990 CE MET A 66 -11.516 10.057 -3.018 1.00 0.00 C ATOM 0 H MET A 66 -10.713 8.279 -8.930 1.00 0.00 H new ATOM 0 HA MET A 66 -8.832 9.907 -7.337 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.621 7.551 -6.774 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.148 7.728 -5.841 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.957 10.156 -5.391 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.514 9.606 -5.979 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.784 9.796 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.716 10.798 -3.006 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.387 10.471 -3.526 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.258 7.205 -9.052 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.209 6.330 -9.568 1.00 0.00 C ATOM 1002 C GLU A 67 -6.001 7.139 -10.028 1.00 0.00 C ATOM 1003 O GLU A 67 -4.867 6.662 -9.978 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.745 5.486 -10.726 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.307 6.311 -11.871 1.00 0.00 C ATOM 1006 CD GLU A 67 -9.023 5.461 -12.903 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -8.377 4.566 -13.487 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -10.231 5.691 -13.127 1.00 0.00 O ATOM 0 H GLU A 67 -9.164 7.092 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.893 5.669 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.943 4.853 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.524 4.823 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.999 7.054 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.496 6.856 -12.354 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.250 8.366 -10.474 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.181 9.241 -10.939 1.00 0.00 C ATOM 1017 C LYS A 68 -4.461 9.896 -9.762 1.00 0.00 C ATOM 1018 O LYS A 68 -3.304 10.297 -9.877 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.740 10.315 -11.874 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.961 11.032 -11.320 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.289 12.277 -12.128 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.084 13.281 -11.308 1.00 0.00 C ATOM 1023 NZ LYS A 68 -7.225 14.384 -10.798 1.00 0.00 N ATOM 0 H LYS A 68 -7.183 8.776 -10.523 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.462 8.633 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.960 11.049 -12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.001 9.855 -12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.816 10.356 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.782 11.308 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.365 12.740 -12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.859 11.997 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.884 13.697 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.557 12.771 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.804 15.047 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.476 13.990 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.794 14.887 -11.600 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.154 9.999 -8.630 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.576 10.604 -7.436 1.00 0.00 C ATOM 1039 C GLU A 69 -3.653 9.619 -6.721 1.00 0.00 C ATOM 1040 O GLU A 69 -3.876 8.410 -6.756 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.682 11.072 -6.487 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.722 12.581 -6.298 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.548 12.995 -4.850 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.332 12.523 -3.999 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -4.629 13.792 -4.567 1.00 0.00 O ATOM 0 H GLU A 69 -6.113 9.672 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.987 11.467 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.645 10.736 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.542 10.596 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.937 13.039 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.672 12.964 -6.669 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.596 10.128 -6.063 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.637 9.286 -5.342 1.00 0.00 C ATOM 1054 C PRO A 70 -2.231 8.671 -4.079 1.00 0.00 C ATOM 1055 O PRO A 70 -3.336 9.020 -3.664 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.511 10.258 -4.983 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.166 11.594 -4.935 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.255 11.560 -5.972 1.00 0.00 C ATOM 0 HA PRO A 70 -1.313 8.437 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.059 10.004 -4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.285 10.234 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.576 11.792 -3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.450 12.388 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.114 12.159 -5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.911 11.953 -6.929 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.486 7.751 -3.475 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.930 7.079 -2.260 1.00 0.00 C ATOM 1068 C VAL A 71 -1.951 8.037 -1.069 1.00 0.00 C ATOM 1069 O VAL A 71 -1.317 9.092 -1.099 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.026 5.876 -1.922 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.355 4.690 -2.818 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.442 6.255 -2.042 1.00 0.00 C ATOM 0 H VAL A 71 -0.569 7.453 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.943 6.724 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.216 5.585 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.707 3.851 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.396 4.401 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.198 4.967 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.062 5.392 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.652 6.577 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.666 7.068 -1.351 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.686 7.677 -0.001 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.793 8.504 1.211 1.00 0.00 C ATOM 1084 C PRO A 72 -1.527 8.474 2.064 1.00 0.00 C ATOM 1085 O PRO A 72 -1.461 9.117 3.112 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.946 7.847 1.970 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.881 6.419 1.562 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.476 6.434 0.116 1.00 0.00 C ATOM 0 HA PRO A 72 -2.947 9.556 0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.829 7.959 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.904 8.294 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.159 5.870 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.845 5.928 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.886 5.556 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.343 6.444 -0.545 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.534 7.713 1.623 1.00 0.00 N ATOM 1097 CA LEU A 73 0.719 7.584 2.357 1.00 0.00 C ATOM 1098 C LEU A 73 1.795 8.493 1.772 1.00 0.00 C ATOM 1099 O LEU A 73 1.731 8.874 0.603 1.00 0.00 O ATOM 1100 CB LEU A 73 1.179 6.125 2.337 1.00 0.00 C ATOM 1101 CG LEU A 73 0.044 5.099 2.248 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.586 3.722 1.907 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.743 5.060 3.549 1.00 0.00 C ATOM 0 H LEU A 73 -0.572 7.174 0.758 1.00 0.00 H new ATOM 0 HA LEU A 73 0.551 7.893 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.849 5.981 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.759 5.928 3.239 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.630 5.404 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.238 3.011 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.100 3.761 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.286 3.405 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.545 4.326 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.079 4.783 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.170 6.043 3.746 1.00 0.00 H new ATOM 1115 N GLN A 74 2.778 8.845 2.596 1.00 0.00 N ATOM 1116 CA GLN A 74 3.862 9.719 2.162 1.00 0.00 C ATOM 1117 C GLN A 74 5.205 9.261 2.723 1.00 0.00 C ATOM 1118 O GLN A 74 5.286 8.264 3.443 1.00 0.00 O ATOM 1119 CB GLN A 74 3.587 11.158 2.597 1.00 0.00 C ATOM 1120 CG GLN A 74 2.427 11.806 1.859 1.00 0.00 C ATOM 1121 CD GLN A 74 2.718 12.020 0.387 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.777 12.529 0.020 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.777 11.631 -0.465 1.00 0.00 N ATOM 0 H GLN A 74 2.846 8.539 3.567 1.00 0.00 H new ATOM 0 HA GLN A 74 3.911 9.671 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.379 11.172 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.486 11.754 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.540 11.180 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.197 12.765 2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.914 11.214 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.917 11.750 -1.468 1.00 0.00 H new ATOM 1132 N HIS A 75 6.254 10.001 2.384 1.00 0.00 N ATOM 1133 CA HIS A 75 7.604 9.688 2.842 1.00 0.00 C ATOM 1134 C HIS A 75 7.669 9.628 4.363 1.00 0.00 C ATOM 1135 O HIS A 75 7.587 10.653 5.040 1.00 0.00 O ATOM 1136 CB HIS A 75 8.590 10.737 2.321 1.00 0.00 C ATOM 1137 CG HIS A 75 10.018 10.289 2.344 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.550 9.507 3.350 1.00 0.00 N ATOM 1139 CD2 HIS A 75 11.031 10.518 1.474 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.826 9.277 3.097 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.142 9.877 1.965 1.00 0.00 N ATOM 0 H HIS A 75 6.195 10.828 1.789 1.00 0.00 H new ATOM 0 HA HIS A 75 7.875 8.708 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.318 11.001 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.493 11.642 2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.975 11.097 0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.497 8.696 3.712 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.062 9.866 1.526 1.00 0.00 H new ATOM 1150 N GLY A 76 7.822 8.421 4.895 1.00 0.00 N ATOM 1151 CA GLY A 76 7.904 8.249 6.334 1.00 0.00 C ATOM 1152 C GLY A 76 6.694 7.543 6.917 1.00 0.00 C ATOM 1153 O GLY A 76 6.560 7.439 8.136 1.00 0.00 O ATOM 0 H GLY A 76 7.891 7.558 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.801 7.679 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.010 9.226 6.806 1.00 0.00 H new ATOM 1157 N ASP A 77 5.808 7.055 6.051 1.00 0.00 N ATOM 1158 CA ASP A 77 4.610 6.359 6.505 1.00 0.00 C ATOM 1159 C ASP A 77 4.879 4.867 6.673 1.00 0.00 C ATOM 1160 O ASP A 77 6.016 4.411 6.551 1.00 0.00 O ATOM 1161 CB ASP A 77 3.463 6.578 5.515 1.00 0.00 C ATOM 1162 CG ASP A 77 2.469 7.612 6.004 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.882 8.763 6.256 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.274 7.271 6.136 1.00 0.00 O ATOM 0 H ASP A 77 5.898 7.129 5.038 1.00 0.00 H new ATOM 0 HA ASP A 77 4.326 6.768 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.870 6.895 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.947 5.633 5.346 1.00 0.00 H new ATOM 1169 N ARG A 78 3.822 4.111 6.948 1.00 0.00 N ATOM 1170 CA ARG A 78 3.933 2.668 7.127 1.00 0.00 C ATOM 1171 C ARG A 78 2.646 1.978 6.701 1.00 0.00 C ATOM 1172 O ARG A 78 1.563 2.556 6.792 1.00 0.00 O ATOM 1173 CB ARG A 78 4.253 2.333 8.586 1.00 0.00 C ATOM 1174 CG ARG A 78 3.320 3.002 9.583 1.00 0.00 C ATOM 1175 CD ARG A 78 4.023 4.114 10.346 1.00 0.00 C ATOM 1176 NE ARG A 78 5.058 3.597 11.237 1.00 0.00 N ATOM 1177 CZ ARG A 78 5.566 4.280 12.260 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.139 5.509 12.524 1.00 0.00 N ATOM 1179 NH2 ARG A 78 6.505 3.734 13.022 1.00 0.00 N ATOM 0 H ARG A 78 2.875 4.475 7.052 1.00 0.00 H new ATOM 0 HA ARG A 78 4.747 2.306 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.202 1.253 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.278 2.633 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.456 3.410 9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.944 2.259 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.470 4.813 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.291 4.674 10.928 1.00 0.00 H new ATOM 0 HE ARG A 78 5.413 2.656 11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.418 5.935 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.532 6.028 13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.838 2.790 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.894 4.258 13.806 1.00 0.00 H new ATOM 1193 N ILE A 79 2.769 0.746 6.221 1.00 0.00 N ATOM 1194 CA ILE A 79 1.606 -0.001 5.769 1.00 0.00 C ATOM 1195 C ILE A 79 1.762 -1.495 6.013 1.00 0.00 C ATOM 1196 O ILE A 79 2.865 -1.989 6.247 1.00 0.00 O ATOM 1197 CB ILE A 79 1.342 0.230 4.270 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.659 0.393 3.505 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.456 1.449 4.075 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.475 0.546 2.011 1.00 0.00 C ATOM 0 H ILE A 79 3.655 0.248 6.136 1.00 0.00 H new ATOM 0 HA ILE A 79 0.761 0.367 6.350 1.00 0.00 H new ATOM 0 HB ILE A 79 0.826 -0.644 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.187 1.266 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.292 -0.473 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.277 1.602 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.495 1.293 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.950 2.328 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.449 0.657 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.975 -0.337 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.869 1.429 1.808 1.00 0.00 H new ATOM 1212 N THR A 80 0.644 -2.207 5.943 1.00 0.00 N ATOM 1213 CA THR A 80 0.637 -3.649 6.142 1.00 0.00 C ATOM 1214 C THR A 80 -0.118 -4.334 5.011 1.00 0.00 C ATOM 1215 O THR A 80 -1.249 -3.968 4.693 1.00 0.00 O ATOM 1216 CB THR A 80 -0.002 -4.002 7.483 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.672 -3.354 8.547 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.002 -5.488 7.773 1.00 0.00 C ATOM 0 H THR A 80 -0.273 -1.806 5.749 1.00 0.00 H new ATOM 0 HA THR A 80 1.669 -4.000 6.143 1.00 0.00 H new ATOM 0 HB THR A 80 -1.036 -3.665 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.246 -3.592 9.397 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.466 -5.671 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.554 -6.012 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.029 -5.852 7.792 1.00 0.00 H new ATOM 1226 N ILE A 81 0.517 -5.326 4.404 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.090 -6.059 3.303 1.00 0.00 C ATOM 1228 C ILE A 81 -0.657 -7.394 3.770 1.00 0.00 C ATOM 1229 O ILE A 81 -0.204 -7.961 4.763 1.00 0.00 O ATOM 1230 CB ILE A 81 0.925 -6.320 2.175 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.685 -5.037 1.835 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.221 -6.869 0.945 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.784 -3.882 1.458 1.00 0.00 C ATOM 0 H ILE A 81 1.454 -5.642 4.656 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.900 -5.436 2.923 1.00 0.00 H new ATOM 0 HB ILE A 81 1.644 -7.064 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.294 -4.747 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.369 -5.237 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.952 -7.048 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.276 -7.805 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.518 -6.148 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.391 -3.006 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.193 -4.152 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.117 -3.654 2.290 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.644 -7.895 3.041 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.263 -9.171 3.372 1.00 0.00 C ATOM 1247 C GLU A 82 -2.448 -10.015 2.114 1.00 0.00 C ATOM 1248 O GLU A 82 -3.182 -9.635 1.202 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.610 -8.949 4.075 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.605 -10.086 3.886 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.894 -9.867 4.652 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.847 -9.846 5.899 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.951 -9.716 4.003 1.00 0.00 O ATOM 0 H GLU A 82 -2.033 -7.438 2.217 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.604 -9.708 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.432 -8.809 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.054 -8.026 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.831 -10.193 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.148 -11.021 4.211 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.777 -11.160 2.073 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.870 -12.053 0.928 1.00 0.00 C ATOM 1262 C ILE A 83 -3.282 -12.609 0.784 1.00 0.00 C ATOM 1263 O ILE A 83 -3.714 -13.447 1.576 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.873 -13.224 1.039 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.562 -12.697 1.132 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.024 -14.157 -0.156 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.158 -12.797 2.522 1.00 0.00 C ATOM 0 H ILE A 83 -1.164 -11.490 2.819 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.621 -11.464 0.046 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.091 -13.785 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.190 -13.253 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.578 -11.655 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.315 -14.980 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.039 -14.554 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.826 -13.606 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.175 -12.405 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.554 -12.217 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.175 -13.840 2.837 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.993 -12.138 -0.232 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.355 -12.589 -0.484 1.00 0.00 C ATOM 1281 C LEU A 84 -5.360 -13.993 -1.080 1.00 0.00 C ATOM 1282 O LEU A 84 -4.310 -14.527 -1.443 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.071 -11.619 -1.426 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.982 -10.145 -1.027 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.647 -9.267 -2.075 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.617 -9.922 0.339 1.00 0.00 C ATOM 0 H LEU A 84 -3.649 -11.444 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.885 -12.615 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.655 -11.735 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.122 -11.901 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.929 -9.869 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.574 -8.222 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.148 -9.404 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.697 -9.545 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.544 -8.868 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.666 -10.216 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.096 -10.522 1.085 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.544 -14.586 -1.178 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.684 -15.926 -1.730 1.00 0.00 C ATOM 1300 C LYS A 85 -7.033 -15.864 -3.212 1.00 0.00 C ATOM 1301 O LYS A 85 -8.194 -15.690 -3.583 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.761 -16.705 -0.971 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.610 -18.214 -1.078 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.483 -18.724 -0.194 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.229 -19.013 -1.002 1.00 0.00 C ATOM 1306 NZ LYS A 85 -3.991 -18.812 -0.197 1.00 0.00 N ATOM 0 H LYS A 85 -7.421 -14.158 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.730 -16.442 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.731 -16.419 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.741 -16.418 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.545 -18.696 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.414 -18.489 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.259 -17.985 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.803 -19.631 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.261 -20.039 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.203 -18.363 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.158 -19.019 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.947 -17.826 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.003 -19.450 0.624 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.018 -16.007 -4.053 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.228 -15.965 -5.488 1.00 0.00 C ATOM 1322 C GLY A 86 -7.137 -17.077 -5.975 1.00 0.00 C ATOM 1323 O GLY A 86 -8.042 -16.791 -6.787 1.00 0.00 O ATOM 1324 OXT GLY A 86 -6.942 -18.235 -5.547 1.00 0.00 O ATOM 0 H GLY A 86 -5.050 -16.152 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.659 -15.002 -5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.266 -16.038 -5.995 1.00 0.00 H new