USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -105:sc= 0.265 USER MOD Set 1.2: A 71 TYR OH : rot 30:sc= -1.16 USER MOD Set 2.1: A 23 THR OG1 : rot 118:sc= 0.00958 USER MOD Set 2.2: A 25 ASN : amide:sc= -1.32! K(o=-1.3!,f=-3.4) USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.136 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 152:sc= -3.39! (180deg=-5.1!) USER MOD Single : A 13 GLN : amide:sc= -0.678 K(o=-0.68,f=-1.3!) USER MOD Single : A 14 GLN : amide:sc= -5.48! C(o=-5.5!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.4!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.247! F(o=-1.4,f=-0.25!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -6:sc= 0.675 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -177:sc= -3.22! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.495 F(o=-1.3,f=-0.5) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.398 F(o=-1.3,f=-0.4) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -2.13 K(o=-2.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.550 -9.086 -11.329 1.00 0.00 N ATOM 2 CA SER A 1 -1.749 -10.342 -10.626 1.00 0.00 C ATOM 3 C SER A 1 -2.911 -10.211 -9.639 1.00 0.00 C ATOM 4 O SER A 1 -3.579 -9.179 -9.595 1.00 0.00 O ATOM 5 CB SER A 1 -0.476 -10.771 -9.893 1.00 0.00 C ATOM 6 OG SER A 1 0.522 -11.248 -10.791 1.00 0.00 O ATOM 0 H1 SER A 1 -1.520 -9.262 -12.353 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.334 -8.439 -11.112 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.653 -8.657 -11.026 1.00 0.00 H new ATOM 0 HA SER A 1 -1.989 -11.111 -11.361 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.081 -9.927 -9.328 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.718 -11.552 -9.172 1.00 0.00 H new ATOM 0 HG SER A 1 1.319 -11.510 -10.285 1.00 0.00 H new ATOM 12 N THR A 2 -3.116 -11.272 -8.872 1.00 0.00 N ATOM 13 CA THR A 2 -4.186 -11.288 -7.889 1.00 0.00 C ATOM 14 C THR A 2 -3.683 -10.759 -6.545 1.00 0.00 C ATOM 15 O THR A 2 -4.155 -11.183 -5.491 1.00 0.00 O ATOM 16 CB THR A 2 -4.737 -12.714 -7.813 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.585 -13.539 -7.964 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.609 -13.069 -9.019 1.00 0.00 C ATOM 0 H THR A 2 -2.560 -12.126 -8.911 1.00 0.00 H new ATOM 0 HA THR A 2 -5.000 -10.624 -8.180 1.00 0.00 H new ATOM 0 HB THR A 2 -5.317 -12.831 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.850 -14.482 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.974 -14.091 -8.916 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.456 -12.384 -9.070 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.019 -12.985 -9.932 1.00 0.00 H new ATOM 26 N ILE A 3 -2.732 -9.840 -6.625 1.00 0.00 N ATOM 27 CA ILE A 3 -2.160 -9.248 -5.428 1.00 0.00 C ATOM 28 C ILE A 3 -2.566 -7.775 -5.348 1.00 0.00 C ATOM 29 O ILE A 3 -3.024 -7.309 -4.306 1.00 0.00 O ATOM 30 CB ILE A 3 -0.647 -9.472 -5.390 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.160 -9.686 -3.956 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.094 -8.326 -6.082 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.205 -8.355 -3.296 1.00 0.00 C ATOM 0 H ILE A 3 -2.343 -9.491 -7.501 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.554 -9.736 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.422 -10.383 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.937 -10.183 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.708 -10.345 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.168 -8.510 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.224 -8.263 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.133 -7.388 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.548 -8.536 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.999 -7.872 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.671 -7.707 -3.274 1.00 0.00 H new ATOM 45 N GLU A 4 -2.383 -7.083 -6.463 1.00 0.00 N ATOM 46 CA GLU A 4 -2.724 -5.672 -6.533 1.00 0.00 C ATOM 47 C GLU A 4 -4.237 -5.485 -6.398 1.00 0.00 C ATOM 48 O GLU A 4 -4.704 -4.398 -6.059 1.00 0.00 O ATOM 49 CB GLU A 4 -2.208 -5.046 -7.830 1.00 0.00 C ATOM 50 CG GLU A 4 -2.996 -5.559 -9.037 1.00 0.00 C ATOM 51 CD GLU A 4 -3.741 -4.416 -9.730 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.591 -3.763 -9.107 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.410 -4.216 -10.961 1.00 0.00 O ATOM 0 H GLU A 4 -2.003 -7.473 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.238 -5.159 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.290 -3.961 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.151 -5.279 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.317 -6.036 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.707 -6.320 -8.715 1.00 0.00 H new ATOM 61 N GLU A 5 -4.961 -6.561 -6.669 1.00 0.00 N ATOM 62 CA GLU A 5 -6.411 -6.529 -6.583 1.00 0.00 C ATOM 63 C GLU A 5 -6.854 -6.461 -5.120 1.00 0.00 C ATOM 64 O GLU A 5 -7.946 -5.982 -4.819 1.00 0.00 O ATOM 65 CB GLU A 5 -7.029 -7.738 -7.287 1.00 0.00 C ATOM 66 CG GLU A 5 -6.459 -9.046 -6.734 1.00 0.00 C ATOM 67 CD GLU A 5 -7.267 -10.248 -7.227 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.732 -10.253 -8.376 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.403 -11.202 -6.369 1.00 0.00 O ATOM 0 H GLU A 5 -4.570 -7.461 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.766 -5.633 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.111 -7.725 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.836 -7.677 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.419 -9.152 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.469 -9.019 -5.644 1.00 0.00 H new ATOM 77 N ARG A 6 -5.982 -6.947 -4.248 1.00 0.00 N ATOM 78 CA ARG A 6 -6.270 -6.947 -2.823 1.00 0.00 C ATOM 79 C ARG A 6 -5.477 -5.842 -2.122 1.00 0.00 C ATOM 80 O ARG A 6 -5.841 -5.411 -1.028 1.00 0.00 O ATOM 81 CB ARG A 6 -5.920 -8.296 -2.191 1.00 0.00 C ATOM 82 CG ARG A 6 -6.763 -9.420 -2.797 1.00 0.00 C ATOM 83 CD ARG A 6 -5.929 -10.689 -2.988 1.00 0.00 C ATOM 84 NE ARG A 6 -5.447 -11.180 -1.678 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.244 -11.730 -0.737 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.570 -11.862 -0.953 1.00 0.00 N ATOM 87 NH2 ARG A 6 -5.707 -12.135 0.399 1.00 0.00 N ATOM 0 H ARG A 6 -5.077 -7.343 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.338 -6.767 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.862 -8.509 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.086 -8.252 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.612 -9.633 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.168 -9.099 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.528 -11.458 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.082 -10.482 -3.642 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.451 -11.098 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.977 -11.545 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.164 -12.279 -0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.704 -12.030 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.295 -12.553 1.121 1.00 0.00 H new ATOM 100 N VAL A 7 -4.409 -5.415 -2.779 1.00 0.00 N ATOM 101 CA VAL A 7 -3.563 -4.369 -2.232 1.00 0.00 C ATOM 102 C VAL A 7 -4.373 -3.077 -2.106 1.00 0.00 C ATOM 103 O VAL A 7 -4.258 -2.363 -1.111 1.00 0.00 O ATOM 104 CB VAL A 7 -2.309 -4.206 -3.093 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.512 -2.970 -2.674 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.439 -5.464 -3.039 1.00 0.00 C ATOM 0 H VAL A 7 -4.110 -5.775 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.222 -4.638 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.629 -4.064 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.626 -2.878 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.132 -2.081 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.209 -3.069 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.554 -5.321 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.134 -5.651 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.008 -6.316 -3.409 1.00 0.00 H new ATOM 116 N LYS A 8 -5.174 -2.817 -3.128 1.00 0.00 N ATOM 117 CA LYS A 8 -6.004 -1.624 -3.144 1.00 0.00 C ATOM 118 C LYS A 8 -6.813 -1.553 -1.848 1.00 0.00 C ATOM 119 O LYS A 8 -7.000 -0.475 -1.286 1.00 0.00 O ATOM 120 CB LYS A 8 -6.863 -1.586 -4.409 1.00 0.00 C ATOM 121 CG LYS A 8 -6.306 -0.582 -5.421 1.00 0.00 C ATOM 122 CD LYS A 8 -5.369 -1.270 -6.416 1.00 0.00 C ATOM 123 CE LYS A 8 -6.069 -1.505 -7.756 1.00 0.00 C ATOM 124 NZ LYS A 8 -7.039 -2.617 -7.646 1.00 0.00 N ATOM 0 H LYS A 8 -5.266 -3.412 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.383 -0.729 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.899 -2.578 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.887 -1.316 -4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.127 -0.107 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.769 0.208 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.481 -0.657 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.033 -2.222 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.583 -0.596 -8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.330 -1.734 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.505 -2.763 -8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.540 -3.486 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.754 -2.384 -6.928 1.00 0.00 H new ATOM 137 N LYS A 9 -7.273 -2.717 -1.411 1.00 0.00 N ATOM 138 CA LYS A 9 -8.058 -2.801 -0.191 1.00 0.00 C ATOM 139 C LYS A 9 -7.224 -2.288 0.984 1.00 0.00 C ATOM 140 O LYS A 9 -7.684 -1.450 1.758 1.00 0.00 O ATOM 141 CB LYS A 9 -8.591 -4.221 0.006 1.00 0.00 C ATOM 142 CG LYS A 9 -9.980 -4.378 -0.616 1.00 0.00 C ATOM 143 CD LYS A 9 -10.589 -5.737 -0.266 1.00 0.00 C ATOM 144 CE LYS A 9 -9.938 -6.856 -1.082 1.00 0.00 C ATOM 145 NZ LYS A 9 -8.599 -7.180 -0.542 1.00 0.00 N ATOM 0 H LYS A 9 -7.117 -3.609 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.938 -2.162 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.904 -4.937 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.637 -4.451 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.633 -3.581 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.911 -4.275 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.459 -5.935 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.662 -5.719 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.570 -7.744 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.852 -6.551 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.373 -8.174 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.888 -6.565 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.594 -7.029 0.487 1.00 0.00 H new ATOM 158 N ILE A 10 -6.011 -2.813 1.081 1.00 0.00 N ATOM 159 CA ILE A 10 -5.109 -2.419 2.149 1.00 0.00 C ATOM 160 C ILE A 10 -5.056 -0.892 2.229 1.00 0.00 C ATOM 161 O ILE A 10 -5.271 -0.315 3.294 1.00 0.00 O ATOM 162 CB ILE A 10 -3.738 -3.073 1.961 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.803 -4.575 2.248 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.675 -2.373 2.810 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.590 -5.298 1.659 1.00 0.00 C ATOM 0 H ILE A 10 -5.632 -3.508 0.437 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.478 -2.776 3.110 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.445 -2.957 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.843 -4.742 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.718 -4.990 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.711 -2.858 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.606 -1.326 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.950 -2.436 3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.660 -6.364 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.566 -5.149 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.678 -4.897 2.100 1.00 0.00 H new ATOM 177 N ILE A 11 -4.768 -0.282 1.089 1.00 0.00 N ATOM 178 CA ILE A 11 -4.685 1.167 1.017 1.00 0.00 C ATOM 179 C ILE A 11 -6.089 1.762 1.139 1.00 0.00 C ATOM 180 O ILE A 11 -6.250 2.897 1.585 1.00 0.00 O ATOM 181 CB ILE A 11 -3.943 1.598 -0.250 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.599 0.877 -0.371 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.784 3.119 -0.301 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.751 1.083 0.886 1.00 0.00 C ATOM 0 H ILE A 11 -4.589 -0.764 0.208 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.100 1.557 1.850 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.543 1.307 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.767 -0.188 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.060 1.249 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.254 3.399 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.768 3.588 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.217 3.455 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.801 0.560 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.565 2.147 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.282 0.688 1.752 1.00 0.00 H new ATOM 196 N GLY A 12 -7.070 0.968 0.737 1.00 0.00 N ATOM 197 CA GLY A 12 -8.456 1.401 0.796 1.00 0.00 C ATOM 198 C GLY A 12 -8.969 1.401 2.237 1.00 0.00 C ATOM 199 O GLY A 12 -9.899 2.135 2.569 1.00 0.00 O ATOM 0 H GLY A 12 -6.933 0.027 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.546 2.402 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.073 0.741 0.186 1.00 0.00 H new ATOM 203 N GLN A 13 -8.341 0.570 3.055 1.00 0.00 N ATOM 204 CA GLN A 13 -8.723 0.465 4.453 1.00 0.00 C ATOM 205 C GLN A 13 -7.697 1.177 5.338 1.00 0.00 C ATOM 206 O GLN A 13 -8.048 2.079 6.098 1.00 0.00 O ATOM 207 CB GLN A 13 -8.884 -0.999 4.869 1.00 0.00 C ATOM 208 CG GLN A 13 -10.351 -1.330 5.151 1.00 0.00 C ATOM 209 CD GLN A 13 -10.930 -0.394 6.214 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.516 0.634 5.920 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.734 -0.807 7.463 1.00 0.00 N ATOM 0 H GLN A 13 -7.570 -0.037 2.777 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.688 0.954 4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.506 -1.649 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.285 -1.196 5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.930 -1.244 4.232 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.436 -2.364 5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.235 -1.679 7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.083 -0.252 8.244 1.00 0.00 H new ATOM 220 N GLN A 14 -6.452 0.744 5.211 1.00 0.00 N ATOM 221 CA GLN A 14 -5.373 1.329 5.990 1.00 0.00 C ATOM 222 C GLN A 14 -5.520 2.851 6.041 1.00 0.00 C ATOM 223 O GLN A 14 -5.739 3.421 7.109 1.00 0.00 O ATOM 224 CB GLN A 14 -4.009 0.928 5.425 1.00 0.00 C ATOM 225 CG GLN A 14 -3.712 -0.547 5.704 1.00 0.00 C ATOM 226 CD GLN A 14 -3.925 -0.879 7.182 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.042 -0.734 8.011 1.00 0.00 O ATOM 228 NE2 GLN A 14 -5.143 -1.332 7.464 1.00 0.00 N ATOM 0 H GLN A 14 -6.166 -0.005 4.581 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.435 0.943 7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.989 1.110 4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.231 1.549 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.358 -1.174 5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.684 -0.775 5.421 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.836 -1.429 6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.385 -1.582 8.423 1.00 0.00 H new ATOM 237 N LEU A 15 -5.395 3.465 4.874 1.00 0.00 N ATOM 238 CA LEU A 15 -5.511 4.910 4.772 1.00 0.00 C ATOM 239 C LEU A 15 -6.927 5.332 5.166 1.00 0.00 C ATOM 240 O LEU A 15 -7.144 6.463 5.599 1.00 0.00 O ATOM 241 CB LEU A 15 -5.092 5.384 3.379 1.00 0.00 C ATOM 242 CG LEU A 15 -3.714 4.923 2.900 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.091 5.951 1.953 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.799 4.606 4.084 1.00 0.00 C ATOM 0 H LEU A 15 -5.214 2.988 3.991 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.828 5.398 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.837 5.042 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.113 6.474 3.366 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.840 3.999 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.112 5.599 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.736 6.084 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.980 6.903 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.826 4.281 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.675 5.499 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.243 3.812 4.685 1.00 0.00 H new ATOM 256 N GLY A 16 -7.855 4.401 5.002 1.00 0.00 N ATOM 257 CA GLY A 16 -9.245 4.663 5.335 1.00 0.00 C ATOM 258 C GLY A 16 -9.926 5.486 4.239 1.00 0.00 C ATOM 259 O GLY A 16 -10.392 6.596 4.492 1.00 0.00 O ATOM 0 H GLY A 16 -7.672 3.464 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.775 3.720 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.301 5.197 6.284 1.00 0.00 H new ATOM 263 N VAL A 17 -9.961 4.910 3.047 1.00 0.00 N ATOM 264 CA VAL A 17 -10.577 5.577 1.912 1.00 0.00 C ATOM 265 C VAL A 17 -11.601 4.640 1.269 1.00 0.00 C ATOM 266 O VAL A 17 -11.874 3.560 1.792 1.00 0.00 O ATOM 267 CB VAL A 17 -9.499 6.046 0.933 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.531 7.020 1.608 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.749 4.856 0.331 1.00 0.00 C ATOM 0 H VAL A 17 -9.573 3.989 2.842 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.112 6.469 2.238 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.994 6.576 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.775 7.338 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.081 7.891 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.047 6.526 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.989 5.218 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.272 4.285 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.451 4.216 -0.203 1.00 0.00 H new ATOM 279 N LYS A 18 -12.142 5.087 0.145 1.00 0.00 N ATOM 280 CA LYS A 18 -13.130 4.302 -0.574 1.00 0.00 C ATOM 281 C LYS A 18 -12.416 3.290 -1.472 1.00 0.00 C ATOM 282 O LYS A 18 -11.187 3.245 -1.508 1.00 0.00 O ATOM 283 CB LYS A 18 -14.097 5.217 -1.327 1.00 0.00 C ATOM 284 CG LYS A 18 -15.003 5.977 -0.356 1.00 0.00 C ATOM 285 CD LYS A 18 -14.312 7.239 0.165 1.00 0.00 C ATOM 286 CE LYS A 18 -15.278 8.092 0.990 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.682 9.415 1.281 1.00 0.00 N ATOM 0 H LYS A 18 -11.914 5.983 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.744 3.732 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.534 5.926 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.706 4.625 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.933 6.247 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.268 5.331 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.453 6.962 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.931 7.822 -0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.214 8.220 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.518 7.581 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.350 9.981 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.801 9.288 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.476 9.907 0.388 1.00 0.00 H new ATOM 300 N GLN A 19 -13.216 2.502 -2.175 1.00 0.00 N ATOM 301 CA GLN A 19 -12.676 1.493 -3.071 1.00 0.00 C ATOM 302 C GLN A 19 -12.705 1.996 -4.515 1.00 0.00 C ATOM 303 O GLN A 19 -12.083 1.403 -5.395 1.00 0.00 O ATOM 304 CB GLN A 19 -13.439 0.174 -2.935 1.00 0.00 C ATOM 305 CG GLN A 19 -14.709 0.184 -3.787 1.00 0.00 C ATOM 306 CD GLN A 19 -15.843 -0.570 -3.090 1.00 0.00 C ATOM 307 OE1 GLN A 19 -15.955 -0.590 -1.875 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.676 -1.187 -3.924 1.00 0.00 N ATOM 0 H GLN A 19 -14.235 2.542 -2.142 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.639 1.305 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.799 -0.654 -3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.699 0.007 -1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.015 1.213 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.505 -0.273 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.525 -1.130 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.466 -1.717 -3.556 1.00 0.00 H new ATOM 317 N GLU A 20 -13.432 3.085 -4.715 1.00 0.00 N ATOM 318 CA GLU A 20 -13.550 3.675 -6.038 1.00 0.00 C ATOM 319 C GLU A 20 -12.574 4.844 -6.187 1.00 0.00 C ATOM 320 O GLU A 20 -12.168 5.180 -7.298 1.00 0.00 O ATOM 321 CB GLU A 20 -14.987 4.122 -6.313 1.00 0.00 C ATOM 322 CG GLU A 20 -15.385 5.282 -5.399 1.00 0.00 C ATOM 323 CD GLU A 20 -16.546 4.885 -4.484 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.465 3.863 -3.787 1.00 0.00 O ATOM 325 OE2 GLU A 20 -17.559 5.683 -4.513 1.00 0.00 O ATOM 0 H GLU A 20 -13.946 3.575 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.293 2.916 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.084 4.426 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.668 3.284 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.529 5.585 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.671 6.144 -6.002 1.00 0.00 H new ATOM 333 N GLU A 21 -12.226 5.431 -5.051 1.00 0.00 N ATOM 334 CA GLU A 21 -11.305 6.555 -5.041 1.00 0.00 C ATOM 335 C GLU A 21 -9.860 6.057 -4.977 1.00 0.00 C ATOM 336 O GLU A 21 -8.932 6.851 -4.831 1.00 0.00 O ATOM 337 CB GLU A 21 -11.611 7.503 -3.880 1.00 0.00 C ATOM 338 CG GLU A 21 -12.974 8.173 -4.063 1.00 0.00 C ATOM 339 CD GLU A 21 -12.855 9.695 -3.971 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.224 10.405 -4.918 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.358 10.137 -2.865 1.00 0.00 O ATOM 0 H GLU A 21 -12.565 5.149 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.434 7.114 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.597 6.950 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.834 8.264 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.392 7.895 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.665 7.812 -3.301 1.00 0.00 H new ATOM 349 N VAL A 22 -9.715 4.745 -5.089 1.00 0.00 N ATOM 350 CA VAL A 22 -8.398 4.131 -5.045 1.00 0.00 C ATOM 351 C VAL A 22 -8.092 3.493 -6.401 1.00 0.00 C ATOM 352 O VAL A 22 -8.949 2.837 -6.990 1.00 0.00 O ATOM 353 CB VAL A 22 -8.323 3.136 -3.885 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.132 2.189 -4.052 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.261 3.863 -2.541 1.00 0.00 C ATOM 0 H VAL A 22 -10.487 4.090 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.632 4.884 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.233 2.536 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.101 1.492 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.237 1.633 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.208 2.767 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.208 3.132 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.377 4.500 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.154 4.476 -2.417 1.00 0.00 H new ATOM 365 N THR A 23 -6.867 3.709 -6.858 1.00 0.00 N ATOM 366 CA THR A 23 -6.437 3.163 -8.134 1.00 0.00 C ATOM 367 C THR A 23 -4.973 2.724 -8.061 1.00 0.00 C ATOM 368 O THR A 23 -4.306 2.943 -7.051 1.00 0.00 O ATOM 369 CB THR A 23 -6.702 4.216 -9.212 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.913 5.332 -8.809 1.00 0.00 O ATOM 371 CG2 THR A 23 -8.138 4.743 -9.175 1.00 0.00 C ATOM 0 H THR A 23 -6.159 4.255 -6.367 1.00 0.00 H new ATOM 0 HA THR A 23 -7.000 2.265 -8.390 1.00 0.00 H new ATOM 0 HB THR A 23 -6.497 3.789 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.242 5.524 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.273 5.487 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.833 3.918 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.333 5.200 -8.205 1.00 0.00 H new ATOM 379 N ASN A 24 -4.517 2.113 -9.144 1.00 0.00 N ATOM 380 CA ASN A 24 -3.145 1.641 -9.215 1.00 0.00 C ATOM 381 C ASN A 24 -2.269 2.726 -9.845 1.00 0.00 C ATOM 382 O ASN A 24 -1.870 2.612 -11.003 1.00 0.00 O ATOM 383 CB ASN A 24 -3.038 0.385 -10.082 1.00 0.00 C ATOM 384 CG ASN A 24 -3.807 0.557 -11.394 1.00 0.00 C ATOM 385 OD1 ASN A 24 -5.019 0.010 -11.386 1.00 0.00 O flip ATOM 386 ND2 ASN A 24 -3.330 1.148 -12.349 1.00 0.00 N flip ATOM 0 H ASN A 24 -5.073 1.934 -9.980 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.816 1.409 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.990 0.174 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.431 -0.473 -9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.392 1.544 -12.287 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.869 1.246 -13.209 1.00 0.00 H new ATOM 393 N ASN A 25 -1.996 3.754 -9.055 1.00 0.00 N ATOM 394 CA ASN A 25 -1.175 4.859 -9.521 1.00 0.00 C ATOM 395 C ASN A 25 -1.387 6.067 -8.607 1.00 0.00 C ATOM 396 O ASN A 25 -0.492 6.895 -8.449 1.00 0.00 O ATOM 397 CB ASN A 25 -1.560 5.269 -10.944 1.00 0.00 C ATOM 398 CG ASN A 25 -3.080 5.303 -11.113 1.00 0.00 C ATOM 399 OD1 ASN A 25 -3.760 6.212 -10.666 1.00 0.00 O ATOM 400 ND2 ASN A 25 -3.573 4.264 -11.781 1.00 0.00 N ATOM 0 H ASN A 25 -2.329 3.845 -8.095 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.134 4.535 -9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.144 6.251 -11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.127 4.568 -11.658 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.577 4.194 -11.946 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.947 3.537 -12.128 1.00 0.00 H new ATOM 407 N ALA A 26 -2.578 6.130 -8.029 1.00 0.00 N ATOM 408 CA ALA A 26 -2.919 7.223 -7.135 1.00 0.00 C ATOM 409 C ALA A 26 -1.831 7.362 -6.067 1.00 0.00 C ATOM 410 O ALA A 26 -1.188 6.380 -5.700 1.00 0.00 O ATOM 411 CB ALA A 26 -4.302 6.975 -6.529 1.00 0.00 C ATOM 0 H ALA A 26 -3.319 5.442 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.967 8.165 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.558 7.795 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.043 6.914 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.292 6.039 -5.970 1.00 0.00 H new ATOM 417 N SER A 27 -1.659 8.590 -5.600 1.00 0.00 N ATOM 418 CA SER A 27 -0.661 8.869 -4.582 1.00 0.00 C ATOM 419 C SER A 27 -1.334 9.436 -3.330 1.00 0.00 C ATOM 420 O SER A 27 -1.315 10.645 -3.105 1.00 0.00 O ATOM 421 CB SER A 27 0.398 9.844 -5.103 1.00 0.00 C ATOM 422 OG SER A 27 0.415 9.903 -6.526 1.00 0.00 O ATOM 0 H SER A 27 -2.194 9.402 -5.908 1.00 0.00 H new ATOM 0 HA SER A 27 -0.162 7.934 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.204 10.839 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.380 9.540 -4.741 1.00 0.00 H new ATOM 0 HG SER A 27 1.103 10.537 -6.819 1.00 0.00 H new ATOM 428 N PHE A 28 -1.912 8.536 -2.549 1.00 0.00 N ATOM 429 CA PHE A 28 -2.589 8.931 -1.326 1.00 0.00 C ATOM 430 C PHE A 28 -1.790 9.999 -0.577 1.00 0.00 C ATOM 431 O PHE A 28 -2.367 10.896 0.035 1.00 0.00 O ATOM 432 CB PHE A 28 -2.695 7.681 -0.449 1.00 0.00 C ATOM 433 CG PHE A 28 -1.474 6.763 -0.525 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.341 7.080 0.157 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.522 5.629 -1.275 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.792 6.227 0.087 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.388 4.776 -1.345 1.00 0.00 C ATOM 438 CZ PHE A 28 0.745 5.093 -0.663 1.00 0.00 C ATOM 0 H PHE A 28 -1.925 7.534 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.569 9.347 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.842 7.988 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.580 7.117 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.303 7.981 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.422 5.377 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.691 6.479 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.426 3.876 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.607 4.445 -0.717 1.00 0.00 H new ATOM 448 N VAL A 29 -0.473 9.866 -0.649 1.00 0.00 N ATOM 449 CA VAL A 29 0.411 10.808 0.015 1.00 0.00 C ATOM 450 C VAL A 29 -0.177 12.216 -0.092 1.00 0.00 C ATOM 451 O VAL A 29 -0.796 12.708 0.851 1.00 0.00 O ATOM 452 CB VAL A 29 1.821 10.704 -0.570 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.666 9.697 0.213 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.773 10.341 -2.056 1.00 0.00 C ATOM 0 H VAL A 29 0.002 9.120 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 29 0.494 10.570 1.075 1.00 0.00 H new ATOM 0 HB VAL A 29 2.294 11.682 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.663 9.642 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.742 10.016 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.196 8.715 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.788 10.273 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.272 9.381 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.225 11.110 -2.601 1.00 0.00 H new ATOM 464 N GLU A 30 0.036 12.826 -1.249 1.00 0.00 N ATOM 465 CA GLU A 30 -0.466 14.168 -1.491 1.00 0.00 C ATOM 466 C GLU A 30 -1.807 14.109 -2.226 1.00 0.00 C ATOM 467 O GLU A 30 -2.728 14.857 -1.903 1.00 0.00 O ATOM 468 CB GLU A 30 0.552 15.001 -2.274 1.00 0.00 C ATOM 469 CG GLU A 30 0.271 16.497 -2.120 1.00 0.00 C ATOM 470 CD GLU A 30 -0.658 16.997 -3.228 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.880 17.069 -3.027 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.070 17.319 -4.329 1.00 0.00 O ATOM 0 H GLU A 30 0.549 12.416 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.623 14.655 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.559 14.778 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.517 14.727 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.182 16.687 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.209 17.052 -2.149 1.00 0.00 H new ATOM 480 N ASP A 31 -1.873 13.212 -3.199 1.00 0.00 N ATOM 481 CA ASP A 31 -3.086 13.045 -3.981 1.00 0.00 C ATOM 482 C ASP A 31 -4.301 13.141 -3.057 1.00 0.00 C ATOM 483 O ASP A 31 -5.158 14.004 -3.239 1.00 0.00 O ATOM 484 CB ASP A 31 -3.117 11.676 -4.664 1.00 0.00 C ATOM 485 CG ASP A 31 -4.098 11.558 -5.832 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.987 12.404 -6.007 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.919 10.532 -6.593 1.00 0.00 O ATOM 0 H ASP A 31 -1.106 12.593 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.108 13.827 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.115 11.445 -5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.369 10.921 -3.919 1.00 0.00 H new ATOM 493 N LEU A 32 -4.337 12.242 -2.085 1.00 0.00 N ATOM 494 CA LEU A 32 -5.433 12.214 -1.131 1.00 0.00 C ATOM 495 C LEU A 32 -4.979 12.856 0.181 1.00 0.00 C ATOM 496 O LEU A 32 -4.800 14.071 0.252 1.00 0.00 O ATOM 497 CB LEU A 32 -5.964 10.788 -0.966 1.00 0.00 C ATOM 498 CG LEU A 32 -6.583 10.154 -2.214 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.663 9.080 -2.797 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.982 9.610 -1.915 1.00 0.00 C ATOM 0 H LEU A 32 -3.625 11.527 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.273 12.802 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.145 10.153 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.713 10.790 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.694 10.929 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.127 8.646 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.708 9.528 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.498 8.300 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.400 9.165 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.919 8.853 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.625 10.424 -1.581 1.00 0.00 H new ATOM 512 N GLY A 33 -4.806 12.012 1.187 1.00 0.00 N ATOM 513 CA GLY A 33 -4.376 12.483 2.493 1.00 0.00 C ATOM 514 C GLY A 33 -3.757 11.346 3.309 1.00 0.00 C ATOM 515 O GLY A 33 -4.418 10.763 4.168 1.00 0.00 O ATOM 0 H GLY A 33 -4.956 11.005 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.649 13.287 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.227 12.901 3.031 1.00 0.00 H new ATOM 519 N ALA A 34 -2.497 11.066 3.013 1.00 0.00 N ATOM 520 CA ALA A 34 -1.782 10.009 3.708 1.00 0.00 C ATOM 521 C ALA A 34 -0.918 10.624 4.811 1.00 0.00 C ATOM 522 O ALA A 34 0.297 10.430 4.834 1.00 0.00 O ATOM 523 CB ALA A 34 -0.957 9.203 2.703 1.00 0.00 C ATOM 0 H ALA A 34 -1.952 11.553 2.301 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.482 9.320 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.421 8.410 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.620 8.763 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.242 9.861 2.209 1.00 0.00 H new ATOM 529 N ASP A 35 -1.578 11.354 5.698 1.00 0.00 N ATOM 530 CA ASP A 35 -0.886 11.999 6.800 1.00 0.00 C ATOM 531 C ASP A 35 -1.381 11.409 8.123 1.00 0.00 C ATOM 532 O ASP A 35 -1.216 12.018 9.178 1.00 0.00 O ATOM 533 CB ASP A 35 -1.163 13.503 6.821 1.00 0.00 C ATOM 534 CG ASP A 35 -0.041 14.375 6.253 1.00 0.00 C ATOM 535 OD1 ASP A 35 1.122 13.951 6.177 1.00 0.00 O ATOM 536 OD2 ASP A 35 -0.405 15.553 5.873 1.00 0.00 O ATOM 0 H ASP A 35 -2.585 11.513 5.676 1.00 0.00 H new ATOM 0 HA ASP A 35 0.183 11.831 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.075 13.697 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.354 13.808 7.850 1.00 0.00 H new ATOM 542 N SER A 36 -1.977 10.231 8.022 1.00 0.00 N ATOM 543 CA SER A 36 -2.498 9.552 9.196 1.00 0.00 C ATOM 544 C SER A 36 -2.626 8.053 8.920 1.00 0.00 C ATOM 545 O SER A 36 -3.592 7.613 8.298 1.00 0.00 O ATOM 546 CB SER A 36 -3.850 10.133 9.615 1.00 0.00 C ATOM 547 OG SER A 36 -3.983 10.208 11.031 1.00 0.00 O ATOM 0 H SER A 36 -2.111 9.729 7.144 1.00 0.00 H new ATOM 0 HA SER A 36 -1.798 9.705 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.965 11.129 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.651 9.516 9.208 1.00 0.00 H new ATOM 0 HG SER A 36 -4.858 10.586 11.258 1.00 0.00 H new ATOM 553 N LEU A 37 -1.639 7.308 9.397 1.00 0.00 N ATOM 554 CA LEU A 37 -1.631 5.868 9.210 1.00 0.00 C ATOM 555 C LEU A 37 -1.325 5.550 7.744 1.00 0.00 C ATOM 556 O LEU A 37 -1.805 4.552 7.209 1.00 0.00 O ATOM 557 CB LEU A 37 -2.939 5.254 9.712 1.00 0.00 C ATOM 558 CG LEU A 37 -3.575 5.932 10.927 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.009 6.368 10.623 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.499 5.031 12.161 1.00 0.00 C ATOM 0 H LEU A 37 -0.839 7.676 9.913 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.842 5.411 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.660 5.266 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.755 4.208 9.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.005 6.834 11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.438 6.847 11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.007 7.073 9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.606 5.496 10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.958 5.537 13.010 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.029 4.099 11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.456 4.814 12.389 1.00 0.00 H new ATOM 572 N ASP A 38 -0.530 6.419 7.137 1.00 0.00 N ATOM 573 CA ASP A 38 -0.155 6.244 5.744 1.00 0.00 C ATOM 574 C ASP A 38 0.900 5.141 5.639 1.00 0.00 C ATOM 575 O ASP A 38 0.576 3.994 5.334 1.00 0.00 O ATOM 576 CB ASP A 38 0.445 7.528 5.170 1.00 0.00 C ATOM 577 CG ASP A 38 1.203 8.395 6.177 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.365 8.766 5.953 1.00 0.00 O ATOM 579 OD2 ASP A 38 0.544 8.692 7.245 1.00 0.00 O ATOM 0 H ASP A 38 -0.135 7.246 7.584 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.053 5.983 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.123 7.263 4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.358 8.122 4.733 1.00 0.00 H new ATOM 585 N THR A 39 2.141 5.526 5.898 1.00 0.00 N ATOM 586 CA THR A 39 3.245 4.584 5.836 1.00 0.00 C ATOM 587 C THR A 39 3.443 3.904 7.193 1.00 0.00 C ATOM 588 O THR A 39 4.503 3.343 7.461 1.00 0.00 O ATOM 589 CB THR A 39 4.484 5.339 5.350 1.00 0.00 C ATOM 590 OG1 THR A 39 5.568 4.472 5.671 1.00 0.00 O ATOM 591 CG2 THR A 39 4.760 6.601 6.169 1.00 0.00 C ATOM 0 H THR A 39 2.406 6.478 6.151 1.00 0.00 H new ATOM 0 HA THR A 39 3.038 3.779 5.131 1.00 0.00 H new ATOM 0 HB THR A 39 4.356 5.608 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.233 3.705 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.649 7.098 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.907 7.275 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.921 6.330 7.212 1.00 0.00 H new ATOM 599 N VAL A 40 2.404 3.977 8.012 1.00 0.00 N ATOM 600 CA VAL A 40 2.449 3.375 9.333 1.00 0.00 C ATOM 601 C VAL A 40 1.539 2.146 9.361 1.00 0.00 C ATOM 602 O VAL A 40 1.915 1.102 9.891 1.00 0.00 O ATOM 603 CB VAL A 40 2.083 4.415 10.395 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.937 3.764 11.772 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.110 5.548 10.430 1.00 0.00 C ATOM 0 H VAL A 40 1.526 4.444 7.786 1.00 0.00 H new ATOM 0 HA VAL A 40 3.459 3.036 9.564 1.00 0.00 H new ATOM 0 HB VAL A 40 1.119 4.846 10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.677 4.524 12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.151 3.010 11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.879 3.294 12.054 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.826 6.273 11.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.093 5.141 10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.143 6.039 9.457 1.00 0.00 H new ATOM 615 N GLU A 41 0.358 2.311 8.784 1.00 0.00 N ATOM 616 CA GLU A 41 -0.610 1.228 8.735 1.00 0.00 C ATOM 617 C GLU A 41 -0.312 0.302 7.554 1.00 0.00 C ATOM 618 O GLU A 41 -0.381 -0.919 7.685 1.00 0.00 O ATOM 619 CB GLU A 41 -2.038 1.771 8.660 1.00 0.00 C ATOM 620 CG GLU A 41 -2.842 1.376 9.900 1.00 0.00 C ATOM 621 CD GLU A 41 -4.342 1.558 9.662 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.784 2.662 9.311 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.057 0.502 9.855 1.00 0.00 O ATOM 0 H GLU A 41 0.049 3.179 8.346 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.525 0.650 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.013 2.857 8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.530 1.387 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.634 0.337 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.529 1.983 10.749 1.00 0.00 H new ATOM 631 N LEU A 42 0.012 0.919 6.427 1.00 0.00 N ATOM 632 CA LEU A 42 0.321 0.166 5.224 1.00 0.00 C ATOM 633 C LEU A 42 1.306 -0.953 5.566 1.00 0.00 C ATOM 634 O LEU A 42 1.195 -2.063 5.048 1.00 0.00 O ATOM 635 CB LEU A 42 0.813 1.101 4.118 1.00 0.00 C ATOM 636 CG LEU A 42 1.374 0.423 2.866 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.551 1.431 1.729 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.674 -0.320 3.181 1.00 0.00 C ATOM 0 H LEU A 42 0.067 1.932 6.322 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.578 -0.309 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.015 1.744 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.585 1.748 4.534 1.00 0.00 H new ATOM 0 HG LEU A 42 0.652 -0.320 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.951 0.923 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.586 1.875 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.242 2.214 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.052 -0.793 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.414 0.386 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.483 -1.083 3.936 1.00 0.00 H new ATOM 650 N VAL A 43 2.248 -0.623 6.438 1.00 0.00 N ATOM 651 CA VAL A 43 3.253 -1.586 6.855 1.00 0.00 C ATOM 652 C VAL A 43 2.559 -2.829 7.417 1.00 0.00 C ATOM 653 O VAL A 43 2.628 -3.904 6.824 1.00 0.00 O ATOM 654 CB VAL A 43 4.217 -0.938 7.851 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.381 -1.876 8.176 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.725 0.406 7.327 1.00 0.00 C ATOM 0 H VAL A 43 2.336 0.298 6.867 1.00 0.00 H new ATOM 0 HA VAL A 43 3.853 -1.905 6.003 1.00 0.00 H new ATOM 0 HB VAL A 43 3.669 -0.751 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.051 -1.392 8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.995 -2.797 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.927 -2.108 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.408 0.845 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.248 0.254 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.881 1.078 7.170 1.00 0.00 H new ATOM 666 N MET A 44 1.905 -2.639 8.554 1.00 0.00 N ATOM 667 CA MET A 44 1.199 -3.731 9.202 1.00 0.00 C ATOM 668 C MET A 44 0.406 -4.553 8.183 1.00 0.00 C ATOM 669 O MET A 44 0.572 -5.768 8.096 1.00 0.00 O ATOM 670 CB MET A 44 0.245 -3.168 10.257 1.00 0.00 C ATOM 671 CG MET A 44 1.018 -2.486 11.387 1.00 0.00 C ATOM 672 SD MET A 44 2.032 -3.682 12.241 1.00 0.00 S ATOM 673 CE MET A 44 3.313 -2.609 12.870 1.00 0.00 C ATOM 0 H MET A 44 1.849 -1.745 9.043 1.00 0.00 H new ATOM 0 HA MET A 44 1.933 -4.383 9.675 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.435 -2.453 9.793 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.368 -3.972 10.664 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.643 -1.690 10.982 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.322 -2.021 12.086 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.037 -3.198 13.433 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.816 -2.116 12.038 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.870 -1.857 13.523 1.00 0.00 H new ATOM 683 N ALA A 45 -0.439 -3.856 7.438 1.00 0.00 N ATOM 684 CA ALA A 45 -1.258 -4.506 6.429 1.00 0.00 C ATOM 685 C ALA A 45 -0.354 -5.262 5.453 1.00 0.00 C ATOM 686 O ALA A 45 -0.347 -6.492 5.434 1.00 0.00 O ATOM 687 CB ALA A 45 -2.128 -3.461 5.727 1.00 0.00 C ATOM 0 H ALA A 45 -0.574 -2.848 7.513 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.928 -5.233 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.742 -3.948 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.772 -2.973 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.490 -2.716 5.252 1.00 0.00 H new ATOM 693 N LEU A 46 0.388 -4.494 4.668 1.00 0.00 N ATOM 694 CA LEU A 46 1.294 -5.076 3.692 1.00 0.00 C ATOM 695 C LEU A 46 2.145 -6.151 4.371 1.00 0.00 C ATOM 696 O LEU A 46 2.659 -7.051 3.709 1.00 0.00 O ATOM 697 CB LEU A 46 2.115 -3.984 3.005 1.00 0.00 C ATOM 698 CG LEU A 46 1.337 -3.034 2.091 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.284 -2.259 1.173 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.265 -3.789 1.303 1.00 0.00 C ATOM 0 H LEU A 46 0.380 -3.474 4.688 1.00 0.00 H new ATOM 0 HA LEU A 46 0.733 -5.568 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.611 -3.392 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.898 -4.462 2.417 1.00 0.00 H new ATOM 0 HG LEU A 46 0.823 -2.302 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.706 -1.591 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.978 -1.673 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.844 -2.959 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.274 -3.092 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.737 -4.556 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.434 -4.258 1.996 1.00 0.00 H new ATOM 712 N GLU A 47 2.269 -6.021 5.684 1.00 0.00 N ATOM 713 CA GLU A 47 3.049 -6.969 6.460 1.00 0.00 C ATOM 714 C GLU A 47 2.245 -8.249 6.699 1.00 0.00 C ATOM 715 O GLU A 47 2.720 -9.347 6.412 1.00 0.00 O ATOM 716 CB GLU A 47 3.503 -6.352 7.784 1.00 0.00 C ATOM 717 CG GLU A 47 4.840 -5.625 7.621 1.00 0.00 C ATOM 718 CD GLU A 47 5.972 -6.401 8.297 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.512 -7.349 7.707 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.288 -5.987 9.477 1.00 0.00 O ATOM 0 H GLU A 47 1.842 -5.273 6.230 1.00 0.00 H new ATOM 0 HA GLU A 47 3.943 -7.225 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.747 -5.654 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.599 -7.132 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.063 -5.499 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.770 -4.627 8.053 1.00 0.00 H new ATOM 728 N GLU A 48 1.042 -8.065 7.221 1.00 0.00 N ATOM 729 CA GLU A 48 0.167 -9.191 7.501 1.00 0.00 C ATOM 730 C GLU A 48 -0.119 -9.973 6.218 1.00 0.00 C ATOM 731 O GLU A 48 -0.251 -11.196 6.248 1.00 0.00 O ATOM 732 CB GLU A 48 -1.132 -8.725 8.161 1.00 0.00 C ATOM 733 CG GLU A 48 -1.245 -9.260 9.590 1.00 0.00 C ATOM 734 CD GLU A 48 -2.254 -10.408 9.668 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.215 -10.442 8.885 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.012 -11.286 10.581 1.00 0.00 O ATOM 0 H GLU A 48 0.652 -7.153 7.458 1.00 0.00 H new ATOM 0 HA GLU A 48 0.674 -9.854 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.167 -7.636 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.985 -9.065 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.269 -9.605 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.551 -8.456 10.260 1.00 0.00 H new ATOM 744 N GLU A 49 -0.206 -9.236 5.121 1.00 0.00 N ATOM 745 CA GLU A 49 -0.475 -9.845 3.829 1.00 0.00 C ATOM 746 C GLU A 49 0.482 -11.014 3.585 1.00 0.00 C ATOM 747 O GLU A 49 0.073 -12.063 3.091 1.00 0.00 O ATOM 748 CB GLU A 49 -0.377 -8.812 2.705 1.00 0.00 C ATOM 749 CG GLU A 49 -0.986 -9.353 1.409 1.00 0.00 C ATOM 750 CD GLU A 49 -1.696 -8.243 0.632 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.923 -8.296 0.457 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.928 -7.299 0.204 1.00 0.00 O ATOM 0 H GLU A 49 -0.095 -8.222 5.100 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.495 -10.230 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.893 -7.898 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.667 -8.549 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.203 -9.791 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.693 -10.150 1.640 1.00 0.00 H new ATOM 760 N PHE A 50 1.739 -10.793 3.942 1.00 0.00 N ATOM 761 CA PHE A 50 2.757 -11.815 3.767 1.00 0.00 C ATOM 762 C PHE A 50 3.818 -11.724 4.866 1.00 0.00 C ATOM 763 O PHE A 50 3.849 -12.553 5.774 1.00 0.00 O ATOM 764 CB PHE A 50 3.420 -11.559 2.412 1.00 0.00 C ATOM 765 CG PHE A 50 2.922 -12.476 1.293 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.709 -12.251 0.719 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.691 -13.516 0.873 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.247 -13.102 -0.319 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.228 -14.366 -0.166 1.00 0.00 C ATOM 770 CZ PHE A 50 2.016 -14.142 -0.740 1.00 0.00 C ATOM 0 H PHE A 50 2.075 -9.921 4.351 1.00 0.00 H new ATOM 0 HA PHE A 50 2.304 -12.805 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.245 -10.523 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.498 -11.683 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.098 -11.425 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.653 -13.695 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.284 -12.924 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.839 -15.191 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.664 -14.789 -1.530 1.00 0.00 H new ATOM 780 N ASP A 51 4.663 -10.710 4.746 1.00 0.00 N ATOM 781 CA ASP A 51 5.723 -10.501 5.718 1.00 0.00 C ATOM 782 C ASP A 51 6.804 -9.611 5.102 1.00 0.00 C ATOM 783 O ASP A 51 7.666 -10.092 4.368 1.00 0.00 O ATOM 784 CB ASP A 51 6.373 -11.827 6.118 1.00 0.00 C ATOM 785 CG ASP A 51 6.095 -12.276 7.554 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.298 -13.196 7.792 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.744 -11.631 8.463 1.00 0.00 O ATOM 0 H ASP A 51 4.635 -10.025 3.991 1.00 0.00 H new ATOM 0 HA ASP A 51 5.285 -10.034 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.027 -12.604 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.451 -11.741 5.982 1.00 0.00 H new ATOM 793 N THR A 52 6.724 -8.328 5.425 1.00 0.00 N ATOM 794 CA THR A 52 7.685 -7.366 4.912 1.00 0.00 C ATOM 795 C THR A 52 7.492 -6.008 5.589 1.00 0.00 C ATOM 796 O THR A 52 6.681 -5.198 5.143 1.00 0.00 O ATOM 797 CB THR A 52 7.536 -7.314 3.390 1.00 0.00 C ATOM 798 OG1 THR A 52 8.598 -6.463 2.967 1.00 0.00 O ATOM 799 CG2 THR A 52 6.270 -6.576 2.951 1.00 0.00 C ATOM 0 H THR A 52 6.009 -7.933 6.035 1.00 0.00 H new ATOM 0 HA THR A 52 8.707 -7.666 5.142 1.00 0.00 H new ATOM 0 HB THR A 52 7.521 -8.328 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.235 -5.589 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.213 -6.568 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.394 -7.083 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.300 -5.551 3.320 1.00 0.00 H new ATOM 807 N GLU A 53 8.252 -5.800 6.654 1.00 0.00 N ATOM 808 CA GLU A 53 8.175 -4.553 7.397 1.00 0.00 C ATOM 809 C GLU A 53 8.651 -3.387 6.528 1.00 0.00 C ATOM 810 O GLU A 53 9.719 -2.825 6.768 1.00 0.00 O ATOM 811 CB GLU A 53 8.983 -4.636 8.693 1.00 0.00 C ATOM 812 CG GLU A 53 10.407 -5.125 8.422 1.00 0.00 C ATOM 813 CD GLU A 53 11.439 -4.129 8.954 1.00 0.00 C ATOM 814 OE1 GLU A 53 11.674 -4.071 10.170 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.007 -3.400 8.054 1.00 0.00 O ATOM 0 H GLU A 53 8.924 -6.474 7.020 1.00 0.00 H new ATOM 0 HA GLU A 53 7.134 -4.378 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.016 -3.656 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.489 -5.312 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.558 -6.096 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.550 -5.265 7.350 1.00 0.00 H new ATOM 823 N ILE A 54 7.837 -3.059 5.536 1.00 0.00 N ATOM 824 CA ILE A 54 8.162 -1.970 4.630 1.00 0.00 C ATOM 825 C ILE A 54 8.648 -0.766 5.440 1.00 0.00 C ATOM 826 O ILE A 54 7.846 -0.059 6.048 1.00 0.00 O ATOM 827 CB ILE A 54 6.973 -1.659 3.718 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.196 -0.352 2.954 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.664 -1.645 4.510 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.656 -0.212 2.521 1.00 0.00 C ATOM 0 H ILE A 54 6.953 -3.528 5.339 1.00 0.00 H new ATOM 0 HA ILE A 54 8.977 -2.257 3.966 1.00 0.00 H new ATOM 0 HB ILE A 54 6.892 -2.455 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.549 -0.324 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.917 0.493 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.835 -1.422 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.506 -2.621 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.717 -0.883 5.287 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.787 0.725 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.299 -0.216 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.925 -1.046 1.872 1.00 0.00 H new ATOM 842 N PRO A 55 9.993 -0.565 5.420 1.00 0.00 N ATOM 843 CA PRO A 55 10.595 0.541 6.145 1.00 0.00 C ATOM 844 C PRO A 55 10.351 1.867 5.422 1.00 0.00 C ATOM 845 O PRO A 55 10.339 1.915 4.193 1.00 0.00 O ATOM 846 CB PRO A 55 12.068 0.185 6.252 1.00 0.00 C ATOM 847 CG PRO A 55 12.321 -0.871 5.188 1.00 0.00 C ATOM 848 CD PRO A 55 10.972 -1.383 4.710 1.00 0.00 C ATOM 0 HA PRO A 55 10.160 0.682 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.694 1.062 6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.306 -0.196 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.885 -0.448 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.917 -1.688 5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.868 -1.277 3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.846 -2.441 4.940 1.00 0.00 H new ATOM 856 N ASP A 56 10.163 2.911 6.216 1.00 0.00 N ATOM 857 CA ASP A 56 9.921 4.234 5.668 1.00 0.00 C ATOM 858 C ASP A 56 10.922 4.507 4.543 1.00 0.00 C ATOM 859 O ASP A 56 10.564 5.076 3.513 1.00 0.00 O ATOM 860 CB ASP A 56 10.103 5.315 6.735 1.00 0.00 C ATOM 861 CG ASP A 56 9.244 6.566 6.542 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.253 6.777 7.258 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.632 7.354 5.597 1.00 0.00 O ATOM 0 H ASP A 56 10.173 2.867 7.235 1.00 0.00 H new ATOM 0 HA ASP A 56 8.896 4.262 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.876 4.884 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.152 5.612 6.754 1.00 0.00 H new ATOM 869 N GLU A 57 12.156 4.088 4.779 1.00 0.00 N ATOM 870 CA GLU A 57 13.212 4.280 3.799 1.00 0.00 C ATOM 871 C GLU A 57 12.795 3.694 2.448 1.00 0.00 C ATOM 872 O GLU A 57 13.050 4.291 1.404 1.00 0.00 O ATOM 873 CB GLU A 57 14.527 3.664 4.281 1.00 0.00 C ATOM 874 CG GLU A 57 14.973 4.291 5.604 1.00 0.00 C ATOM 875 CD GLU A 57 15.674 5.630 5.367 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.391 6.310 4.369 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.541 5.958 6.264 1.00 0.00 O ATOM 0 H GLU A 57 12.449 3.616 5.635 1.00 0.00 H new ATOM 0 HA GLU A 57 13.375 5.351 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.404 2.588 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.300 3.810 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.108 4.439 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.647 3.610 6.124 1.00 0.00 H new ATOM 885 N GLU A 58 12.161 2.533 2.514 1.00 0.00 N ATOM 886 CA GLU A 58 11.706 1.859 1.309 1.00 0.00 C ATOM 887 C GLU A 58 10.232 2.175 1.049 1.00 0.00 C ATOM 888 O GLU A 58 9.695 1.829 -0.003 1.00 0.00 O ATOM 889 CB GLU A 58 11.935 0.350 1.405 1.00 0.00 C ATOM 890 CG GLU A 58 13.025 -0.102 0.431 1.00 0.00 C ATOM 891 CD GLU A 58 13.445 -1.547 0.711 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.886 -2.481 0.116 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.388 -1.682 1.580 1.00 0.00 O ATOM 0 H GLU A 58 11.951 2.041 3.383 1.00 0.00 H new ATOM 0 HA GLU A 58 12.291 2.228 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.220 0.086 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.006 -0.177 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.661 -0.017 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.890 0.555 0.517 1.00 0.00 H new ATOM 901 N ALA A 59 9.618 2.828 2.025 1.00 0.00 N ATOM 902 CA ALA A 59 8.216 3.194 1.914 1.00 0.00 C ATOM 903 C ALA A 59 8.095 4.501 1.128 1.00 0.00 C ATOM 904 O ALA A 59 6.994 4.914 0.769 1.00 0.00 O ATOM 905 CB ALA A 59 7.604 3.297 3.313 1.00 0.00 C ATOM 0 H ALA A 59 10.066 3.113 2.896 1.00 0.00 H new ATOM 0 HA ALA A 59 7.661 2.429 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.552 3.572 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.690 2.335 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.134 4.057 3.887 1.00 0.00 H new ATOM 911 N GLU A 60 9.243 5.115 0.882 1.00 0.00 N ATOM 912 CA GLU A 60 9.280 6.367 0.145 1.00 0.00 C ATOM 913 C GLU A 60 9.104 6.106 -1.352 1.00 0.00 C ATOM 914 O GLU A 60 8.780 7.018 -2.111 1.00 0.00 O ATOM 915 CB GLU A 60 10.578 7.128 0.420 1.00 0.00 C ATOM 916 CG GLU A 60 10.460 8.590 -0.015 1.00 0.00 C ATOM 917 CD GLU A 60 11.830 9.167 -0.377 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.421 8.770 -1.393 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.278 10.060 0.438 1.00 0.00 O ATOM 0 H GLU A 60 10.155 4.769 1.180 1.00 0.00 H new ATOM 0 HA GLU A 60 8.454 6.991 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.814 7.079 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.402 6.652 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.792 8.665 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.015 9.177 0.788 1.00 0.00 H new ATOM 927 N LYS A 61 9.326 4.856 -1.733 1.00 0.00 N ATOM 928 CA LYS A 61 9.196 4.463 -3.126 1.00 0.00 C ATOM 929 C LYS A 61 7.788 3.916 -3.368 1.00 0.00 C ATOM 930 O LYS A 61 7.382 3.722 -4.512 1.00 0.00 O ATOM 931 CB LYS A 61 10.310 3.489 -3.514 1.00 0.00 C ATOM 932 CG LYS A 61 11.507 4.233 -4.108 1.00 0.00 C ATOM 933 CD LYS A 61 12.169 3.412 -5.216 1.00 0.00 C ATOM 934 CE LYS A 61 11.291 3.372 -6.468 1.00 0.00 C ATOM 935 NZ LYS A 61 12.101 3.639 -7.678 1.00 0.00 N ATOM 0 H LYS A 61 9.595 4.102 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 61 9.319 5.327 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.627 2.925 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.931 2.767 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.181 5.193 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.234 4.444 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.140 3.842 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.351 2.397 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.812 2.397 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.495 4.112 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.490 3.608 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.538 4.579 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.845 2.917 -7.764 1.00 0.00 H new ATOM 948 N ILE A 62 7.082 3.682 -2.271 1.00 0.00 N ATOM 949 CA ILE A 62 5.728 3.161 -2.350 1.00 0.00 C ATOM 950 C ILE A 62 4.734 4.295 -2.094 1.00 0.00 C ATOM 951 O ILE A 62 3.560 4.047 -1.823 1.00 0.00 O ATOM 952 CB ILE A 62 5.557 1.969 -1.406 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.208 2.435 0.009 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.797 1.073 -1.424 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.854 1.248 0.906 1.00 0.00 C ATOM 0 H ILE A 62 7.422 3.844 -1.323 1.00 0.00 H new ATOM 0 HA ILE A 62 5.525 2.778 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 62 4.720 1.369 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.051 2.978 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.368 3.129 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.649 0.234 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.960 0.698 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.666 1.648 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.610 1.607 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.995 0.721 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.704 0.568 0.962 1.00 0.00 H new ATOM 967 N THR A 63 5.240 5.516 -2.190 1.00 0.00 N ATOM 968 CA THR A 63 4.411 6.689 -1.972 1.00 0.00 C ATOM 969 C THR A 63 3.004 6.457 -2.526 1.00 0.00 C ATOM 970 O THR A 63 2.029 6.988 -1.996 1.00 0.00 O ATOM 971 CB THR A 63 5.120 7.892 -2.598 1.00 0.00 C ATOM 972 OG1 THR A 63 4.094 8.872 -2.725 1.00 0.00 O ATOM 973 CG2 THR A 63 5.562 7.626 -4.039 1.00 0.00 C ATOM 0 H THR A 63 6.214 5.718 -2.416 1.00 0.00 H new ATOM 0 HA THR A 63 4.279 6.889 -0.909 1.00 0.00 H new ATOM 0 HB THR A 63 5.989 8.156 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.456 9.669 -3.165 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.059 8.511 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.252 6.782 -4.058 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.690 7.395 -4.650 1.00 0.00 H new ATOM 981 N THR A 64 2.942 5.664 -3.585 1.00 0.00 N ATOM 982 CA THR A 64 1.670 5.356 -4.217 1.00 0.00 C ATOM 983 C THR A 64 1.262 3.913 -3.917 1.00 0.00 C ATOM 984 O THR A 64 2.078 3.116 -3.455 1.00 0.00 O ATOM 985 CB THR A 64 1.801 5.652 -5.712 1.00 0.00 C ATOM 986 OG1 THR A 64 3.135 5.264 -6.028 1.00 0.00 O ATOM 987 CG2 THR A 64 1.767 7.151 -6.017 1.00 0.00 C ATOM 0 H THR A 64 3.752 5.225 -4.022 1.00 0.00 H new ATOM 0 HA THR A 64 0.869 5.977 -3.817 1.00 0.00 H new ATOM 0 HB THR A 64 0.996 5.153 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.304 5.421 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.864 7.306 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.822 7.571 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.592 7.646 -5.504 1.00 0.00 H new ATOM 995 N VAL A 65 0.000 3.619 -4.191 1.00 0.00 N ATOM 996 CA VAL A 65 -0.527 2.285 -3.957 1.00 0.00 C ATOM 997 C VAL A 65 0.144 1.301 -4.916 1.00 0.00 C ATOM 998 O VAL A 65 0.644 0.259 -4.493 1.00 0.00 O ATOM 999 CB VAL A 65 -2.052 2.296 -4.081 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.639 0.926 -3.734 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.666 3.392 -3.208 1.00 0.00 C ATOM 0 H VAL A 65 -0.674 4.282 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.299 1.956 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.302 2.516 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.724 0.960 -3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.238 0.175 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.373 0.665 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.751 3.378 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.402 3.217 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.283 4.363 -3.521 1.00 0.00 H new ATOM 1011 N GLN A 66 0.135 1.665 -6.190 1.00 0.00 N ATOM 1012 CA GLN A 66 0.737 0.826 -7.212 1.00 0.00 C ATOM 1013 C GLN A 66 2.132 0.376 -6.776 1.00 0.00 C ATOM 1014 O GLN A 66 2.425 -0.818 -6.756 1.00 0.00 O ATOM 1015 CB GLN A 66 0.791 1.555 -8.557 1.00 0.00 C ATOM 1016 CG GLN A 66 1.663 0.794 -9.558 1.00 0.00 C ATOM 1017 CD GLN A 66 0.983 0.713 -10.926 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.161 -0.323 -11.061 1.00 0.00 O flip ATOM 1019 NE2 GLN A 66 1.191 1.537 -11.801 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.280 2.530 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 66 0.115 -0.060 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.217 1.664 -8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.188 2.560 -8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.628 1.291 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.859 -0.211 -9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.835 2.309 -11.631 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.721 1.454 -12.702 1.00 0.00 H new ATOM 1028 N ALA A 67 2.957 1.357 -6.436 1.00 0.00 N ATOM 1029 CA ALA A 67 4.314 1.076 -6.002 1.00 0.00 C ATOM 1030 C ALA A 67 4.276 0.120 -4.808 1.00 0.00 C ATOM 1031 O ALA A 67 5.274 -0.527 -4.493 1.00 0.00 O ATOM 1032 CB ALA A 67 5.027 2.390 -5.674 1.00 0.00 C ATOM 0 H ALA A 67 2.711 2.347 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 67 4.878 0.588 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.046 2.180 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.053 3.021 -6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.491 2.906 -4.878 1.00 0.00 H new ATOM 1038 N ALA A 68 3.113 0.061 -4.175 1.00 0.00 N ATOM 1039 CA ALA A 68 2.931 -0.805 -3.023 1.00 0.00 C ATOM 1040 C ALA A 68 2.700 -2.240 -3.500 1.00 0.00 C ATOM 1041 O ALA A 68 2.496 -3.143 -2.690 1.00 0.00 O ATOM 1042 CB ALA A 68 1.775 -0.282 -2.168 1.00 0.00 C ATOM 0 H ALA A 68 2.288 0.599 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 68 3.824 -0.805 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.639 -0.932 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.001 0.729 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.860 -0.270 -2.761 1.00 0.00 H new ATOM 1048 N ILE A 69 2.740 -2.406 -4.814 1.00 0.00 N ATOM 1049 CA ILE A 69 2.537 -3.717 -5.409 1.00 0.00 C ATOM 1050 C ILE A 69 3.862 -4.221 -5.984 1.00 0.00 C ATOM 1051 O ILE A 69 4.424 -5.199 -5.492 1.00 0.00 O ATOM 1052 CB ILE A 69 1.401 -3.670 -6.433 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.048 -3.489 -5.742 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.424 -4.907 -7.334 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.389 -2.023 -5.768 1.00 0.00 C ATOM 0 H ILE A 69 2.910 -1.655 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 69 2.223 -4.435 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 69 1.554 -2.802 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.703 -4.105 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.113 -3.834 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.607 -4.849 -8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.374 -4.951 -7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.308 -5.803 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.354 -1.922 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.352 -1.413 -5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.477 -1.688 -6.801 1.00 0.00 H new ATOM 1067 N ASP A 70 4.324 -3.532 -7.017 1.00 0.00 N ATOM 1068 CA ASP A 70 5.572 -3.898 -7.663 1.00 0.00 C ATOM 1069 C ASP A 70 6.637 -4.159 -6.596 1.00 0.00 C ATOM 1070 O ASP A 70 7.585 -4.907 -6.830 1.00 0.00 O ATOM 1071 CB ASP A 70 6.075 -2.771 -8.568 1.00 0.00 C ATOM 1072 CG ASP A 70 7.054 -3.207 -9.660 1.00 0.00 C ATOM 1073 OD1 ASP A 70 8.161 -2.661 -9.780 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.634 -4.162 -10.419 1.00 0.00 O ATOM 0 H ASP A 70 3.856 -2.722 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 70 5.392 -4.790 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.216 -2.294 -9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.558 -2.016 -7.948 1.00 0.00 H new ATOM 1080 N TYR A 71 6.445 -3.527 -5.447 1.00 0.00 N ATOM 1081 CA TYR A 71 7.377 -3.682 -4.343 1.00 0.00 C ATOM 1082 C TYR A 71 7.146 -5.006 -3.612 1.00 0.00 C ATOM 1083 O TYR A 71 8.099 -5.678 -3.222 1.00 0.00 O ATOM 1084 CB TYR A 71 7.089 -2.526 -3.383 1.00 0.00 C ATOM 1085 CG TYR A 71 7.463 -2.817 -1.929 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.763 -3.146 -1.604 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.501 -2.750 -0.942 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.116 -3.420 -0.235 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.853 -3.024 0.427 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.144 -3.345 0.713 1.00 0.00 C ATOM 1091 OH TYR A 71 8.477 -3.604 2.006 1.00 0.00 O ATOM 0 H TYR A 71 5.658 -2.907 -5.257 1.00 0.00 H new ATOM 0 HA TYR A 71 8.405 -3.679 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.635 -1.644 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.028 -2.282 -3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.516 -3.198 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.484 -2.492 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.130 -3.679 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.109 -2.976 1.209 1.00 0.00 H new ATOM 0 HH TYR A 71 9.412 -3.353 2.160 1.00 0.00 H new ATOM 1101 N ILE A 72 5.875 -5.340 -3.448 1.00 0.00 N ATOM 1102 CA ILE A 72 5.506 -6.572 -2.770 1.00 0.00 C ATOM 1103 C ILE A 72 5.870 -7.765 -3.656 1.00 0.00 C ATOM 1104 O ILE A 72 6.239 -8.826 -3.155 1.00 0.00 O ATOM 1105 CB ILE A 72 4.033 -6.538 -2.359 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.802 -5.532 -1.229 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.533 -7.936 -1.992 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.288 -6.090 0.110 1.00 0.00 C ATOM 0 H ILE A 72 5.087 -4.779 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 72 6.069 -6.679 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 72 3.448 -6.202 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.327 -4.603 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.741 -5.291 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.483 -7.883 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.640 -8.598 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.119 -8.325 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.112 -5.355 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.744 -7.006 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.354 -6.307 0.048 1.00 0.00 H new ATOM 1120 N ASN A 73 5.753 -7.551 -4.959 1.00 0.00 N ATOM 1121 CA ASN A 73 6.065 -8.596 -5.919 1.00 0.00 C ATOM 1122 C ASN A 73 7.575 -8.627 -6.160 1.00 0.00 C ATOM 1123 O ASN A 73 8.134 -9.674 -6.484 1.00 0.00 O ATOM 1124 CB ASN A 73 5.377 -8.333 -7.261 1.00 0.00 C ATOM 1125 CG ASN A 73 4.129 -9.203 -7.417 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.001 -8.511 -7.550 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 4.186 -10.422 -7.417 1.00 0.00 N flip ATOM 0 H ASN A 73 5.447 -6.670 -5.372 1.00 0.00 H new ATOM 0 HA ASN A 73 5.713 -9.544 -5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.102 -7.281 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.071 -8.537 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.086 -10.890 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.334 -10.972 -7.524 1.00 0.00 H new ATOM 1134 N GLY A 74 8.193 -7.467 -5.992 1.00 0.00 N ATOM 1135 CA GLY A 74 9.628 -7.349 -6.187 1.00 0.00 C ATOM 1136 C GLY A 74 10.388 -7.735 -4.916 1.00 0.00 C ATOM 1137 O GLY A 74 11.594 -7.513 -4.818 1.00 0.00 O ATOM 0 H GLY A 74 7.726 -6.601 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.941 -7.991 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.878 -6.326 -6.468 1.00 0.00 H new ATOM 1141 N HIS A 75 9.651 -8.308 -3.976 1.00 0.00 N ATOM 1142 CA HIS A 75 10.240 -8.728 -2.716 1.00 0.00 C ATOM 1143 C HIS A 75 9.870 -10.186 -2.437 1.00 0.00 C ATOM 1144 O HIS A 75 10.744 -11.019 -2.202 1.00 0.00 O ATOM 1145 CB HIS A 75 9.830 -7.785 -1.583 1.00 0.00 C ATOM 1146 CG HIS A 75 10.910 -7.556 -0.553 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.436 -8.575 0.222 1.00 0.00 N ATOM 1148 CD2 HIS A 75 11.558 -6.415 -0.180 1.00 0.00 C ATOM 1149 CE1 HIS A 75 12.357 -8.060 1.022 1.00 0.00 C ATOM 1150 NE2 HIS A 75 12.431 -6.721 0.773 1.00 0.00 N ATOM 0 H HIS A 75 8.651 -8.491 -4.062 1.00 0.00 H new ATOM 0 HA HIS A 75 11.327 -8.671 -2.782 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.540 -6.825 -2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.949 -8.192 -1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.390 -5.430 -0.590 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.946 -8.605 1.745 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.054 -6.063 1.241 1.00 0.00 H new ATOM 1158 N GLN A 76 8.572 -10.451 -2.472 1.00 0.00 N ATOM 1159 CA GLN A 76 8.075 -11.793 -2.226 1.00 0.00 C ATOM 1160 C GLN A 76 7.731 -12.483 -3.548 1.00 0.00 C ATOM 1161 O GLN A 76 6.592 -12.417 -4.008 1.00 0.00 O ATOM 1162 CB GLN A 76 6.865 -11.767 -1.290 1.00 0.00 C ATOM 1163 CG GLN A 76 7.205 -11.067 0.027 1.00 0.00 C ATOM 1164 CD GLN A 76 6.385 -9.786 0.195 1.00 0.00 C ATOM 1165 OE1 GLN A 76 6.296 -8.954 -0.693 1.00 0.00 O ATOM 1166 NE2 GLN A 76 5.792 -9.675 1.380 1.00 0.00 N ATOM 0 H GLN A 76 7.849 -9.758 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 76 8.861 -12.366 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.036 -11.252 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.534 -12.786 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.010 -11.740 0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.268 -10.828 0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.908 -10.409 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.221 -8.856 1.590 1.00 0.00 H new ATOM 1175 N ALA A 77 8.736 -13.128 -4.121 1.00 0.00 N ATOM 1176 CA ALA A 77 8.554 -13.829 -5.381 1.00 0.00 C ATOM 1177 C ALA A 77 9.571 -14.967 -5.478 1.00 0.00 C ATOM 1178 O ALA A 77 10.615 -14.820 -6.111 1.00 0.00 O ATOM 1179 CB ALA A 77 8.678 -12.837 -6.539 1.00 0.00 C ATOM 0 H ALA A 77 9.679 -13.180 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 77 7.559 -14.271 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.542 -13.362 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.915 -12.065 -6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.666 -12.376 -6.519 1.00 0.00 H new TER 1185 ALA A 77