USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 897 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 100 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.681 K(o=0.68,f=-2.3!) USER MOD Set 2.1: A 62 SER OG : rot 16:sc= 0.816 USER MOD Set 2.2: A 90 ASN : amide:sc= 0.607 K(o=1.4,f=-4.2!) USER MOD Set 3.1: A 16 THR OG1 : rot -148:sc= 0.43 USER MOD Set 3.2: A 31 GLN : amide:sc= 0.467 K(o=0.9,f=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 72:sc= 0.0321 USER MOD Single : A 11 GLN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 2:sc= 0.302 USER MOD Single : A 24 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD Single : A 28 SER OG : rot -126:sc= 1.27 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.17) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.01 (180deg=0.968) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 70 THR OG1 : rot -149:sc= 0.0547 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 2.07 (180deg=2.07) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 130:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 92 ASN : amide:sc= 0.245 X(o=0.25,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -35:sc= 0.578 USER MOD Single : A 106 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= 1.11 K(o=1.1,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.341 -4.257 12.759 1.00 2.12 N ATOM 2 CA SER A 1 17.712 -3.081 13.391 1.00 1.93 C ATOM 3 C SER A 1 17.515 -1.889 12.443 1.00 1.88 C ATOM 4 O SER A 1 16.579 -1.109 12.626 1.00 1.93 O ATOM 5 CB SER A 1 18.531 -2.643 14.607 1.00 2.20 C ATOM 6 OG SER A 1 18.600 -3.701 15.541 1.00 2.38 O ATOM 0 H1 SER A 1 18.440 -5.017 13.462 1.00 2.12 H new ATOM 0 H2 SER A 1 17.747 -4.588 11.972 1.00 2.12 H new ATOM 0 H3 SER A 1 19.281 -3.996 12.397 1.00 2.12 H new ATOM 0 HA SER A 1 16.714 -3.399 13.692 1.00 1.93 H new ATOM 0 HB2 SER A 1 19.535 -2.353 14.296 1.00 2.20 H new ATOM 0 HB3 SER A 1 18.075 -1.767 15.068 1.00 2.20 H new ATOM 0 HG SER A 1 19.126 -3.418 16.318 1.00 2.38 H new ATOM 12 N GLU A 2 18.337 -1.764 11.398 1.00 2.00 N ATOM 13 CA GLU A 2 18.164 -0.764 10.333 1.00 1.99 C ATOM 14 C GLU A 2 17.000 -1.177 9.417 1.00 1.77 C ATOM 15 O GLU A 2 16.170 -0.345 9.044 1.00 1.69 O ATOM 16 CB GLU A 2 19.448 -0.572 9.494 1.00 2.36 C ATOM 17 CG GLU A 2 20.738 -0.249 10.269 1.00 2.30 C ATOM 18 CD GLU A 2 21.275 -1.436 11.081 1.00 3.25 C ATOM 19 OE1 GLU A 2 21.547 -2.511 10.485 1.00 4.11 O ATOM 20 OE2 GLU A 2 21.353 -1.332 12.327 1.00 4.42 O ATOM 0 H GLU A 2 19.153 -2.361 11.263 1.00 2.00 H new ATOM 0 HA GLU A 2 17.943 0.189 10.813 1.00 1.99 H new ATOM 0 HB2 GLU A 2 19.616 -1.481 8.917 1.00 2.36 H new ATOM 0 HB3 GLU A 2 19.270 0.231 8.779 1.00 2.36 H new ATOM 0 HG2 GLU A 2 21.504 0.076 9.565 1.00 2.30 H new ATOM 0 HG3 GLU A 2 20.549 0.587 10.943 1.00 2.30 H new ATOM 27 N ALA A 3 16.885 -2.478 9.128 1.00 1.79 N ATOM 28 CA ALA A 3 15.777 -3.074 8.384 1.00 1.72 C ATOM 29 C ALA A 3 14.437 -2.990 9.145 1.00 1.55 C ATOM 30 O ALA A 3 13.403 -2.710 8.540 1.00 1.49 O ATOM 31 CB ALA A 3 16.151 -4.524 8.063 1.00 2.00 C ATOM 0 H ALA A 3 17.583 -3.164 9.416 1.00 1.79 H new ATOM 0 HA ALA A 3 15.621 -2.511 7.464 1.00 1.72 H new ATOM 0 HB1 ALA A 3 15.340 -4.994 7.507 1.00 2.00 H new ATOM 0 HB2 ALA A 3 17.060 -4.541 7.462 1.00 2.00 H new ATOM 0 HB3 ALA A 3 16.319 -5.070 8.991 1.00 2.00 H new ATOM 37 N LEU A 4 14.453 -3.139 10.477 1.00 1.57 N ATOM 38 CA LEU A 4 13.256 -2.974 11.315 1.00 1.55 C ATOM 39 C LEU A 4 12.732 -1.526 11.289 1.00 1.32 C ATOM 40 O LEU A 4 11.528 -1.302 11.416 1.00 1.32 O ATOM 41 CB LEU A 4 13.561 -3.449 12.750 1.00 1.73 C ATOM 42 CG LEU A 4 12.340 -3.533 13.682 1.00 1.91 C ATOM 43 CD1 LEU A 4 11.351 -4.584 13.194 1.00 2.30 C ATOM 44 CD2 LEU A 4 12.790 -3.925 15.087 1.00 2.37 C ATOM 0 H LEU A 4 15.294 -3.377 11.003 1.00 1.57 H new ATOM 0 HA LEU A 4 12.457 -3.593 10.906 1.00 1.55 H new ATOM 0 HB2 LEU A 4 14.028 -4.432 12.699 1.00 1.73 H new ATOM 0 HB3 LEU A 4 14.291 -2.772 13.193 1.00 1.73 H new ATOM 0 HG LEU A 4 11.858 -2.555 13.688 1.00 1.91 H new ATOM 0 HD11 LEU A 4 10.498 -4.623 13.871 1.00 2.30 H new ATOM 0 HD12 LEU A 4 11.008 -4.324 12.192 1.00 2.30 H new ATOM 0 HD13 LEU A 4 11.839 -5.559 13.169 1.00 2.30 H new ATOM 0 HD21 LEU A 4 11.922 -3.983 15.744 1.00 2.37 H new ATOM 0 HD22 LEU A 4 13.285 -4.895 15.053 1.00 2.37 H new ATOM 0 HD23 LEU A 4 13.484 -3.177 15.469 1.00 2.37 H new ATOM 56 N ALA A 5 13.619 -0.541 11.110 1.00 1.26 N ATOM 57 CA ALA A 5 13.244 0.842 10.816 1.00 1.20 C ATOM 58 C ALA A 5 12.769 1.027 9.357 1.00 1.08 C ATOM 59 O ALA A 5 11.806 1.761 9.110 1.00 1.09 O ATOM 60 CB ALA A 5 14.433 1.744 11.165 1.00 1.33 C ATOM 0 H ALA A 5 14.627 -0.686 11.166 1.00 1.26 H new ATOM 0 HA ALA A 5 12.386 1.123 11.426 1.00 1.20 H new ATOM 0 HB1 ALA A 5 14.177 2.782 10.954 1.00 1.33 H new ATOM 0 HB2 ALA A 5 14.672 1.637 12.223 1.00 1.33 H new ATOM 0 HB3 ALA A 5 15.297 1.455 10.567 1.00 1.33 H new ATOM 66 N LYS A 6 13.410 0.346 8.389 1.00 1.09 N ATOM 67 CA LYS A 6 13.103 0.432 6.947 1.00 1.08 C ATOM 68 C LYS A 6 11.656 0.041 6.620 1.00 1.09 C ATOM 69 O LYS A 6 11.048 0.690 5.772 1.00 1.10 O ATOM 70 CB LYS A 6 14.125 -0.391 6.129 1.00 1.25 C ATOM 71 CG LYS A 6 13.958 -0.166 4.616 1.00 1.33 C ATOM 72 CD LYS A 6 15.001 -0.900 3.760 1.00 1.74 C ATOM 73 CE LYS A 6 14.646 -0.675 2.283 1.00 2.19 C ATOM 74 NZ LYS A 6 15.576 -1.352 1.348 1.00 2.73 N ATOM 0 H LYS A 6 14.176 -0.296 8.592 1.00 1.09 H new ATOM 0 HA LYS A 6 13.195 1.479 6.657 1.00 1.08 H new ATOM 0 HB2 LYS A 6 15.136 -0.116 6.428 1.00 1.25 H new ATOM 0 HB3 LYS A 6 14.003 -1.450 6.355 1.00 1.25 H new ATOM 0 HG2 LYS A 6 12.962 -0.493 4.318 1.00 1.33 H new ATOM 0 HG3 LYS A 6 14.018 0.902 4.408 1.00 1.33 H new ATOM 0 HD2 LYS A 6 16.002 -0.524 3.973 1.00 1.74 H new ATOM 0 HD3 LYS A 6 15.004 -1.965 3.993 1.00 1.74 H new ATOM 0 HE2 LYS A 6 13.633 -1.034 2.101 1.00 2.19 H new ATOM 0 HE3 LYS A 6 14.647 0.395 2.075 1.00 2.19 H new ATOM 0 HZ1 LYS A 6 15.283 -1.162 0.368 1.00 2.73 H new ATOM 0 HZ2 LYS A 6 16.541 -0.993 1.497 1.00 2.73 H new ATOM 0 HZ3 LYS A 6 15.558 -2.377 1.522 1.00 2.73 H new ATOM 88 N LEU A 7 11.080 -0.943 7.325 1.00 1.18 N ATOM 89 CA LEU A 7 9.659 -1.323 7.199 1.00 1.27 C ATOM 90 C LEU A 7 8.720 -0.103 7.275 1.00 1.34 C ATOM 91 O LEU A 7 7.864 0.075 6.411 1.00 1.53 O ATOM 92 CB LEU A 7 9.280 -2.345 8.302 1.00 1.25 C ATOM 93 CG LEU A 7 9.294 -3.839 7.924 1.00 1.25 C ATOM 94 CD1 LEU A 7 8.280 -4.170 6.830 1.00 1.22 C ATOM 95 CD2 LEU A 7 10.671 -4.338 7.493 1.00 1.35 C ATOM 0 H LEU A 7 11.590 -1.505 8.007 1.00 1.18 H new ATOM 0 HA LEU A 7 9.532 -1.776 6.216 1.00 1.27 H new ATOM 0 HB2 LEU A 7 9.963 -2.204 9.140 1.00 1.25 H new ATOM 0 HB3 LEU A 7 8.280 -2.098 8.660 1.00 1.25 H new ATOM 0 HG LEU A 7 9.015 -4.358 8.841 1.00 1.25 H new ATOM 0 HD11 LEU A 7 8.328 -5.234 6.599 1.00 1.22 H new ATOM 0 HD12 LEU A 7 7.277 -3.919 7.175 1.00 1.22 H new ATOM 0 HD13 LEU A 7 8.510 -3.593 5.934 1.00 1.22 H new ATOM 0 HD21 LEU A 7 10.612 -5.397 7.241 1.00 1.35 H new ATOM 0 HD22 LEU A 7 11.006 -3.775 6.621 1.00 1.35 H new ATOM 0 HD23 LEU A 7 11.380 -4.199 8.309 1.00 1.35 H new ATOM 107 N ILE A 8 8.893 0.747 8.292 1.00 1.26 N ATOM 108 CA ILE A 8 8.121 1.988 8.458 1.00 1.34 C ATOM 109 C ILE A 8 8.549 3.087 7.472 1.00 1.14 C ATOM 110 O ILE A 8 7.678 3.788 6.948 1.00 1.22 O ATOM 111 CB ILE A 8 8.136 2.427 9.940 1.00 1.50 C ATOM 112 CG1 ILE A 8 7.456 1.372 10.846 1.00 1.81 C ATOM 113 CG2 ILE A 8 7.490 3.805 10.170 1.00 1.60 C ATOM 114 CD1 ILE A 8 6.000 1.010 10.503 1.00 2.16 C ATOM 0 H ILE A 8 9.579 0.594 9.031 1.00 1.26 H new ATOM 0 HA ILE A 8 7.082 1.790 8.197 1.00 1.34 H new ATOM 0 HB ILE A 8 9.188 2.512 10.211 1.00 1.50 H new ATOM 0 HG12 ILE A 8 8.051 0.460 10.814 1.00 1.81 H new ATOM 0 HG13 ILE A 8 7.485 1.735 11.873 1.00 1.81 H new ATOM 0 HG21 ILE A 8 7.533 4.054 11.230 1.00 1.60 H new ATOM 0 HG22 ILE A 8 8.029 4.560 9.598 1.00 1.60 H new ATOM 0 HG23 ILE A 8 6.450 3.778 9.845 1.00 1.60 H new ATOM 0 HD11 ILE A 8 5.635 0.262 11.208 1.00 2.16 H new ATOM 0 HD12 ILE A 8 5.378 1.903 10.567 1.00 2.16 H new ATOM 0 HD13 ILE A 8 5.954 0.608 9.491 1.00 2.16 H new ATOM 126 N SER A 9 9.850 3.202 7.157 1.00 0.95 N ATOM 127 CA SER A 9 10.385 4.186 6.197 1.00 0.87 C ATOM 128 C SER A 9 9.783 4.045 4.795 1.00 0.85 C ATOM 129 O SER A 9 9.647 5.045 4.082 1.00 0.87 O ATOM 130 CB SER A 9 11.906 4.046 6.047 1.00 0.97 C ATOM 131 OG SER A 9 12.606 4.323 7.246 1.00 1.16 O ATOM 0 H SER A 9 10.570 2.607 7.567 1.00 0.95 H new ATOM 0 HA SER A 9 10.116 5.158 6.611 1.00 0.87 H new ATOM 0 HB2 SER A 9 12.142 3.033 5.720 1.00 0.97 H new ATOM 0 HB3 SER A 9 12.253 4.722 5.265 1.00 0.97 H new ATOM 0 HG SER A 9 12.463 3.593 7.884 1.00 1.16 H new ATOM 137 N LEU A 10 9.399 2.825 4.400 1.00 0.97 N ATOM 138 CA LEU A 10 8.835 2.507 3.084 1.00 1.18 C ATOM 139 C LEU A 10 7.535 3.259 2.754 1.00 1.37 C ATOM 140 O LEU A 10 7.212 3.383 1.576 1.00 1.58 O ATOM 141 CB LEU A 10 8.585 0.983 2.986 1.00 1.30 C ATOM 142 CG LEU A 10 9.432 0.290 1.906 1.00 1.67 C ATOM 143 CD1 LEU A 10 10.875 0.132 2.380 1.00 2.31 C ATOM 144 CD2 LEU A 10 8.885 -1.108 1.614 1.00 1.42 C ATOM 0 H LEU A 10 9.475 2.008 5.006 1.00 0.97 H new ATOM 0 HA LEU A 10 9.571 2.837 2.351 1.00 1.18 H new ATOM 0 HB2 LEU A 10 8.797 0.525 3.952 1.00 1.30 H new ATOM 0 HB3 LEU A 10 7.530 0.809 2.776 1.00 1.30 H new ATOM 0 HG LEU A 10 9.392 0.908 1.009 1.00 1.67 H new ATOM 0 HD11 LEU A 10 11.461 -0.360 1.604 1.00 2.31 H new ATOM 0 HD12 LEU A 10 11.300 1.114 2.587 1.00 2.31 H new ATOM 0 HD13 LEU A 10 10.896 -0.471 3.288 1.00 2.31 H new ATOM 0 HD21 LEU A 10 9.496 -1.585 0.847 1.00 1.42 H new ATOM 0 HD22 LEU A 10 8.912 -1.707 2.524 1.00 1.42 H new ATOM 0 HD23 LEU A 10 7.856 -1.030 1.262 1.00 1.42 H new ATOM 156 N GLN A 11 6.786 3.753 3.745 1.00 1.37 N ATOM 157 CA GLN A 11 5.447 4.334 3.566 1.00 1.53 C ATOM 158 C GLN A 11 5.398 5.601 2.685 1.00 1.64 C ATOM 159 O GLN A 11 6.419 6.239 2.431 1.00 2.02 O ATOM 160 CB GLN A 11 4.846 4.583 4.945 1.00 1.63 C ATOM 161 CG GLN A 11 4.336 3.272 5.540 1.00 1.58 C ATOM 162 CD GLN A 11 3.766 3.507 6.921 1.00 1.74 C ATOM 163 OE1 GLN A 11 2.559 3.570 7.127 1.00 2.22 O ATOM 164 NE2 GLN A 11 4.620 3.688 7.896 1.00 2.36 N ATOM 0 H GLN A 11 7.098 3.761 4.716 1.00 1.37 H new ATOM 0 HA GLN A 11 4.852 3.611 3.007 1.00 1.53 H new ATOM 0 HB2 GLN A 11 5.596 5.023 5.603 1.00 1.63 H new ATOM 0 HB3 GLN A 11 4.028 5.300 4.870 1.00 1.63 H new ATOM 0 HG2 GLN A 11 3.571 2.844 4.892 1.00 1.58 H new ATOM 0 HG3 GLN A 11 5.150 2.549 5.594 1.00 1.58 H new ATOM 0 HE21 GLN A 11 5.622 3.633 7.713 1.00 2.36 H new ATOM 0 HE22 GLN A 11 4.284 3.884 8.839 1.00 2.36 H new ATOM 173 N ALA A 12 4.204 5.961 2.203 1.00 1.49 N ATOM 174 CA ALA A 12 3.982 7.017 1.207 1.00 1.57 C ATOM 175 C ALA A 12 3.593 8.388 1.809 1.00 1.75 C ATOM 176 O ALA A 12 3.896 9.429 1.218 1.00 3.55 O ATOM 177 CB ALA A 12 2.897 6.506 0.252 1.00 1.50 C ATOM 0 H ALA A 12 3.339 5.513 2.504 1.00 1.49 H new ATOM 0 HA ALA A 12 4.922 7.210 0.690 1.00 1.57 H new ATOM 0 HB1 ALA A 12 2.697 7.260 -0.509 1.00 1.50 H new ATOM 0 HB2 ALA A 12 3.237 5.588 -0.227 1.00 1.50 H new ATOM 0 HB3 ALA A 12 1.984 6.306 0.813 1.00 1.50 H new ATOM 183 N THR A 13 2.898 8.387 2.954 1.00 1.33 N ATOM 184 CA THR A 13 2.465 9.557 3.761 1.00 1.35 C ATOM 185 C THR A 13 1.459 10.518 3.093 1.00 1.00 C ATOM 186 O THR A 13 0.836 11.349 3.756 1.00 0.94 O ATOM 187 CB THR A 13 3.669 10.336 4.328 1.00 1.73 C ATOM 188 OG1 THR A 13 4.762 9.490 4.626 1.00 2.48 O ATOM 189 CG2 THR A 13 3.350 11.042 5.642 1.00 2.27 C ATOM 0 H THR A 13 2.597 7.510 3.379 1.00 1.33 H new ATOM 0 HA THR A 13 1.902 9.101 4.576 1.00 1.35 H new ATOM 0 HB THR A 13 3.911 11.051 3.542 1.00 1.73 H new ATOM 0 HG1 THR A 13 5.503 10.025 4.981 1.00 2.48 H new ATOM 0 HG21 THR A 13 4.234 11.574 5.993 1.00 2.27 H new ATOM 0 HG22 THR A 13 2.538 11.752 5.486 1.00 2.27 H new ATOM 0 HG23 THR A 13 3.049 10.305 6.387 1.00 2.27 H new ATOM 197 N GLU A 14 1.240 10.406 1.787 1.00 0.88 N ATOM 198 CA GLU A 14 0.231 11.139 1.010 1.00 0.76 C ATOM 199 C GLU A 14 -0.419 10.234 -0.053 1.00 0.75 C ATOM 200 O GLU A 14 0.212 9.289 -0.539 1.00 0.84 O ATOM 201 CB GLU A 14 0.849 12.419 0.423 1.00 0.91 C ATOM 202 CG GLU A 14 1.941 12.184 -0.626 1.00 1.06 C ATOM 203 CD GLU A 14 2.599 13.503 -1.036 1.00 1.81 C ATOM 204 OE1 GLU A 14 3.541 13.927 -0.329 1.00 2.86 O ATOM 205 OE2 GLU A 14 2.192 14.110 -2.063 1.00 2.82 O ATOM 0 H GLU A 14 1.787 9.770 1.206 1.00 0.88 H new ATOM 0 HA GLU A 14 -0.579 11.448 1.670 1.00 0.76 H new ATOM 0 HB2 GLU A 14 0.055 13.015 -0.027 1.00 0.91 H new ATOM 0 HB3 GLU A 14 1.269 13.009 1.238 1.00 0.91 H new ATOM 0 HG2 GLU A 14 2.695 11.506 -0.226 1.00 1.06 H new ATOM 0 HG3 GLU A 14 1.510 11.700 -1.503 1.00 1.06 H new ATOM 212 N ALA A 15 -1.689 10.481 -0.383 1.00 0.69 N ATOM 213 CA ALA A 15 -2.502 9.627 -1.256 1.00 0.68 C ATOM 214 C ALA A 15 -3.452 10.433 -2.166 1.00 0.63 C ATOM 215 O ALA A 15 -3.621 11.640 -1.990 1.00 0.75 O ATOM 216 CB ALA A 15 -3.278 8.648 -0.360 1.00 0.68 C ATOM 0 H ALA A 15 -2.194 11.300 -0.043 1.00 0.69 H new ATOM 0 HA ALA A 15 -1.846 9.085 -1.937 1.00 0.68 H new ATOM 0 HB1 ALA A 15 -3.894 7.997 -0.980 1.00 0.68 H new ATOM 0 HB2 ALA A 15 -2.575 8.044 0.213 1.00 0.68 H new ATOM 0 HB3 ALA A 15 -3.916 9.208 0.323 1.00 0.68 H new ATOM 222 N THR A 16 -4.119 9.735 -3.088 1.00 0.54 N ATOM 223 CA THR A 16 -5.165 10.293 -3.968 1.00 0.53 C ATOM 224 C THR A 16 -6.483 9.518 -3.855 1.00 0.45 C ATOM 225 O THR A 16 -6.518 8.322 -4.139 1.00 0.55 O ATOM 226 CB THR A 16 -4.691 10.329 -5.426 1.00 0.69 C ATOM 227 OG1 THR A 16 -3.442 10.980 -5.542 1.00 0.84 O ATOM 228 CG2 THR A 16 -5.662 11.072 -6.337 1.00 0.75 C ATOM 0 H THR A 16 -3.948 8.743 -3.252 1.00 0.54 H new ATOM 0 HA THR A 16 -5.352 11.314 -3.634 1.00 0.53 H new ATOM 0 HB THR A 16 -4.621 9.285 -5.732 1.00 0.69 H new ATOM 0 HG1 THR A 16 -3.390 11.437 -6.407 1.00 0.84 H new ATOM 0 HG21 THR A 16 -5.279 11.068 -7.357 1.00 0.75 H new ATOM 0 HG22 THR A 16 -6.634 10.579 -6.312 1.00 0.75 H new ATOM 0 HG23 THR A 16 -5.768 12.101 -5.993 1.00 0.75 H new ATOM 236 N ILE A 17 -7.568 10.198 -3.469 1.00 0.45 N ATOM 237 CA ILE A 17 -8.941 9.668 -3.327 1.00 0.46 C ATOM 238 C ILE A 17 -9.745 9.917 -4.610 1.00 0.52 C ATOM 239 O ILE A 17 -9.612 10.982 -5.204 1.00 0.59 O ATOM 240 CB ILE A 17 -9.665 10.321 -2.114 1.00 0.50 C ATOM 241 CG1 ILE A 17 -8.833 10.176 -0.817 1.00 0.51 C ATOM 242 CG2 ILE A 17 -11.061 9.695 -1.921 1.00 0.60 C ATOM 243 CD1 ILE A 17 -9.492 10.723 0.459 1.00 0.57 C ATOM 0 H ILE A 17 -7.516 11.189 -3.233 1.00 0.45 H new ATOM 0 HA ILE A 17 -8.872 8.594 -3.153 1.00 0.46 H new ATOM 0 HB ILE A 17 -9.778 11.384 -2.326 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -8.611 9.120 -0.665 1.00 0.51 H new ATOM 0 HG13 ILE A 17 -7.880 10.685 -0.959 1.00 0.51 H new ATOM 0 HG21 ILE A 17 -11.555 10.162 -1.069 1.00 0.60 H new ATOM 0 HG22 ILE A 17 -11.658 9.854 -2.819 1.00 0.60 H new ATOM 0 HG23 ILE A 17 -10.958 8.625 -1.739 1.00 0.60 H new ATOM 0 HD11 ILE A 17 -8.825 10.571 1.307 1.00 0.57 H new ATOM 0 HD12 ILE A 17 -9.689 11.788 0.339 1.00 0.57 H new ATOM 0 HD13 ILE A 17 -10.431 10.199 0.637 1.00 0.57 H new ATOM 255 N VAL A 18 -10.639 9.005 -5.010 1.00 0.59 N ATOM 256 CA VAL A 18 -11.592 9.207 -6.121 1.00 0.72 C ATOM 257 C VAL A 18 -13.035 9.289 -5.597 1.00 0.88 C ATOM 258 O VAL A 18 -13.495 8.403 -4.872 1.00 1.06 O ATOM 259 CB VAL A 18 -11.438 8.119 -7.202 1.00 0.99 C ATOM 260 CG1 VAL A 18 -12.258 8.464 -8.452 1.00 2.06 C ATOM 261 CG2 VAL A 18 -9.975 7.897 -7.604 1.00 1.32 C ATOM 0 H VAL A 18 -10.726 8.090 -4.568 1.00 0.59 H new ATOM 0 HA VAL A 18 -11.358 10.161 -6.594 1.00 0.72 H new ATOM 0 HB VAL A 18 -11.814 7.196 -6.761 1.00 0.99 H new ATOM 0 HG11 VAL A 18 -12.131 7.680 -9.198 1.00 2.06 H new ATOM 0 HG12 VAL A 18 -13.312 8.544 -8.185 1.00 2.06 H new ATOM 0 HG13 VAL A 18 -11.914 9.414 -8.862 1.00 2.06 H new ATOM 0 HG21 VAL A 18 -9.921 7.121 -8.368 1.00 1.32 H new ATOM 0 HG22 VAL A 18 -9.562 8.825 -7.999 1.00 1.32 H new ATOM 0 HG23 VAL A 18 -9.401 7.587 -6.731 1.00 1.32 H new ATOM 271 N THR A 19 -13.745 10.366 -5.950 1.00 0.96 N ATOM 272 CA THR A 19 -15.088 10.727 -5.434 1.00 1.26 C ATOM 273 C THR A 19 -16.020 11.183 -6.570 1.00 1.44 C ATOM 274 O THR A 19 -15.539 11.708 -7.577 1.00 1.24 O ATOM 275 CB THR A 19 -14.958 11.845 -4.378 1.00 1.40 C ATOM 276 OG1 THR A 19 -13.998 11.499 -3.402 1.00 1.45 O ATOM 277 CG2 THR A 19 -16.238 12.125 -3.599 1.00 1.87 C ATOM 0 H THR A 19 -13.394 11.042 -6.629 1.00 0.96 H new ATOM 0 HA THR A 19 -15.526 9.840 -4.975 1.00 1.26 H new ATOM 0 HB THR A 19 -14.684 12.726 -4.959 1.00 1.40 H new ATOM 0 HG1 THR A 19 -13.928 12.220 -2.742 1.00 1.45 H new ATOM 0 HG21 THR A 19 -16.058 12.923 -2.879 1.00 1.87 H new ATOM 0 HG22 THR A 19 -17.025 12.429 -4.289 1.00 1.87 H new ATOM 0 HG23 THR A 19 -16.547 11.223 -3.071 1.00 1.87 H new ATOM 285 N LEU A 20 -17.345 11.022 -6.432 1.00 1.93 N ATOM 286 CA LEU A 20 -18.307 11.582 -7.393 1.00 2.30 C ATOM 287 C LEU A 20 -18.529 13.084 -7.157 1.00 2.71 C ATOM 288 O LEU A 20 -18.644 13.533 -6.014 1.00 3.56 O ATOM 289 CB LEU A 20 -19.657 10.831 -7.372 1.00 3.23 C ATOM 290 CG LEU A 20 -19.576 9.316 -7.643 1.00 3.54 C ATOM 291 CD1 LEU A 20 -20.954 8.682 -7.442 1.00 4.77 C ATOM 292 CD2 LEU A 20 -19.118 9.026 -9.074 1.00 3.37 C ATOM 0 H LEU A 20 -17.775 10.508 -5.663 1.00 1.93 H new ATOM 0 HA LEU A 20 -17.868 11.449 -8.382 1.00 2.30 H new ATOM 0 HB2 LEU A 20 -20.123 10.984 -6.399 1.00 3.23 H new ATOM 0 HB3 LEU A 20 -20.315 11.281 -8.115 1.00 3.23 H new ATOM 0 HG LEU A 20 -18.851 8.895 -6.946 1.00 3.54 H new ATOM 0 HD11 LEU A 20 -20.893 7.611 -7.634 1.00 4.77 H new ATOM 0 HD12 LEU A 20 -21.285 8.848 -6.417 1.00 4.77 H new ATOM 0 HD13 LEU A 20 -21.667 9.135 -8.131 1.00 4.77 H new ATOM 0 HD21 LEU A 20 -19.072 7.948 -9.230 1.00 3.37 H new ATOM 0 HD22 LEU A 20 -19.825 9.465 -9.778 1.00 3.37 H new ATOM 0 HD23 LEU A 20 -18.130 9.458 -9.235 1.00 3.37 H new ATOM 304 N ASP A 21 -18.658 13.846 -8.246 1.00 2.49 N ATOM 305 CA ASP A 21 -19.030 15.277 -8.234 1.00 3.04 C ATOM 306 C ASP A 21 -20.364 15.564 -8.960 1.00 3.23 C ATOM 307 O ASP A 21 -20.893 16.675 -8.856 1.00 3.79 O ATOM 308 CB ASP A 21 -17.885 16.136 -8.809 1.00 3.10 C ATOM 309 CG ASP A 21 -17.234 17.086 -7.807 1.00 3.93 C ATOM 310 OD1 ASP A 21 -17.952 17.730 -7.005 1.00 4.35 O ATOM 311 OD2 ASP A 21 -15.988 17.229 -7.842 1.00 4.73 O ATOM 0 H ASP A 21 -18.505 13.483 -9.187 1.00 2.49 H new ATOM 0 HA ASP A 21 -19.190 15.553 -7.192 1.00 3.04 H new ATOM 0 HB2 ASP A 21 -17.119 15.473 -9.211 1.00 3.10 H new ATOM 0 HB3 ASP A 21 -18.272 16.720 -9.644 1.00 3.10 H new ATOM 316 N SER A 22 -20.899 14.555 -9.657 1.00 2.95 N ATOM 317 CA SER A 22 -22.250 14.512 -10.237 1.00 3.15 C ATOM 318 C SER A 22 -22.744 13.060 -10.346 1.00 3.31 C ATOM 319 O SER A 22 -21.963 12.149 -10.612 1.00 3.51 O ATOM 320 CB SER A 22 -22.333 15.179 -11.616 1.00 3.08 C ATOM 321 OG SER A 22 -21.995 16.554 -11.598 1.00 3.14 O ATOM 0 H SER A 22 -20.375 13.700 -9.843 1.00 2.95 H new ATOM 0 HA SER A 22 -22.890 15.078 -9.559 1.00 3.15 H new ATOM 0 HB2 SER A 22 -21.667 14.658 -12.304 1.00 3.08 H new ATOM 0 HB3 SER A 22 -23.345 15.066 -12.005 1.00 3.08 H new ATOM 0 HG SER A 22 -21.737 16.816 -10.689 1.00 3.14 H new ATOM 327 N ASP A 23 -24.052 12.883 -10.154 1.00 3.98 N ATOM 328 CA ASP A 23 -24.837 11.649 -9.945 1.00 4.52 C ATOM 329 C ASP A 23 -24.430 10.417 -10.782 1.00 4.53 C ATOM 330 O ASP A 23 -25.048 10.111 -11.799 1.00 5.05 O ATOM 331 CB ASP A 23 -26.317 12.013 -10.152 1.00 5.24 C ATOM 332 CG ASP A 23 -27.264 10.860 -9.833 1.00 5.71 C ATOM 333 OD1 ASP A 23 -27.323 10.449 -8.650 1.00 6.48 O ATOM 334 OD2 ASP A 23 -28.004 10.390 -10.731 1.00 5.76 O ATOM 0 H ASP A 23 -24.668 13.696 -10.138 1.00 3.98 H new ATOM 0 HA ASP A 23 -24.630 11.309 -8.930 1.00 4.52 H new ATOM 0 HB2 ASP A 23 -26.567 12.867 -9.522 1.00 5.24 H new ATOM 0 HB3 ASP A 23 -26.468 12.325 -11.186 1.00 5.24 H new ATOM 339 N ASN A 24 -23.358 9.738 -10.354 1.00 4.19 N ATOM 340 CA ASN A 24 -22.628 8.656 -11.056 1.00 4.24 C ATOM 341 C ASN A 24 -21.904 9.101 -12.341 1.00 3.99 C ATOM 342 O ASN A 24 -20.960 8.442 -12.793 1.00 4.02 O ATOM 343 CB ASN A 24 -23.556 7.456 -11.355 1.00 5.05 C ATOM 344 CG ASN A 24 -24.519 7.142 -10.250 1.00 6.49 C ATOM 345 OD1 ASN A 24 -25.712 7.413 -10.319 1.00 8.04 O ATOM 346 ND2 ASN A 24 -24.038 6.604 -9.174 1.00 6.58 N ATOM 0 H ASN A 24 -22.943 9.939 -9.444 1.00 4.19 H new ATOM 0 HA ASN A 24 -21.846 8.351 -10.361 1.00 4.24 H new ATOM 0 HB2 ASN A 24 -24.118 7.662 -12.266 1.00 5.05 H new ATOM 0 HB3 ASN A 24 -22.944 6.576 -11.551 1.00 5.05 H new ATOM 0 HD21 ASN A 24 -24.652 6.406 -8.384 1.00 6.58 H new ATOM 0 HD22 ASN A 24 -23.045 6.378 -9.117 1.00 6.58 H new ATOM 353 N ILE A 25 -22.361 10.204 -12.928 1.00 3.90 N ATOM 354 CA ILE A 25 -22.015 10.749 -14.239 1.00 3.81 C ATOM 355 C ILE A 25 -20.722 11.576 -14.281 1.00 3.26 C ATOM 356 O ILE A 25 -20.187 11.782 -15.376 1.00 3.33 O ATOM 357 CB ILE A 25 -23.244 11.536 -14.757 1.00 4.04 C ATOM 358 CG1 ILE A 25 -23.709 12.660 -13.810 1.00 3.84 C ATOM 359 CG2 ILE A 25 -24.358 10.517 -15.080 1.00 4.66 C ATOM 360 CD1 ILE A 25 -24.788 13.575 -14.405 1.00 4.10 C ATOM 0 H ILE A 25 -23.046 10.793 -12.455 1.00 3.90 H new ATOM 0 HA ILE A 25 -21.782 9.915 -14.901 1.00 3.81 H new ATOM 0 HB ILE A 25 -22.963 12.074 -15.663 1.00 4.04 H new ATOM 0 HG12 ILE A 25 -24.093 12.212 -12.893 1.00 3.84 H new ATOM 0 HG13 ILE A 25 -22.847 13.266 -13.532 1.00 3.84 H new ATOM 0 HG21 ILE A 25 -25.238 11.044 -15.448 1.00 4.66 H new ATOM 0 HG22 ILE A 25 -24.006 9.823 -15.843 1.00 4.66 H new ATOM 0 HG23 ILE A 25 -24.618 9.963 -14.178 1.00 4.66 H new ATOM 0 HD11 ILE A 25 -25.060 14.338 -13.676 1.00 4.10 H new ATOM 0 HD12 ILE A 25 -24.403 14.054 -15.305 1.00 4.10 H new ATOM 0 HD13 ILE A 25 -25.668 12.984 -14.657 1.00 4.10 H new ATOM 372 N LEU A 26 -20.193 12.004 -13.124 1.00 2.82 N ATOM 373 CA LEU A 26 -18.871 12.624 -13.021 1.00 2.29 C ATOM 374 C LEU A 26 -18.051 12.155 -11.805 1.00 2.25 C ATOM 375 O LEU A 26 -18.515 12.186 -10.665 1.00 2.95 O ATOM 376 CB LEU A 26 -18.994 14.149 -13.081 1.00 2.27 C ATOM 377 CG LEU A 26 -17.609 14.795 -13.272 1.00 2.41 C ATOM 378 CD1 LEU A 26 -17.696 15.959 -14.233 1.00 2.74 C ATOM 379 CD2 LEU A 26 -17.052 15.335 -11.966 1.00 2.75 C ATOM 0 H LEU A 26 -20.677 11.927 -12.230 1.00 2.82 H new ATOM 0 HA LEU A 26 -18.299 12.284 -13.884 1.00 2.29 H new ATOM 0 HB2 LEU A 26 -19.651 14.435 -13.902 1.00 2.27 H new ATOM 0 HB3 LEU A 26 -19.451 14.519 -12.163 1.00 2.27 H new ATOM 0 HG LEU A 26 -16.955 14.013 -13.658 1.00 2.41 H new ATOM 0 HD11 LEU A 26 -16.708 16.404 -14.356 1.00 2.74 H new ATOM 0 HD12 LEU A 26 -18.059 15.607 -15.199 1.00 2.74 H new ATOM 0 HD13 LEU A 26 -18.384 16.707 -13.838 1.00 2.74 H new ATOM 0 HD21 LEU A 26 -16.074 15.782 -12.145 1.00 2.75 H new ATOM 0 HD22 LEU A 26 -17.729 16.090 -11.566 1.00 2.75 H new ATOM 0 HD23 LEU A 26 -16.953 14.521 -11.248 1.00 2.75 H new ATOM 391 N LEU A 27 -16.792 11.820 -12.093 1.00 1.84 N ATOM 392 CA LEU A 27 -15.721 11.488 -11.147 1.00 1.77 C ATOM 393 C LEU A 27 -14.692 12.628 -11.033 1.00 1.44 C ATOM 394 O LEU A 27 -14.394 13.307 -12.016 1.00 1.77 O ATOM 395 CB LEU A 27 -15.010 10.188 -11.576 1.00 2.14 C ATOM 396 CG LEU A 27 -15.759 8.874 -11.293 1.00 2.89 C ATOM 397 CD1 LEU A 27 -17.002 8.660 -12.162 1.00 3.13 C ATOM 398 CD2 LEU A 27 -14.812 7.704 -11.557 1.00 3.39 C ATOM 0 H LEU A 27 -16.470 11.770 -13.060 1.00 1.84 H new ATOM 0 HA LEU A 27 -16.181 11.345 -10.169 1.00 1.77 H new ATOM 0 HB2 LEU A 27 -14.811 10.244 -12.646 1.00 2.14 H new ATOM 0 HB3 LEU A 27 -14.043 10.145 -11.074 1.00 2.14 H new ATOM 0 HG LEU A 27 -16.090 8.932 -10.256 1.00 2.89 H new ATOM 0 HD11 LEU A 27 -17.471 7.712 -11.899 1.00 3.13 H new ATOM 0 HD12 LEU A 27 -17.708 9.473 -11.993 1.00 3.13 H new ATOM 0 HD13 LEU A 27 -16.713 8.643 -13.213 1.00 3.13 H new ATOM 0 HD21 LEU A 27 -15.330 6.765 -11.360 1.00 3.39 H new ATOM 0 HD22 LEU A 27 -14.486 7.727 -12.597 1.00 3.39 H new ATOM 0 HD23 LEU A 27 -13.944 7.784 -10.902 1.00 3.39 H new ATOM 410 N SER A 28 -14.103 12.792 -9.850 1.00 1.03 N ATOM 411 CA SER A 28 -12.949 13.664 -9.578 1.00 1.02 C ATOM 412 C SER A 28 -11.938 12.950 -8.674 1.00 1.01 C ATOM 413 O SER A 28 -12.335 12.180 -7.795 1.00 1.04 O ATOM 414 CB SER A 28 -13.432 14.976 -8.947 1.00 1.29 C ATOM 415 OG SER A 28 -12.337 15.796 -8.563 1.00 1.82 O ATOM 0 H SER A 28 -14.426 12.302 -9.016 1.00 1.03 H new ATOM 0 HA SER A 28 -12.444 13.897 -10.516 1.00 1.02 H new ATOM 0 HB2 SER A 28 -14.061 15.514 -9.656 1.00 1.29 H new ATOM 0 HB3 SER A 28 -14.049 14.758 -8.076 1.00 1.29 H new ATOM 0 HG SER A 28 -12.423 16.034 -7.616 1.00 1.82 H new ATOM 421 N GLU A 29 -10.634 13.197 -8.864 1.00 1.14 N ATOM 422 CA GLU A 29 -9.587 12.681 -7.973 1.00 1.02 C ATOM 423 C GLU A 29 -8.942 13.807 -7.140 1.00 1.09 C ATOM 424 O GLU A 29 -8.515 14.835 -7.677 1.00 1.47 O ATOM 425 CB GLU A 29 -8.524 11.849 -8.709 1.00 1.26 C ATOM 426 CG GLU A 29 -9.049 10.824 -9.730 1.00 1.39 C ATOM 427 CD GLU A 29 -8.932 11.239 -11.209 1.00 1.65 C ATOM 428 OE1 GLU A 29 -8.609 12.408 -11.543 1.00 2.01 O ATOM 429 OE2 GLU A 29 -9.139 10.350 -12.067 1.00 2.82 O ATOM 0 H GLU A 29 -10.277 13.758 -9.637 1.00 1.14 H new ATOM 0 HA GLU A 29 -10.087 11.999 -7.285 1.00 1.02 H new ATOM 0 HB2 GLU A 29 -7.851 12.533 -9.226 1.00 1.26 H new ATOM 0 HB3 GLU A 29 -7.930 11.318 -7.966 1.00 1.26 H new ATOM 0 HG2 GLU A 29 -8.508 9.888 -9.590 1.00 1.39 H new ATOM 0 HG3 GLU A 29 -10.097 10.622 -9.509 1.00 1.39 H new ATOM 436 N GLU A 30 -8.849 13.607 -5.827 1.00 0.85 N ATOM 437 CA GLU A 30 -8.470 14.587 -4.800 1.00 0.91 C ATOM 438 C GLU A 30 -7.189 14.135 -4.083 1.00 0.72 C ATOM 439 O GLU A 30 -7.121 12.983 -3.651 1.00 0.63 O ATOM 440 CB GLU A 30 -9.594 14.693 -3.745 1.00 1.10 C ATOM 441 CG GLU A 30 -11.043 14.789 -4.253 1.00 1.35 C ATOM 442 CD GLU A 30 -11.363 16.115 -4.971 1.00 2.51 C ATOM 443 OE1 GLU A 30 -10.868 17.187 -4.544 1.00 2.89 O ATOM 444 OE2 GLU A 30 -12.152 16.153 -5.949 1.00 3.92 O ATOM 0 H GLU A 30 -9.050 12.694 -5.420 1.00 0.85 H new ATOM 0 HA GLU A 30 -8.307 15.549 -5.286 1.00 0.91 H new ATOM 0 HB2 GLU A 30 -9.524 13.823 -3.092 1.00 1.10 H new ATOM 0 HB3 GLU A 30 -9.395 15.571 -3.130 1.00 1.10 H new ATOM 0 HG2 GLU A 30 -11.235 13.961 -4.936 1.00 1.35 H new ATOM 0 HG3 GLU A 30 -11.723 14.670 -3.409 1.00 1.35 H new ATOM 451 N GLN A 31 -6.184 14.999 -3.896 1.00 0.82 N ATOM 452 CA GLN A 31 -4.958 14.624 -3.178 1.00 0.80 C ATOM 453 C GLN A 31 -5.027 14.975 -1.681 1.00 0.83 C ATOM 454 O GLN A 31 -5.546 16.026 -1.290 1.00 1.04 O ATOM 455 CB GLN A 31 -3.718 15.207 -3.873 1.00 0.88 C ATOM 456 CG GLN A 31 -3.603 14.777 -5.346 1.00 1.13 C ATOM 457 CD GLN A 31 -2.152 14.619 -5.723 1.00 1.30 C ATOM 458 OE1 GLN A 31 -1.407 15.560 -5.981 1.00 1.60 O ATOM 459 NE2 GLN A 31 -1.672 13.417 -5.554 1.00 1.61 N ATOM 0 H GLN A 31 -6.195 15.962 -4.231 1.00 0.82 H new ATOM 0 HA GLN A 31 -4.867 13.539 -3.218 1.00 0.80 H new ATOM 0 HB2 GLN A 31 -3.754 16.295 -3.819 1.00 0.88 H new ATOM 0 HB3 GLN A 31 -2.824 14.891 -3.336 1.00 0.88 H new ATOM 0 HG2 GLN A 31 -4.133 13.837 -5.502 1.00 1.13 H new ATOM 0 HG3 GLN A 31 -4.076 15.520 -5.989 1.00 1.13 H new ATOM 0 HE21 GLN A 31 -2.300 12.642 -5.340 1.00 1.61 H new ATOM 0 HE22 GLN A 31 -0.669 13.252 -5.636 1.00 1.61 H new ATOM 468 N VAL A 32 -4.524 14.070 -0.835 1.00 0.73 N ATOM 469 CA VAL A 32 -4.646 14.105 0.636 1.00 0.75 C ATOM 470 C VAL A 32 -3.379 13.658 1.379 1.00 0.77 C ATOM 471 O VAL A 32 -2.473 13.055 0.798 1.00 0.81 O ATOM 472 CB VAL A 32 -5.833 13.234 1.113 1.00 0.79 C ATOM 473 CG1 VAL A 32 -7.180 13.724 0.572 1.00 0.77 C ATOM 474 CG2 VAL A 32 -5.675 11.744 0.776 1.00 0.88 C ATOM 0 H VAL A 32 -3.999 13.259 -1.164 1.00 0.73 H new ATOM 0 HA VAL A 32 -4.814 15.154 0.880 1.00 0.75 H new ATOM 0 HB VAL A 32 -5.821 13.342 2.198 1.00 0.79 H new ATOM 0 HG11 VAL A 32 -7.977 13.076 0.938 1.00 0.77 H new ATOM 0 HG12 VAL A 32 -7.358 14.745 0.910 1.00 0.77 H new ATOM 0 HG13 VAL A 32 -7.165 13.700 -0.518 1.00 0.77 H new ATOM 0 HG21 VAL A 32 -6.543 11.195 1.140 1.00 0.88 H new ATOM 0 HG22 VAL A 32 -5.595 11.622 -0.304 1.00 0.88 H new ATOM 0 HG23 VAL A 32 -4.775 11.357 1.253 1.00 0.88 H new ATOM 484 N ASP A 33 -3.339 13.943 2.681 1.00 0.85 N ATOM 485 CA ASP A 33 -2.384 13.378 3.648 1.00 0.89 C ATOM 486 C ASP A 33 -2.908 12.015 4.160 1.00 0.86 C ATOM 487 O ASP A 33 -4.121 11.805 4.232 1.00 0.87 O ATOM 488 CB ASP A 33 -2.157 14.387 4.788 1.00 1.02 C ATOM 489 CG ASP A 33 -1.120 13.919 5.815 1.00 1.83 C ATOM 490 OD1 ASP A 33 -1.436 13.066 6.669 1.00 3.21 O ATOM 491 OD2 ASP A 33 0.033 14.405 5.807 1.00 2.49 O ATOM 0 H ASP A 33 -3.993 14.597 3.112 1.00 0.85 H new ATOM 0 HA ASP A 33 -1.420 13.196 3.172 1.00 0.89 H new ATOM 0 HB2 ASP A 33 -1.834 15.338 4.363 1.00 1.02 H new ATOM 0 HB3 ASP A 33 -3.104 14.570 5.296 1.00 1.02 H new ATOM 496 N VAL A 34 -2.014 11.091 4.534 1.00 0.86 N ATOM 497 CA VAL A 34 -2.367 9.753 5.063 1.00 0.84 C ATOM 498 C VAL A 34 -3.261 9.783 6.319 1.00 0.93 C ATOM 499 O VAL A 34 -3.948 8.807 6.614 1.00 0.94 O ATOM 500 CB VAL A 34 -1.093 8.915 5.289 1.00 0.91 C ATOM 501 CG1 VAL A 34 -0.252 9.436 6.460 1.00 1.11 C ATOM 502 CG2 VAL A 34 -1.380 7.423 5.490 1.00 0.99 C ATOM 0 H VAL A 34 -1.008 11.247 4.480 1.00 0.86 H new ATOM 0 HA VAL A 34 -2.980 9.274 4.300 1.00 0.84 H new ATOM 0 HB VAL A 34 -0.521 9.026 4.368 1.00 0.91 H new ATOM 0 HG11 VAL A 34 0.634 8.812 6.578 1.00 1.11 H new ATOM 0 HG12 VAL A 34 0.052 10.464 6.261 1.00 1.11 H new ATOM 0 HG13 VAL A 34 -0.843 9.403 7.375 1.00 1.11 H new ATOM 0 HG21 VAL A 34 -0.442 6.890 5.644 1.00 0.99 H new ATOM 0 HG22 VAL A 34 -2.020 7.290 6.362 1.00 0.99 H new ATOM 0 HG23 VAL A 34 -1.882 7.027 4.607 1.00 0.99 H new ATOM 512 N GLU A 35 -3.319 10.902 7.045 1.00 1.06 N ATOM 513 CA GLU A 35 -4.251 11.100 8.166 1.00 1.20 C ATOM 514 C GLU A 35 -5.714 11.318 7.730 1.00 1.15 C ATOM 515 O GLU A 35 -6.629 11.103 8.528 1.00 1.25 O ATOM 516 CB GLU A 35 -3.780 12.274 9.018 1.00 1.47 C ATOM 517 CG GLU A 35 -2.481 11.971 9.774 1.00 2.01 C ATOM 518 CD GLU A 35 -1.995 13.211 10.525 1.00 2.62 C ATOM 519 OE1 GLU A 35 -2.534 13.487 11.627 1.00 2.92 O ATOM 520 OE2 GLU A 35 -1.107 13.931 10.000 1.00 3.82 O ATOM 0 H GLU A 35 -2.716 11.706 6.872 1.00 1.06 H new ATOM 0 HA GLU A 35 -4.243 10.176 8.744 1.00 1.20 H new ATOM 0 HB2 GLU A 35 -3.630 13.144 8.379 1.00 1.47 H new ATOM 0 HB3 GLU A 35 -4.560 12.535 9.733 1.00 1.47 H new ATOM 0 HG2 GLU A 35 -2.645 11.154 10.477 1.00 2.01 H new ATOM 0 HG3 GLU A 35 -1.715 11.640 9.073 1.00 2.01 H new ATOM 527 N LEU A 36 -5.957 11.745 6.486 1.00 1.05 N ATOM 528 CA LEU A 36 -7.269 12.203 5.995 1.00 1.05 C ATOM 529 C LEU A 36 -8.015 11.156 5.143 1.00 0.93 C ATOM 530 O LEU A 36 -9.187 11.340 4.805 1.00 0.98 O ATOM 531 CB LEU A 36 -7.080 13.525 5.225 1.00 1.11 C ATOM 532 CG LEU A 36 -6.257 14.612 5.948 1.00 1.23 C ATOM 533 CD1 LEU A 36 -6.159 15.858 5.068 1.00 1.31 C ATOM 534 CD2 LEU A 36 -6.852 15.016 7.297 1.00 1.31 C ATOM 0 H LEU A 36 -5.230 11.784 5.771 1.00 1.05 H new ATOM 0 HA LEU A 36 -7.908 12.363 6.863 1.00 1.05 H new ATOM 0 HB2 LEU A 36 -6.597 13.303 4.273 1.00 1.11 H new ATOM 0 HB3 LEU A 36 -8.064 13.934 4.995 1.00 1.11 H new ATOM 0 HG LEU A 36 -5.273 14.182 6.133 1.00 1.23 H new ATOM 0 HD11 LEU A 36 -5.577 16.622 5.583 1.00 1.31 H new ATOM 0 HD12 LEU A 36 -5.670 15.602 4.128 1.00 1.31 H new ATOM 0 HD13 LEU A 36 -7.160 16.239 4.865 1.00 1.31 H new ATOM 0 HD21 LEU A 36 -6.228 15.783 7.755 1.00 1.31 H new ATOM 0 HD22 LEU A 36 -7.858 15.408 7.148 1.00 1.31 H new ATOM 0 HD23 LEU A 36 -6.895 14.145 7.951 1.00 1.31 H new ATOM 546 N VAL A 37 -7.358 10.042 4.816 1.00 0.81 N ATOM 547 CA VAL A 37 -7.972 8.853 4.204 1.00 0.73 C ATOM 548 C VAL A 37 -8.534 7.940 5.302 1.00 0.85 C ATOM 549 O VAL A 37 -7.930 7.811 6.370 1.00 1.43 O ATOM 550 CB VAL A 37 -6.973 8.144 3.260 1.00 0.65 C ATOM 551 CG1 VAL A 37 -5.612 7.852 3.902 1.00 0.79 C ATOM 552 CG2 VAL A 37 -7.518 6.830 2.696 1.00 0.81 C ATOM 0 H VAL A 37 -6.356 9.935 4.972 1.00 0.81 H new ATOM 0 HA VAL A 37 -8.812 9.149 3.576 1.00 0.73 H new ATOM 0 HB VAL A 37 -6.834 8.865 2.454 1.00 0.65 H new ATOM 0 HG11 VAL A 37 -4.967 7.354 3.178 1.00 0.79 H new ATOM 0 HG12 VAL A 37 -5.150 8.788 4.216 1.00 0.79 H new ATOM 0 HG13 VAL A 37 -5.750 7.206 4.769 1.00 0.79 H new ATOM 0 HG21 VAL A 37 -6.773 6.378 2.041 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -7.742 6.147 3.516 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -8.428 7.027 2.129 1.00 0.81 H new ATOM 562 N GLN A 38 -9.687 7.314 5.053 1.00 0.79 N ATOM 563 CA GLN A 38 -10.344 6.383 5.979 1.00 0.77 C ATOM 564 C GLN A 38 -10.463 4.956 5.423 1.00 0.65 C ATOM 565 O GLN A 38 -10.329 4.720 4.218 1.00 0.67 O ATOM 566 CB GLN A 38 -11.720 6.931 6.403 1.00 0.96 C ATOM 567 CG GLN A 38 -12.784 6.981 5.288 1.00 2.61 C ATOM 568 CD GLN A 38 -14.169 6.736 5.844 1.00 3.01 C ATOM 569 OE1 GLN A 38 -14.736 5.656 5.716 1.00 4.42 O ATOM 570 NE2 GLN A 38 -14.732 7.701 6.516 1.00 2.30 N ATOM 0 H GLN A 38 -10.203 7.442 4.182 1.00 0.79 H new ATOM 0 HA GLN A 38 -9.703 6.309 6.858 1.00 0.77 H new ATOM 0 HB2 GLN A 38 -12.101 6.316 7.218 1.00 0.96 H new ATOM 0 HB3 GLN A 38 -11.585 7.938 6.799 1.00 0.96 H new ATOM 0 HG2 GLN A 38 -12.753 7.953 4.796 1.00 2.61 H new ATOM 0 HG3 GLN A 38 -12.556 6.232 4.530 1.00 2.61 H new ATOM 0 HE21 GLN A 38 -14.255 8.597 6.619 1.00 2.30 H new ATOM 0 HE22 GLN A 38 -15.649 7.560 6.939 1.00 2.30 H new ATOM 579 N ARG A 39 -10.828 4.009 6.298 1.00 0.67 N ATOM 580 CA ARG A 39 -11.085 2.579 6.008 1.00 0.80 C ATOM 581 C ARG A 39 -12.333 2.283 5.136 1.00 0.86 C ATOM 582 O ARG A 39 -12.948 1.220 5.242 1.00 1.69 O ATOM 583 CB ARG A 39 -11.057 1.807 7.340 1.00 1.04 C ATOM 584 CG ARG A 39 -12.327 1.985 8.184 1.00 1.12 C ATOM 585 CD ARG A 39 -12.063 1.520 9.613 1.00 1.48 C ATOM 586 NE ARG A 39 -13.318 1.362 10.370 1.00 1.54 N ATOM 587 CZ ARG A 39 -14.008 0.244 10.525 1.00 1.95 C ATOM 588 NH1 ARG A 39 -13.603 -0.924 10.117 1.00 2.69 N ATOM 589 NH2 ARG A 39 -15.170 0.287 11.099 1.00 2.23 N ATOM 0 H ARG A 39 -10.961 4.226 7.286 1.00 0.67 H new ATOM 0 HA ARG A 39 -10.286 2.223 5.358 1.00 0.80 H new ATOM 0 HB2 ARG A 39 -10.915 0.746 7.132 1.00 1.04 H new ATOM 0 HB3 ARG A 39 -10.196 2.135 7.922 1.00 1.04 H new ATOM 0 HG2 ARG A 39 -12.633 3.031 8.182 1.00 1.12 H new ATOM 0 HG3 ARG A 39 -13.147 1.412 7.750 1.00 1.12 H new ATOM 0 HD2 ARG A 39 -11.526 0.572 9.595 1.00 1.48 H new ATOM 0 HD3 ARG A 39 -11.420 2.241 10.118 1.00 1.48 H new ATOM 0 HE ARG A 39 -13.692 2.198 10.819 1.00 1.54 H new ATOM 0 HH11 ARG A 39 -12.703 -1.016 9.646 1.00 2.69 H new ATOM 0 HH12 ARG A 39 -14.186 -1.747 10.269 1.00 2.69 H new ATOM 0 HH21 ARG A 39 -15.544 1.178 11.426 1.00 2.23 H new ATOM 0 HH22 ARG A 39 -15.710 -0.570 11.223 1.00 2.23 H new ATOM 603 N GLY A 40 -12.709 3.232 4.283 1.00 0.84 N ATOM 604 CA GLY A 40 -13.822 3.159 3.335 1.00 0.79 C ATOM 605 C GLY A 40 -13.646 4.036 2.085 1.00 0.76 C ATOM 606 O GLY A 40 -14.619 4.259 1.365 1.00 0.84 O ATOM 0 H GLY A 40 -12.218 4.125 4.230 1.00 0.84 H new ATOM 0 HA2 GLY A 40 -13.950 2.123 3.022 1.00 0.79 H new ATOM 0 HA3 GLY A 40 -14.739 3.454 3.845 1.00 0.79 H new ATOM 610 N ASP A 41 -12.454 4.582 1.820 1.00 0.79 N ATOM 611 CA ASP A 41 -12.166 5.404 0.628 1.00 0.82 C ATOM 612 C ASP A 41 -11.616 4.572 -0.551 1.00 0.65 C ATOM 613 O ASP A 41 -10.976 3.532 -0.351 1.00 0.64 O ATOM 614 CB ASP A 41 -11.196 6.538 1.007 1.00 0.95 C ATOM 615 CG ASP A 41 -11.823 7.618 1.899 1.00 1.34 C ATOM 616 OD1 ASP A 41 -13.036 7.898 1.743 1.00 1.71 O ATOM 617 OD2 ASP A 41 -11.108 8.208 2.741 1.00 2.71 O ATOM 0 H ASP A 41 -11.647 4.467 2.433 1.00 0.79 H new ATOM 0 HA ASP A 41 -13.107 5.831 0.283 1.00 0.82 H new ATOM 0 HB2 ASP A 41 -10.335 6.110 1.521 1.00 0.95 H new ATOM 0 HB3 ASP A 41 -10.823 7.005 0.095 1.00 0.95 H new ATOM 622 N ILE A 42 -11.848 5.033 -1.785 1.00 0.64 N ATOM 623 CA ILE A 42 -11.307 4.436 -3.020 1.00 0.65 C ATOM 624 C ILE A 42 -10.118 5.258 -3.531 1.00 0.53 C ATOM 625 O ILE A 42 -10.259 6.451 -3.800 1.00 0.50 O ATOM 626 CB ILE A 42 -12.400 4.302 -4.101 1.00 0.85 C ATOM 627 CG1 ILE A 42 -13.618 3.479 -3.622 1.00 1.09 C ATOM 628 CG2 ILE A 42 -11.811 3.695 -5.391 1.00 0.91 C ATOM 629 CD1 ILE A 42 -13.329 2.045 -3.156 1.00 1.40 C ATOM 0 H ILE A 42 -12.431 5.851 -1.961 1.00 0.64 H new ATOM 0 HA ILE A 42 -10.954 3.431 -2.789 1.00 0.65 H new ATOM 0 HB ILE A 42 -12.763 5.308 -4.310 1.00 0.85 H new ATOM 0 HG12 ILE A 42 -14.093 4.016 -2.801 1.00 1.09 H new ATOM 0 HG13 ILE A 42 -14.342 3.435 -4.435 1.00 1.09 H new ATOM 0 HG21 ILE A 42 -12.595 3.607 -6.143 1.00 0.91 H new ATOM 0 HG22 ILE A 42 -11.018 4.341 -5.768 1.00 0.91 H new ATOM 0 HG23 ILE A 42 -11.403 2.707 -5.175 1.00 0.91 H new ATOM 0 HD11 ILE A 42 -14.259 1.569 -2.845 1.00 1.40 H new ATOM 0 HD12 ILE A 42 -12.888 1.478 -3.976 1.00 1.40 H new ATOM 0 HD13 ILE A 42 -12.634 2.068 -2.316 1.00 1.40 H new ATOM 641 N ILE A 43 -8.953 4.623 -3.670 1.00 0.52 N ATOM 642 CA ILE A 43 -7.664 5.252 -3.992 1.00 0.49 C ATOM 643 C ILE A 43 -7.246 5.011 -5.455 1.00 0.69 C ATOM 644 O ILE A 43 -7.680 4.049 -6.092 1.00 1.37 O ATOM 645 CB ILE A 43 -6.614 4.763 -2.952 1.00 0.52 C ATOM 646 CG1 ILE A 43 -7.057 5.038 -1.492 1.00 0.51 C ATOM 647 CG2 ILE A 43 -5.187 5.309 -3.153 1.00 0.66 C ATOM 648 CD1 ILE A 43 -7.374 6.506 -1.171 1.00 0.56 C ATOM 0 H ILE A 43 -8.875 3.612 -3.557 1.00 0.52 H new ATOM 0 HA ILE A 43 -7.747 6.336 -3.917 1.00 0.49 H new ATOM 0 HB ILE A 43 -6.570 3.689 -3.134 1.00 0.52 H new ATOM 0 HG12 ILE A 43 -7.941 4.437 -1.278 1.00 0.51 H new ATOM 0 HG13 ILE A 43 -6.269 4.698 -0.820 1.00 0.51 H new ATOM 0 HG21 ILE A 43 -4.532 4.910 -2.379 1.00 0.66 H new ATOM 0 HG22 ILE A 43 -4.817 5.007 -4.133 1.00 0.66 H new ATOM 0 HG23 ILE A 43 -5.202 6.397 -3.090 1.00 0.66 H new ATOM 0 HD11 ILE A 43 -7.674 6.594 -0.127 1.00 0.56 H new ATOM 0 HD12 ILE A 43 -6.488 7.116 -1.347 1.00 0.56 H new ATOM 0 HD13 ILE A 43 -8.185 6.852 -1.812 1.00 0.56 H new ATOM 660 N LYS A 44 -6.338 5.853 -5.964 1.00 0.51 N ATOM 661 CA LYS A 44 -5.737 5.761 -7.309 1.00 0.59 C ATOM 662 C LYS A 44 -4.207 5.841 -7.243 1.00 0.66 C ATOM 663 O LYS A 44 -3.673 6.725 -6.565 1.00 0.80 O ATOM 664 CB LYS A 44 -6.344 6.837 -8.218 1.00 0.85 C ATOM 665 CG LYS A 44 -5.870 6.595 -9.655 1.00 1.45 C ATOM 666 CD LYS A 44 -6.535 7.493 -10.690 1.00 1.92 C ATOM 667 CE LYS A 44 -7.990 7.108 -10.965 1.00 1.94 C ATOM 668 NZ LYS A 44 -8.473 7.692 -12.236 1.00 2.03 N ATOM 0 H LYS A 44 -5.985 6.649 -5.433 1.00 0.51 H new ATOM 0 HA LYS A 44 -5.969 4.787 -7.740 1.00 0.59 H new ATOM 0 HB2 LYS A 44 -7.432 6.802 -8.169 1.00 0.85 H new ATOM 0 HB3 LYS A 44 -6.041 7.829 -7.883 1.00 0.85 H new ATOM 0 HG2 LYS A 44 -4.791 6.744 -9.700 1.00 1.45 H new ATOM 0 HG3 LYS A 44 -6.059 5.554 -9.918 1.00 1.45 H new ATOM 0 HD2 LYS A 44 -6.497 8.526 -10.345 1.00 1.92 H new ATOM 0 HD3 LYS A 44 -5.970 7.446 -11.621 1.00 1.92 H new ATOM 0 HE2 LYS A 44 -8.079 6.022 -11.005 1.00 1.94 H new ATOM 0 HE3 LYS A 44 -8.620 7.450 -10.144 1.00 1.94 H new ATOM 0 HZ1 LYS A 44 -9.396 7.280 -12.479 1.00 2.03 H new ATOM 0 HZ2 LYS A 44 -8.571 8.722 -12.130 1.00 2.03 H new ATOM 0 HZ3 LYS A 44 -7.792 7.485 -12.994 1.00 2.03 H new ATOM 682 N VAL A 45 -3.502 4.942 -7.939 1.00 0.66 N ATOM 683 CA VAL A 45 -2.026 4.868 -7.946 1.00 0.70 C ATOM 684 C VAL A 45 -1.438 4.967 -9.362 1.00 0.72 C ATOM 685 O VAL A 45 -1.987 4.389 -10.308 1.00 0.76 O ATOM 686 CB VAL A 45 -1.552 3.603 -7.190 1.00 0.69 C ATOM 687 CG1 VAL A 45 -1.573 2.326 -8.038 1.00 0.75 C ATOM 688 CG2 VAL A 45 -0.128 3.760 -6.645 1.00 0.79 C ATOM 0 H VAL A 45 -3.942 4.232 -8.524 1.00 0.66 H new ATOM 0 HA VAL A 45 -1.642 5.739 -7.415 1.00 0.70 H new ATOM 0 HB VAL A 45 -2.273 3.501 -6.379 1.00 0.69 H new ATOM 0 HG11 VAL A 45 -1.227 1.485 -7.437 1.00 0.75 H new ATOM 0 HG12 VAL A 45 -2.590 2.134 -8.381 1.00 0.75 H new ATOM 0 HG13 VAL A 45 -0.917 2.450 -8.899 1.00 0.75 H new ATOM 0 HG21 VAL A 45 0.164 2.849 -6.122 1.00 0.79 H new ATOM 0 HG22 VAL A 45 0.560 3.940 -7.471 1.00 0.79 H new ATOM 0 HG23 VAL A 45 -0.094 4.602 -5.954 1.00 0.79 H new ATOM 698 N VAL A 46 -0.316 5.682 -9.497 1.00 0.71 N ATOM 699 CA VAL A 46 0.453 5.835 -10.752 1.00 0.67 C ATOM 700 C VAL A 46 1.618 4.824 -10.870 1.00 0.58 C ATOM 701 O VAL A 46 2.086 4.314 -9.846 1.00 0.64 O ATOM 702 CB VAL A 46 0.963 7.285 -10.925 1.00 0.81 C ATOM 703 CG1 VAL A 46 -0.189 8.297 -10.881 1.00 0.98 C ATOM 704 CG2 VAL A 46 2.018 7.687 -9.885 1.00 0.86 C ATOM 0 H VAL A 46 0.101 6.189 -8.716 1.00 0.71 H new ATOM 0 HA VAL A 46 -0.240 5.613 -11.564 1.00 0.67 H new ATOM 0 HB VAL A 46 1.435 7.304 -11.907 1.00 0.81 H new ATOM 0 HG11 VAL A 46 0.207 9.305 -11.006 1.00 0.98 H new ATOM 0 HG12 VAL A 46 -0.893 8.082 -11.685 1.00 0.98 H new ATOM 0 HG13 VAL A 46 -0.701 8.224 -9.921 1.00 0.98 H new ATOM 0 HG21 VAL A 46 2.332 8.715 -10.064 1.00 0.86 H new ATOM 0 HG22 VAL A 46 1.592 7.607 -8.885 1.00 0.86 H new ATOM 0 HG23 VAL A 46 2.880 7.025 -9.966 1.00 0.86 H new ATOM 714 N PRO A 47 2.140 4.543 -12.083 1.00 0.61 N ATOM 715 CA PRO A 47 3.315 3.686 -12.269 1.00 0.67 C ATOM 716 C PRO A 47 4.572 4.284 -11.610 1.00 0.66 C ATOM 717 O PRO A 47 4.854 5.481 -11.755 1.00 0.79 O ATOM 718 CB PRO A 47 3.489 3.511 -13.785 1.00 0.88 C ATOM 719 CG PRO A 47 2.178 4.002 -14.398 1.00 1.06 C ATOM 720 CD PRO A 47 1.631 4.985 -13.374 1.00 0.72 C ATOM 0 HA PRO A 47 3.171 2.721 -11.783 1.00 0.67 H new ATOM 0 HB2 PRO A 47 4.337 4.089 -14.153 1.00 0.88 H new ATOM 0 HB3 PRO A 47 3.678 2.469 -14.042 1.00 0.88 H new ATOM 0 HG2 PRO A 47 2.345 4.483 -15.362 1.00 1.06 H new ATOM 0 HG3 PRO A 47 1.485 3.178 -14.569 1.00 1.06 H new ATOM 0 HD2 PRO A 47 1.957 6.001 -13.595 1.00 0.72 H new ATOM 0 HD3 PRO A 47 0.541 4.991 -13.382 1.00 0.72 H new ATOM 728 N GLY A 48 5.328 3.464 -10.877 1.00 0.65 N ATOM 729 CA GLY A 48 6.472 3.869 -10.049 1.00 0.69 C ATOM 730 C GLY A 48 6.107 4.318 -8.624 1.00 0.71 C ATOM 731 O GLY A 48 7.006 4.461 -7.789 1.00 0.95 O ATOM 0 H GLY A 48 5.155 2.459 -10.841 1.00 0.65 H new ATOM 0 HA2 GLY A 48 7.170 3.034 -9.985 1.00 0.69 H new ATOM 0 HA3 GLY A 48 6.995 4.684 -10.549 1.00 0.69 H new ATOM 735 N GLY A 49 4.817 4.541 -8.335 1.00 0.60 N ATOM 736 CA GLY A 49 4.308 5.004 -7.039 1.00 0.65 C ATOM 737 C GLY A 49 4.119 3.898 -5.991 1.00 0.66 C ATOM 738 O GLY A 49 4.259 2.706 -6.273 1.00 0.99 O ATOM 0 H GLY A 49 4.076 4.399 -9.021 1.00 0.60 H new ATOM 0 HA2 GLY A 49 4.995 5.750 -6.640 1.00 0.65 H new ATOM 0 HA3 GLY A 49 3.352 5.503 -7.197 1.00 0.65 H new ATOM 742 N LYS A 50 3.781 4.301 -4.763 1.00 0.66 N ATOM 743 CA LYS A 50 3.636 3.428 -3.584 1.00 0.75 C ATOM 744 C LYS A 50 2.183 3.240 -3.147 1.00 0.84 C ATOM 745 O LYS A 50 1.344 4.130 -3.322 1.00 1.16 O ATOM 746 CB LYS A 50 4.437 4.021 -2.420 1.00 1.00 C ATOM 747 CG LYS A 50 5.951 4.048 -2.662 1.00 1.08 C ATOM 748 CD LYS A 50 6.621 4.703 -1.454 1.00 1.54 C ATOM 749 CE LYS A 50 8.141 4.566 -1.516 1.00 1.79 C ATOM 750 NZ LYS A 50 8.739 4.990 -0.231 1.00 2.70 N ATOM 0 H LYS A 50 3.593 5.281 -4.550 1.00 0.66 H new ATOM 0 HA LYS A 50 4.014 2.445 -3.866 1.00 0.75 H new ATOM 0 HB2 LYS A 50 4.090 5.037 -2.233 1.00 1.00 H new ATOM 0 HB3 LYS A 50 4.233 3.443 -1.519 1.00 1.00 H new ATOM 0 HG2 LYS A 50 6.331 3.036 -2.804 1.00 1.08 H new ATOM 0 HG3 LYS A 50 6.180 4.605 -3.571 1.00 1.08 H new ATOM 0 HD2 LYS A 50 6.351 5.758 -1.414 1.00 1.54 H new ATOM 0 HD3 LYS A 50 6.250 4.244 -0.537 1.00 1.54 H new ATOM 0 HE2 LYS A 50 8.413 3.532 -1.730 1.00 1.79 H new ATOM 0 HE3 LYS A 50 8.537 5.174 -2.329 1.00 1.79 H new ATOM 0 HZ1 LYS A 50 9.755 4.768 -0.231 1.00 2.70 H new ATOM 0 HZ2 LYS A 50 8.608 6.014 -0.109 1.00 2.70 H new ATOM 0 HZ3 LYS A 50 8.274 4.486 0.551 1.00 2.70 H new ATOM 764 N PHE A 51 1.909 2.112 -2.487 1.00 0.74 N ATOM 765 CA PHE A 51 0.634 1.850 -1.808 1.00 0.76 C ATOM 766 C PHE A 51 0.630 2.467 -0.387 1.00 0.79 C ATOM 767 O PHE A 51 1.491 2.105 0.419 1.00 0.84 O ATOM 768 CB PHE A 51 0.365 0.338 -1.781 1.00 0.75 C ATOM 769 CG PHE A 51 0.251 -0.279 -3.163 1.00 0.62 C ATOM 770 CD1 PHE A 51 -0.941 -0.155 -3.902 1.00 1.81 C ATOM 771 CD2 PHE A 51 1.350 -0.949 -3.730 1.00 1.40 C ATOM 772 CE1 PHE A 51 -1.034 -0.705 -5.194 1.00 1.74 C ATOM 773 CE2 PHE A 51 1.270 -1.468 -5.032 1.00 1.46 C ATOM 774 CZ PHE A 51 0.077 -1.354 -5.765 1.00 0.57 C ATOM 0 H PHE A 51 2.575 1.343 -2.407 1.00 0.74 H new ATOM 0 HA PHE A 51 -0.175 2.327 -2.361 1.00 0.76 H new ATOM 0 HB2 PHE A 51 1.169 -0.157 -1.236 1.00 0.75 H new ATOM 0 HB3 PHE A 51 -0.557 0.150 -1.230 1.00 0.75 H new ATOM 0 HD1 PHE A 51 -1.787 0.364 -3.476 1.00 1.81 H new ATOM 0 HD2 PHE A 51 2.260 -1.065 -3.161 1.00 1.40 H new ATOM 0 HE1 PHE A 51 -1.958 -0.629 -5.748 1.00 1.74 H new ATOM 0 HE2 PHE A 51 2.128 -1.956 -5.471 1.00 1.46 H new ATOM 0 HZ PHE A 51 0.012 -1.763 -6.763 1.00 0.57 H new ATOM 784 N PRO A 52 -0.311 3.372 -0.041 1.00 0.78 N ATOM 785 CA PRO A 52 -0.245 4.162 1.199 1.00 0.78 C ATOM 786 C PRO A 52 -0.832 3.489 2.456 1.00 0.74 C ATOM 787 O PRO A 52 -0.478 3.891 3.567 1.00 0.78 O ATOM 788 CB PRO A 52 -1.000 5.456 0.869 1.00 0.83 C ATOM 789 CG PRO A 52 -2.065 4.997 -0.127 1.00 0.83 C ATOM 790 CD PRO A 52 -1.338 3.916 -0.924 1.00 0.80 C ATOM 0 HA PRO A 52 0.799 4.310 1.475 1.00 0.78 H new ATOM 0 HB2 PRO A 52 -1.446 5.900 1.759 1.00 0.83 H new ATOM 0 HB3 PRO A 52 -0.340 6.207 0.435 1.00 0.83 H new ATOM 0 HG2 PRO A 52 -2.948 4.603 0.377 1.00 0.83 H new ATOM 0 HG3 PRO A 52 -2.401 5.814 -0.766 1.00 0.83 H new ATOM 0 HD2 PRO A 52 -2.030 3.136 -1.241 1.00 0.80 H new ATOM 0 HD3 PRO A 52 -0.892 4.333 -1.827 1.00 0.80 H new ATOM 798 N VAL A 53 -1.710 2.492 2.289 1.00 0.74 N ATOM 799 CA VAL A 53 -2.399 1.697 3.332 1.00 0.75 C ATOM 800 C VAL A 53 -2.721 0.303 2.765 1.00 0.82 C ATOM 801 O VAL A 53 -2.647 0.106 1.549 1.00 0.96 O ATOM 802 CB VAL A 53 -3.689 2.358 3.871 1.00 0.84 C ATOM 803 CG1 VAL A 53 -3.404 3.579 4.751 1.00 0.87 C ATOM 804 CG2 VAL A 53 -4.658 2.769 2.761 1.00 0.96 C ATOM 0 H VAL A 53 -1.983 2.192 1.353 1.00 0.74 H new ATOM 0 HA VAL A 53 -1.720 1.629 4.182 1.00 0.75 H new ATOM 0 HB VAL A 53 -4.158 1.583 4.477 1.00 0.84 H new ATOM 0 HG11 VAL A 53 -4.345 4.003 5.101 1.00 0.87 H new ATOM 0 HG12 VAL A 53 -2.801 3.278 5.607 1.00 0.87 H new ATOM 0 HG13 VAL A 53 -2.863 4.327 4.171 1.00 0.87 H new ATOM 0 HG21 VAL A 53 -5.543 3.227 3.202 1.00 0.96 H new ATOM 0 HG22 VAL A 53 -4.171 3.485 2.099 1.00 0.96 H new ATOM 0 HG23 VAL A 53 -4.951 1.888 2.190 1.00 0.96 H new ATOM 814 N ASP A 54 -3.025 -0.681 3.619 1.00 0.81 N ATOM 815 CA ASP A 54 -3.201 -2.084 3.205 1.00 0.81 C ATOM 816 C ASP A 54 -4.663 -2.419 2.827 1.00 0.78 C ATOM 817 O ASP A 54 -5.610 -1.998 3.501 1.00 0.90 O ATOM 818 CB ASP A 54 -2.546 -3.037 4.221 1.00 0.97 C ATOM 819 CG ASP A 54 -3.483 -3.746 5.192 1.00 0.80 C ATOM 820 OD1 ASP A 54 -4.217 -4.664 4.762 1.00 1.53 O ATOM 821 OD2 ASP A 54 -3.402 -3.530 6.418 1.00 1.70 O ATOM 0 H ASP A 54 -3.157 -0.530 4.619 1.00 0.81 H new ATOM 0 HA ASP A 54 -2.664 -2.241 2.270 1.00 0.81 H new ATOM 0 HB2 ASP A 54 -1.990 -3.795 3.669 1.00 0.97 H new ATOM 0 HB3 ASP A 54 -1.819 -2.469 4.802 1.00 0.97 H new ATOM 826 N GLY A 55 -4.857 -3.159 1.730 1.00 0.72 N ATOM 827 CA GLY A 55 -6.182 -3.435 1.162 1.00 0.71 C ATOM 828 C GLY A 55 -6.147 -4.169 -0.186 1.00 0.62 C ATOM 829 O GLY A 55 -5.136 -4.770 -0.552 1.00 0.70 O ATOM 0 H GLY A 55 -4.093 -3.587 1.207 1.00 0.72 H new ATOM 0 HA2 GLY A 55 -6.753 -4.032 1.873 1.00 0.71 H new ATOM 0 HA3 GLY A 55 -6.715 -2.492 1.036 1.00 0.71 H new ATOM 833 N ARG A 56 -7.262 -4.119 -0.925 1.00 0.59 N ATOM 834 CA ARG A 56 -7.515 -4.865 -2.170 1.00 0.58 C ATOM 835 C ARG A 56 -7.542 -3.964 -3.414 1.00 0.60 C ATOM 836 O ARG A 56 -8.189 -2.917 -3.435 1.00 0.58 O ATOM 837 CB ARG A 56 -8.810 -5.670 -1.968 1.00 0.64 C ATOM 838 CG ARG A 56 -9.210 -6.596 -3.130 1.00 0.72 C ATOM 839 CD ARG A 56 -10.428 -7.461 -2.768 1.00 0.84 C ATOM 840 NE ARG A 56 -11.587 -6.650 -2.336 1.00 1.87 N ATOM 841 CZ ARG A 56 -12.723 -6.421 -2.972 1.00 3.01 C ATOM 842 NH1 ARG A 56 -13.026 -6.937 -4.125 1.00 3.80 N ATOM 843 NH2 ARG A 56 -13.627 -5.641 -2.462 1.00 4.06 N ATOM 0 H ARG A 56 -8.052 -3.530 -0.661 1.00 0.59 H new ATOM 0 HA ARG A 56 -6.690 -5.548 -2.370 1.00 0.58 H new ATOM 0 HB2 ARG A 56 -8.703 -6.274 -1.067 1.00 0.64 H new ATOM 0 HB3 ARG A 56 -9.626 -4.970 -1.788 1.00 0.64 H new ATOM 0 HG2 ARG A 56 -9.437 -5.997 -4.012 1.00 0.72 H new ATOM 0 HG3 ARG A 56 -8.370 -7.240 -3.389 1.00 0.72 H new ATOM 0 HD2 ARG A 56 -10.711 -8.064 -3.631 1.00 0.84 H new ATOM 0 HD3 ARG A 56 -10.155 -8.153 -1.971 1.00 0.84 H new ATOM 0 HE ARG A 56 -11.497 -6.207 -1.422 1.00 1.87 H new ATOM 0 HH11 ARG A 56 -12.368 -7.560 -4.593 1.00 3.80 H new ATOM 0 HH12 ARG A 56 -13.921 -6.719 -4.562 1.00 3.80 H new ATOM 0 HH21 ARG A 56 -13.465 -5.195 -1.559 1.00 4.06 H new ATOM 0 HH22 ARG A 56 -14.499 -5.474 -2.965 1.00 4.06 H new ATOM 857 N VAL A 57 -6.855 -4.401 -4.467 1.00 0.73 N ATOM 858 CA VAL A 57 -6.798 -3.804 -5.810 1.00 0.73 C ATOM 859 C VAL A 57 -7.978 -4.323 -6.629 1.00 0.72 C ATOM 860 O VAL A 57 -8.247 -5.526 -6.626 1.00 0.77 O ATOM 861 CB VAL A 57 -5.470 -4.164 -6.513 1.00 0.83 C ATOM 862 CG1 VAL A 57 -5.346 -3.477 -7.880 1.00 0.90 C ATOM 863 CG2 VAL A 57 -4.245 -3.764 -5.677 1.00 0.94 C ATOM 0 H VAL A 57 -6.281 -5.242 -4.405 1.00 0.73 H new ATOM 0 HA VAL A 57 -6.851 -2.719 -5.723 1.00 0.73 H new ATOM 0 HB VAL A 57 -5.492 -5.247 -6.638 1.00 0.83 H new ATOM 0 HG11 VAL A 57 -4.399 -3.755 -8.342 1.00 0.90 H new ATOM 0 HG12 VAL A 57 -6.169 -3.792 -8.521 1.00 0.90 H new ATOM 0 HG13 VAL A 57 -5.382 -2.396 -7.748 1.00 0.90 H new ATOM 0 HG21 VAL A 57 -3.335 -4.037 -6.211 1.00 0.94 H new ATOM 0 HG22 VAL A 57 -4.257 -2.688 -5.506 1.00 0.94 H new ATOM 0 HG23 VAL A 57 -4.273 -4.284 -4.719 1.00 0.94 H new ATOM 873 N ILE A 58 -8.687 -3.432 -7.326 1.00 0.70 N ATOM 874 CA ILE A 58 -9.916 -3.762 -8.080 1.00 0.73 C ATOM 875 C ILE A 58 -10.017 -3.005 -9.420 1.00 0.73 C ATOM 876 O ILE A 58 -11.105 -2.757 -9.943 1.00 0.78 O ATOM 877 CB ILE A 58 -11.159 -3.526 -7.177 1.00 0.81 C ATOM 878 CG1 ILE A 58 -11.034 -2.192 -6.409 1.00 0.86 C ATOM 879 CG2 ILE A 58 -11.350 -4.683 -6.184 1.00 0.88 C ATOM 880 CD1 ILE A 58 -12.354 -1.701 -5.808 1.00 0.99 C ATOM 0 H ILE A 58 -8.427 -2.448 -7.388 1.00 0.70 H new ATOM 0 HA ILE A 58 -9.874 -4.817 -8.350 1.00 0.73 H new ATOM 0 HB ILE A 58 -12.033 -3.479 -7.827 1.00 0.81 H new ATOM 0 HG12 ILE A 58 -10.303 -2.311 -5.609 1.00 0.86 H new ATOM 0 HG13 ILE A 58 -10.647 -1.429 -7.084 1.00 0.86 H new ATOM 0 HG21 ILE A 58 -12.227 -4.491 -5.566 1.00 0.88 H new ATOM 0 HG22 ILE A 58 -11.490 -5.614 -6.733 1.00 0.88 H new ATOM 0 HG23 ILE A 58 -10.469 -4.766 -5.548 1.00 0.88 H new ATOM 0 HD11 ILE A 58 -12.187 -0.760 -5.284 1.00 0.99 H new ATOM 0 HD12 ILE A 58 -13.082 -1.549 -6.605 1.00 0.99 H new ATOM 0 HD13 ILE A 58 -12.733 -2.444 -5.107 1.00 0.99 H new ATOM 892 N GLU A 59 -8.871 -2.737 -10.046 1.00 0.72 N ATOM 893 CA GLU A 59 -8.729 -2.235 -11.417 1.00 0.78 C ATOM 894 C GLU A 59 -7.262 -2.369 -11.849 1.00 0.79 C ATOM 895 O GLU A 59 -6.374 -1.983 -11.087 1.00 0.82 O ATOM 896 CB GLU A 59 -9.140 -0.750 -11.481 1.00 0.88 C ATOM 897 CG GLU A 59 -9.149 -0.174 -12.903 1.00 1.48 C ATOM 898 CD GLU A 59 -10.205 -0.844 -13.787 1.00 1.59 C ATOM 899 OE1 GLU A 59 -11.412 -0.572 -13.588 1.00 1.99 O ATOM 900 OE2 GLU A 59 -9.833 -1.663 -14.658 1.00 3.04 O ATOM 0 H GLU A 59 -7.969 -2.870 -9.589 1.00 0.72 H new ATOM 0 HA GLU A 59 -9.372 -2.814 -12.081 1.00 0.78 H new ATOM 0 HB2 GLU A 59 -10.133 -0.638 -11.047 1.00 0.88 H new ATOM 0 HB3 GLU A 59 -8.456 -0.166 -10.866 1.00 0.88 H new ATOM 0 HG2 GLU A 59 -9.341 0.898 -12.859 1.00 1.48 H new ATOM 0 HG3 GLU A 59 -8.165 -0.303 -13.353 1.00 1.48 H new ATOM 907 N GLY A 60 -7.011 -2.838 -13.073 1.00 0.80 N ATOM 908 CA GLY A 60 -5.676 -2.821 -13.676 1.00 0.83 C ATOM 909 C GLY A 60 -4.766 -3.999 -13.303 1.00 0.87 C ATOM 910 O GLY A 60 -5.148 -4.929 -12.591 1.00 0.96 O ATOM 0 H GLY A 60 -7.729 -3.241 -13.675 1.00 0.80 H new ATOM 0 HA2 GLY A 60 -5.787 -2.799 -14.760 1.00 0.83 H new ATOM 0 HA3 GLY A 60 -5.178 -1.895 -13.388 1.00 0.83 H new ATOM 914 N HIS A 61 -3.535 -3.943 -13.810 1.00 0.86 N ATOM 915 CA HIS A 61 -2.567 -5.050 -13.780 1.00 0.88 C ATOM 916 C HIS A 61 -1.132 -4.545 -13.582 1.00 0.93 C ATOM 917 O HIS A 61 -0.669 -3.630 -14.271 1.00 1.17 O ATOM 918 CB HIS A 61 -2.714 -5.918 -15.044 1.00 0.97 C ATOM 919 CG HIS A 61 -2.642 -5.179 -16.363 1.00 1.11 C ATOM 920 ND1 HIS A 61 -3.696 -4.567 -17.004 1.00 1.61 N ATOM 921 CD2 HIS A 61 -1.549 -5.046 -17.177 1.00 1.95 C ATOM 922 CE1 HIS A 61 -3.253 -4.061 -18.164 1.00 1.73 C ATOM 923 NE2 HIS A 61 -1.941 -4.327 -18.322 1.00 1.93 N ATOM 0 H HIS A 61 -3.169 -3.107 -14.266 1.00 0.86 H new ATOM 0 HA HIS A 61 -2.787 -5.678 -12.917 1.00 0.88 H new ATOM 0 HB2 HIS A 61 -1.933 -6.679 -15.032 1.00 0.97 H new ATOM 0 HB3 HIS A 61 -3.669 -6.441 -14.994 1.00 0.97 H new ATOM 0 HD2 HIS A 61 -0.559 -5.427 -16.976 1.00 1.95 H new ATOM 0 HE1 HIS A 61 -3.861 -3.517 -18.872 1.00 1.73 H new ATOM 0 HE2 HIS A 61 -1.352 -4.061 -19.111 1.00 1.93 H new ATOM 931 N SER A 62 -0.440 -5.049 -12.555 1.00 0.99 N ATOM 932 CA SER A 62 0.943 -4.646 -12.246 1.00 1.03 C ATOM 933 C SER A 62 1.808 -5.728 -11.600 1.00 1.04 C ATOM 934 O SER A 62 1.292 -6.708 -11.075 1.00 1.09 O ATOM 935 CB SER A 62 0.918 -3.376 -11.391 1.00 1.02 C ATOM 936 OG SER A 62 0.635 -2.277 -12.237 1.00 1.15 O ATOM 0 H SER A 62 -0.818 -5.746 -11.914 1.00 0.99 H new ATOM 0 HA SER A 62 1.427 -4.457 -13.204 1.00 1.03 H new ATOM 0 HB2 SER A 62 0.162 -3.459 -10.610 1.00 1.02 H new ATOM 0 HB3 SER A 62 1.877 -3.235 -10.893 1.00 1.02 H new ATOM 0 HG SER A 62 0.276 -2.604 -13.088 1.00 1.15 H new ATOM 942 N MET A 63 3.125 -5.498 -11.562 1.00 1.03 N ATOM 943 CA MET A 63 4.099 -6.294 -10.810 1.00 1.05 C ATOM 944 C MET A 63 4.710 -5.417 -9.702 1.00 0.95 C ATOM 945 O MET A 63 5.282 -4.357 -9.972 1.00 1.10 O ATOM 946 CB MET A 63 5.111 -6.893 -11.796 1.00 1.13 C ATOM 947 CG MET A 63 6.133 -7.810 -11.118 1.00 1.17 C ATOM 948 SD MET A 63 6.929 -9.015 -12.219 1.00 1.31 S ATOM 949 CE MET A 63 5.607 -10.251 -12.362 1.00 1.31 C ATOM 0 H MET A 63 3.556 -4.726 -12.071 1.00 1.03 H new ATOM 0 HA MET A 63 3.640 -7.141 -10.299 1.00 1.05 H new ATOM 0 HB2 MET A 63 4.576 -7.456 -12.560 1.00 1.13 H new ATOM 0 HB3 MET A 63 5.637 -6.085 -12.305 1.00 1.13 H new ATOM 0 HG2 MET A 63 6.906 -7.193 -10.660 1.00 1.17 H new ATOM 0 HG3 MET A 63 5.636 -8.349 -10.311 1.00 1.17 H new ATOM 0 HE1 MET A 63 5.937 -11.064 -13.009 1.00 1.31 H new ATOM 0 HE2 MET A 63 5.371 -10.647 -11.374 1.00 1.31 H new ATOM 0 HE3 MET A 63 4.718 -9.786 -12.789 1.00 1.31 H new ATOM 959 N VAL A 64 4.528 -5.836 -8.448 1.00 0.82 N ATOM 960 CA VAL A 64 4.791 -5.052 -7.229 1.00 0.71 C ATOM 961 C VAL A 64 6.019 -5.551 -6.471 1.00 0.82 C ATOM 962 O VAL A 64 6.176 -6.748 -6.227 1.00 1.09 O ATOM 963 CB VAL A 64 3.530 -5.051 -6.335 1.00 0.70 C ATOM 964 CG1 VAL A 64 3.735 -4.400 -4.962 1.00 0.70 C ATOM 965 CG2 VAL A 64 2.391 -4.307 -7.049 1.00 0.63 C ATOM 0 H VAL A 64 4.178 -6.771 -8.240 1.00 0.82 H new ATOM 0 HA VAL A 64 5.018 -4.028 -7.524 1.00 0.71 H new ATOM 0 HB VAL A 64 3.289 -6.100 -6.164 1.00 0.70 H new ATOM 0 HG11 VAL A 64 2.803 -4.440 -4.397 1.00 0.70 H new ATOM 0 HG12 VAL A 64 4.513 -4.936 -4.418 1.00 0.70 H new ATOM 0 HG13 VAL A 64 4.035 -3.360 -5.093 1.00 0.70 H new ATOM 0 HG21 VAL A 64 1.503 -4.308 -6.417 1.00 0.63 H new ATOM 0 HG22 VAL A 64 2.695 -3.279 -7.246 1.00 0.63 H new ATOM 0 HG23 VAL A 64 2.165 -4.806 -7.992 1.00 0.63 H new ATOM 975 N ASP A 65 6.872 -4.621 -6.050 1.00 0.72 N ATOM 976 CA ASP A 65 8.099 -4.868 -5.295 1.00 0.85 C ATOM 977 C ASP A 65 7.796 -4.923 -3.784 1.00 0.83 C ATOM 978 O ASP A 65 8.048 -3.976 -3.034 1.00 1.06 O ATOM 979 CB ASP A 65 9.118 -3.785 -5.698 1.00 0.93 C ATOM 980 CG ASP A 65 10.527 -4.001 -5.140 1.00 1.11 C ATOM 981 OD1 ASP A 65 10.799 -5.049 -4.511 1.00 1.49 O ATOM 982 OD2 ASP A 65 11.395 -3.123 -5.357 1.00 2.20 O ATOM 0 H ASP A 65 6.721 -3.629 -6.234 1.00 0.72 H new ATOM 0 HA ASP A 65 8.534 -5.840 -5.529 1.00 0.85 H new ATOM 0 HB2 ASP A 65 9.174 -3.743 -6.786 1.00 0.93 H new ATOM 0 HB3 ASP A 65 8.752 -2.816 -5.360 1.00 0.93 H new ATOM 987 N GLU A 66 7.213 -6.036 -3.330 1.00 0.84 N ATOM 988 CA GLU A 66 6.914 -6.323 -1.913 1.00 0.85 C ATOM 989 C GLU A 66 8.007 -7.148 -1.203 1.00 0.74 C ATOM 990 O GLU A 66 7.849 -7.519 -0.040 1.00 0.88 O ATOM 991 CB GLU A 66 5.527 -6.987 -1.778 1.00 1.08 C ATOM 992 CG GLU A 66 5.415 -8.339 -2.497 1.00 0.99 C ATOM 993 CD GLU A 66 4.101 -9.061 -2.165 1.00 0.97 C ATOM 994 OE1 GLU A 66 3.036 -8.623 -2.660 1.00 1.39 O ATOM 995 OE2 GLU A 66 4.127 -10.067 -1.410 1.00 1.98 O ATOM 0 H GLU A 66 6.925 -6.790 -3.954 1.00 0.84 H new ATOM 0 HA GLU A 66 6.898 -5.362 -1.399 1.00 0.85 H new ATOM 0 HB2 GLU A 66 5.304 -7.129 -0.721 1.00 1.08 H new ATOM 0 HB3 GLU A 66 4.770 -6.311 -2.176 1.00 1.08 H new ATOM 0 HG2 GLU A 66 5.481 -8.183 -3.574 1.00 0.99 H new ATOM 0 HG3 GLU A 66 6.257 -8.971 -2.214 1.00 0.99 H new ATOM 1002 N SER A 67 9.127 -7.436 -1.875 1.00 0.72 N ATOM 1003 CA SER A 67 10.145 -8.390 -1.420 1.00 0.94 C ATOM 1004 C SER A 67 10.835 -8.038 -0.101 1.00 0.77 C ATOM 1005 O SER A 67 11.333 -8.938 0.573 1.00 0.93 O ATOM 1006 CB SER A 67 11.237 -8.561 -2.477 1.00 1.34 C ATOM 1007 OG SER A 67 10.751 -8.434 -3.798 1.00 3.01 O ATOM 0 H SER A 67 9.356 -7.003 -2.770 1.00 0.72 H new ATOM 0 HA SER A 67 9.582 -9.308 -1.254 1.00 0.94 H new ATOM 0 HB2 SER A 67 12.017 -7.818 -2.310 1.00 1.34 H new ATOM 0 HB3 SER A 67 11.700 -9.541 -2.358 1.00 1.34 H new ATOM 0 HG SER A 67 11.490 -8.550 -4.431 1.00 3.01 H new ATOM 1013 N LEU A 68 10.872 -6.765 0.301 1.00 0.76 N ATOM 1014 CA LEU A 68 11.377 -6.345 1.618 1.00 0.92 C ATOM 1015 C LEU A 68 10.369 -6.647 2.748 1.00 0.98 C ATOM 1016 O LEU A 68 10.759 -6.801 3.906 1.00 1.30 O ATOM 1017 CB LEU A 68 11.768 -4.853 1.491 1.00 1.09 C ATOM 1018 CG LEU A 68 12.455 -4.131 2.671 1.00 1.27 C ATOM 1019 CD1 LEU A 68 11.473 -3.551 3.692 1.00 1.58 C ATOM 1020 CD2 LEU A 68 13.493 -4.982 3.399 1.00 0.99 C ATOM 0 H LEU A 68 10.551 -5.989 -0.279 1.00 0.76 H new ATOM 0 HA LEU A 68 12.258 -6.918 1.908 1.00 0.92 H new ATOM 0 HB2 LEU A 68 12.428 -4.763 0.628 1.00 1.09 H new ATOM 0 HB3 LEU A 68 10.859 -4.299 1.257 1.00 1.09 H new ATOM 0 HG LEU A 68 12.975 -3.305 2.185 1.00 1.27 H new ATOM 0 HD11 LEU A 68 12.027 -3.059 4.491 1.00 1.58 H new ATOM 0 HD12 LEU A 68 10.824 -2.826 3.201 1.00 1.58 H new ATOM 0 HD13 LEU A 68 10.867 -4.354 4.111 1.00 1.58 H new ATOM 0 HD21 LEU A 68 13.930 -4.405 4.214 1.00 0.99 H new ATOM 0 HD22 LEU A 68 13.014 -5.874 3.803 1.00 0.99 H new ATOM 0 HD23 LEU A 68 14.277 -5.276 2.701 1.00 0.99 H new ATOM 1032 N ILE A 69 9.085 -6.813 2.421 1.00 0.88 N ATOM 1033 CA ILE A 69 8.034 -7.171 3.382 1.00 1.04 C ATOM 1034 C ILE A 69 7.936 -8.695 3.547 1.00 1.18 C ATOM 1035 O ILE A 69 7.948 -9.194 4.670 1.00 1.31 O ATOM 1036 CB ILE A 69 6.646 -6.600 2.994 1.00 1.05 C ATOM 1037 CG1 ILE A 69 6.629 -5.237 2.252 1.00 0.92 C ATOM 1038 CG2 ILE A 69 5.799 -6.589 4.285 1.00 1.40 C ATOM 1039 CD1 ILE A 69 6.800 -3.991 3.117 1.00 0.85 C ATOM 0 H ILE A 69 8.739 -6.701 1.468 1.00 0.88 H new ATOM 0 HA ILE A 69 8.324 -6.719 4.331 1.00 1.04 H new ATOM 0 HB ILE A 69 6.223 -7.251 2.228 1.00 1.05 H new ATOM 0 HG12 ILE A 69 7.422 -5.245 1.504 1.00 0.92 H new ATOM 0 HG13 ILE A 69 5.685 -5.153 1.714 1.00 0.92 H new ATOM 0 HG21 ILE A 69 4.807 -6.194 4.066 1.00 1.40 H new ATOM 0 HG22 ILE A 69 5.708 -7.605 4.669 1.00 1.40 H new ATOM 0 HG23 ILE A 69 6.283 -5.960 5.032 1.00 1.40 H new ATOM 0 HD11 ILE A 69 6.771 -3.103 2.486 1.00 0.85 H new ATOM 0 HD12 ILE A 69 5.993 -3.942 3.849 1.00 0.85 H new ATOM 0 HD13 ILE A 69 7.758 -4.037 3.635 1.00 0.85 H new ATOM 1051 N THR A 70 7.859 -9.438 2.436 1.00 1.20 N ATOM 1052 CA THR A 70 7.607 -10.899 2.412 1.00 1.29 C ATOM 1053 C THR A 70 8.863 -11.756 2.218 1.00 1.34 C ATOM 1054 O THR A 70 8.810 -12.982 2.324 1.00 1.42 O ATOM 1055 CB THR A 70 6.559 -11.248 1.343 1.00 1.28 C ATOM 1056 OG1 THR A 70 6.935 -10.720 0.090 1.00 1.38 O ATOM 1057 CG2 THR A 70 5.194 -10.657 1.690 1.00 1.37 C ATOM 0 H THR A 70 7.972 -9.039 1.504 1.00 1.20 H new ATOM 0 HA THR A 70 7.228 -11.144 3.404 1.00 1.29 H new ATOM 0 HB THR A 70 6.499 -12.336 1.305 1.00 1.28 H new ATOM 0 HG1 THR A 70 6.132 -10.498 -0.426 1.00 1.38 H new ATOM 0 HG21 THR A 70 4.475 -10.922 0.915 1.00 1.37 H new ATOM 0 HG22 THR A 70 4.858 -11.055 2.647 1.00 1.37 H new ATOM 0 HG23 THR A 70 5.273 -9.572 1.756 1.00 1.37 H new ATOM 1065 N GLY A 71 10.007 -11.130 1.936 1.00 1.33 N ATOM 1066 CA GLY A 71 11.319 -11.774 1.816 1.00 1.40 C ATOM 1067 C GLY A 71 11.538 -12.577 0.523 1.00 1.44 C ATOM 1068 O GLY A 71 12.637 -13.083 0.313 1.00 1.61 O ATOM 0 H GLY A 71 10.048 -10.123 1.779 1.00 1.33 H new ATOM 0 HA2 GLY A 71 12.090 -11.007 1.883 1.00 1.40 H new ATOM 0 HA3 GLY A 71 11.458 -12.441 2.667 1.00 1.40 H new ATOM 1072 N GLU A 72 10.553 -12.664 -0.383 1.00 1.44 N ATOM 1073 CA GLU A 72 10.605 -13.448 -1.644 1.00 1.56 C ATOM 1074 C GLU A 72 11.733 -13.037 -2.629 1.00 1.54 C ATOM 1075 O GLU A 72 11.954 -13.708 -3.634 1.00 2.58 O ATOM 1076 CB GLU A 72 9.251 -13.336 -2.380 1.00 1.66 C ATOM 1077 CG GLU A 72 8.003 -13.829 -1.619 1.00 1.72 C ATOM 1078 CD GLU A 72 7.889 -15.354 -1.456 1.00 2.05 C ATOM 1079 OE1 GLU A 72 8.858 -16.114 -1.694 1.00 2.89 O ATOM 1080 OE2 GLU A 72 6.791 -15.833 -1.081 1.00 2.67 O ATOM 0 H GLU A 72 9.665 -12.177 -0.262 1.00 1.44 H new ATOM 0 HA GLU A 72 10.824 -14.470 -1.335 1.00 1.56 H new ATOM 0 HB2 GLU A 72 9.095 -12.291 -2.647 1.00 1.66 H new ATOM 0 HB3 GLU A 72 9.324 -13.896 -3.312 1.00 1.66 H new ATOM 0 HG2 GLU A 72 7.999 -13.374 -0.629 1.00 1.72 H new ATOM 0 HG3 GLU A 72 7.115 -13.469 -2.139 1.00 1.72 H new ATOM 1087 N ALA A 73 12.448 -11.948 -2.322 1.00 1.73 N ATOM 1088 CA ALA A 73 13.534 -11.279 -3.048 1.00 1.74 C ATOM 1089 C ALA A 73 13.299 -11.078 -4.555 1.00 1.65 C ATOM 1090 O ALA A 73 14.244 -11.031 -5.348 1.00 1.72 O ATOM 1091 CB ALA A 73 14.866 -11.926 -2.673 1.00 1.97 C ATOM 0 H ALA A 73 12.254 -11.455 -1.451 1.00 1.73 H new ATOM 0 HA ALA A 73 13.563 -10.241 -2.716 1.00 1.74 H new ATOM 0 HB1 ALA A 73 15.675 -11.431 -3.211 1.00 1.97 H new ATOM 0 HB2 ALA A 73 15.029 -11.827 -1.600 1.00 1.97 H new ATOM 0 HB3 ALA A 73 14.845 -12.982 -2.940 1.00 1.97 H new ATOM 1097 N MET A 74 12.027 -11.005 -4.943 1.00 1.72 N ATOM 1098 CA MET A 74 11.537 -10.990 -6.313 1.00 1.66 C ATOM 1099 C MET A 74 10.052 -10.557 -6.306 1.00 1.51 C ATOM 1100 O MET A 74 9.277 -11.069 -5.489 1.00 1.48 O ATOM 1101 CB MET A 74 11.763 -12.396 -6.900 1.00 1.85 C ATOM 1102 CG MET A 74 10.706 -12.863 -7.893 1.00 1.78 C ATOM 1103 SD MET A 74 11.149 -14.316 -8.881 1.00 2.24 S ATOM 1104 CE MET A 74 12.078 -13.519 -10.211 1.00 3.87 C ATOM 0 H MET A 74 11.267 -10.952 -4.264 1.00 1.72 H new ATOM 0 HA MET A 74 12.067 -10.274 -6.942 1.00 1.66 H new ATOM 0 HB2 MET A 74 12.735 -12.414 -7.393 1.00 1.85 H new ATOM 0 HB3 MET A 74 11.809 -13.112 -6.079 1.00 1.85 H new ATOM 0 HG2 MET A 74 9.790 -13.084 -7.345 1.00 1.78 H new ATOM 0 HG3 MET A 74 10.481 -12.040 -8.571 1.00 1.78 H new ATOM 0 HE1 MET A 74 12.427 -14.275 -10.915 1.00 3.87 H new ATOM 0 HE2 MET A 74 11.434 -12.810 -10.731 1.00 3.87 H new ATOM 0 HE3 MET A 74 12.934 -12.991 -9.791 1.00 3.87 H new ATOM 1114 N PRO A 75 9.632 -9.654 -7.212 1.00 1.53 N ATOM 1115 CA PRO A 75 8.319 -9.004 -7.180 1.00 1.57 C ATOM 1116 C PRO A 75 7.136 -9.938 -7.503 1.00 1.47 C ATOM 1117 O PRO A 75 7.307 -11.036 -8.048 1.00 1.56 O ATOM 1118 CB PRO A 75 8.434 -7.844 -8.173 1.00 1.75 C ATOM 1119 CG PRO A 75 9.440 -8.362 -9.199 1.00 1.55 C ATOM 1120 CD PRO A 75 10.425 -9.117 -8.309 1.00 1.58 C ATOM 0 HA PRO A 75 8.085 -8.669 -6.170 1.00 1.57 H new ATOM 0 HB2 PRO A 75 7.474 -7.611 -8.633 1.00 1.75 H new ATOM 0 HB3 PRO A 75 8.785 -6.933 -7.689 1.00 1.75 H new ATOM 0 HG2 PRO A 75 8.973 -9.013 -9.938 1.00 1.55 H new ATOM 0 HG3 PRO A 75 9.921 -7.552 -9.747 1.00 1.55 H new ATOM 0 HD2 PRO A 75 10.920 -9.915 -8.862 1.00 1.58 H new ATOM 0 HD3 PRO A 75 11.207 -8.453 -7.939 1.00 1.58 H new ATOM 1128 N VAL A 76 5.926 -9.497 -7.145 1.00 1.34 N ATOM 1129 CA VAL A 76 4.672 -10.282 -7.154 1.00 1.28 C ATOM 1130 C VAL A 76 3.607 -9.606 -8.026 1.00 1.24 C ATOM 1131 O VAL A 76 3.413 -8.392 -7.952 1.00 1.21 O ATOM 1132 CB VAL A 76 4.154 -10.482 -5.709 1.00 1.29 C ATOM 1133 CG1 VAL A 76 2.898 -11.359 -5.648 1.00 1.29 C ATOM 1134 CG2 VAL A 76 5.201 -11.161 -4.815 1.00 1.31 C ATOM 0 H VAL A 76 5.780 -8.540 -6.825 1.00 1.34 H new ATOM 0 HA VAL A 76 4.883 -11.261 -7.585 1.00 1.28 H new ATOM 0 HB VAL A 76 3.930 -9.476 -5.355 1.00 1.29 H new ATOM 0 HG11 VAL A 76 2.579 -11.466 -4.611 1.00 1.29 H new ATOM 0 HG12 VAL A 76 2.101 -10.893 -6.227 1.00 1.29 H new ATOM 0 HG13 VAL A 76 3.120 -12.342 -6.062 1.00 1.29 H new ATOM 0 HG21 VAL A 76 4.797 -11.283 -3.810 1.00 1.31 H new ATOM 0 HG22 VAL A 76 5.451 -12.139 -5.226 1.00 1.31 H new ATOM 0 HG23 VAL A 76 6.099 -10.544 -4.773 1.00 1.31 H new ATOM 1144 N ALA A 77 2.904 -10.377 -8.858 1.00 1.26 N ATOM 1145 CA ALA A 77 1.882 -9.868 -9.772 1.00 1.22 C ATOM 1146 C ALA A 77 0.530 -9.604 -9.077 1.00 1.15 C ATOM 1147 O ALA A 77 0.100 -10.362 -8.205 1.00 1.26 O ATOM 1148 CB ALA A 77 1.752 -10.833 -10.954 1.00 1.30 C ATOM 0 H ALA A 77 3.031 -11.387 -8.916 1.00 1.26 H new ATOM 0 HA ALA A 77 2.199 -8.892 -10.139 1.00 1.22 H new ATOM 0 HB1 ALA A 77 0.992 -10.464 -11.643 1.00 1.30 H new ATOM 0 HB2 ALA A 77 2.708 -10.904 -11.472 1.00 1.30 H new ATOM 0 HB3 ALA A 77 1.463 -11.819 -10.589 1.00 1.30 H new ATOM 1154 N LYS A 78 -0.146 -8.523 -9.481 1.00 1.01 N ATOM 1155 CA LYS A 78 -1.442 -8.046 -8.963 1.00 0.97 C ATOM 1156 C LYS A 78 -2.434 -7.795 -10.107 1.00 0.98 C ATOM 1157 O LYS A 78 -2.033 -7.433 -11.217 1.00 1.05 O ATOM 1158 CB LYS A 78 -1.249 -6.774 -8.112 1.00 0.97 C ATOM 1159 CG LYS A 78 -0.173 -6.859 -7.015 1.00 0.97 C ATOM 1160 CD LYS A 78 -0.479 -7.841 -5.872 1.00 0.98 C ATOM 1161 CE LYS A 78 0.737 -7.938 -4.942 1.00 0.98 C ATOM 1162 NZ LYS A 78 0.495 -8.844 -3.795 1.00 1.04 N ATOM 0 H LYS A 78 0.214 -7.920 -10.221 1.00 1.01 H new ATOM 0 HA LYS A 78 -1.861 -8.824 -8.325 1.00 0.97 H new ATOM 0 HB2 LYS A 78 -0.997 -5.949 -8.778 1.00 0.97 H new ATOM 0 HB3 LYS A 78 -2.201 -6.526 -7.642 1.00 0.97 H new ATOM 0 HG2 LYS A 78 0.772 -7.147 -7.477 1.00 0.97 H new ATOM 0 HG3 LYS A 78 -0.031 -5.865 -6.590 1.00 0.97 H new ATOM 0 HD2 LYS A 78 -1.352 -7.504 -5.313 1.00 0.98 H new ATOM 0 HD3 LYS A 78 -0.720 -8.824 -6.277 1.00 0.98 H new ATOM 0 HE2 LYS A 78 1.598 -8.294 -5.508 1.00 0.98 H new ATOM 0 HE3 LYS A 78 0.988 -6.944 -4.571 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 1.349 -8.891 -3.204 1.00 1.04 H new ATOM 0 HZ2 LYS A 78 -0.299 -8.482 -3.228 1.00 1.04 H new ATOM 0 HZ3 LYS A 78 0.264 -9.795 -4.147 1.00 1.04 H new ATOM 1176 N LYS A 79 -3.725 -7.978 -9.825 1.00 0.96 N ATOM 1177 CA LYS A 79 -4.887 -7.950 -10.742 1.00 0.97 C ATOM 1178 C LYS A 79 -6.140 -7.500 -9.953 1.00 0.92 C ATOM 1179 O LYS A 79 -6.041 -7.427 -8.724 1.00 0.92 O ATOM 1180 CB LYS A 79 -5.058 -9.357 -11.361 1.00 1.09 C ATOM 1181 CG LYS A 79 -5.219 -10.493 -10.331 1.00 2.41 C ATOM 1182 CD LYS A 79 -5.629 -11.825 -10.974 1.00 2.55 C ATOM 1183 CE LYS A 79 -4.660 -12.314 -12.062 1.00 2.60 C ATOM 1184 NZ LYS A 79 -5.005 -13.671 -12.542 1.00 2.84 N ATOM 0 H LYS A 79 -4.020 -8.167 -8.867 1.00 0.96 H new ATOM 0 HA LYS A 79 -4.736 -7.239 -11.554 1.00 0.97 H new ATOM 0 HB2 LYS A 79 -5.931 -9.349 -12.014 1.00 1.09 H new ATOM 0 HB3 LYS A 79 -4.193 -9.572 -11.988 1.00 1.09 H new ATOM 0 HG2 LYS A 79 -4.279 -10.627 -9.795 1.00 2.41 H new ATOM 0 HG3 LYS A 79 -5.968 -10.205 -9.593 1.00 2.41 H new ATOM 0 HD2 LYS A 79 -5.701 -12.586 -10.197 1.00 2.55 H new ATOM 0 HD3 LYS A 79 -6.623 -11.717 -11.408 1.00 2.55 H new ATOM 0 HE2 LYS A 79 -4.675 -11.618 -12.901 1.00 2.60 H new ATOM 0 HE3 LYS A 79 -3.644 -12.316 -11.668 1.00 2.60 H new ATOM 0 HZ1 LYS A 79 -4.327 -13.963 -13.275 1.00 2.84 H new ATOM 0 HZ2 LYS A 79 -4.966 -14.341 -11.747 1.00 2.84 H new ATOM 0 HZ3 LYS A 79 -5.965 -13.664 -12.942 1.00 2.84 H new ATOM 1198 N PRO A 80 -7.313 -7.223 -10.558 1.00 0.93 N ATOM 1199 CA PRO A 80 -8.536 -7.021 -9.778 1.00 0.94 C ATOM 1200 C PRO A 80 -8.863 -8.248 -8.902 1.00 0.98 C ATOM 1201 O PRO A 80 -8.775 -9.396 -9.347 1.00 1.12 O ATOM 1202 CB PRO A 80 -9.641 -6.676 -10.786 1.00 0.98 C ATOM 1203 CG PRO A 80 -9.096 -7.157 -12.131 1.00 0.99 C ATOM 1204 CD PRO A 80 -7.582 -7.024 -11.975 1.00 0.97 C ATOM 0 HA PRO A 80 -8.425 -6.206 -9.063 1.00 0.94 H new ATOM 0 HB2 PRO A 80 -10.577 -7.175 -10.535 1.00 0.98 H new ATOM 0 HB3 PRO A 80 -9.845 -5.605 -10.800 1.00 0.98 H new ATOM 0 HG2 PRO A 80 -9.389 -8.187 -12.337 1.00 0.99 H new ATOM 0 HG3 PRO A 80 -9.469 -6.549 -12.955 1.00 0.99 H new ATOM 0 HD2 PRO A 80 -7.059 -7.765 -12.580 1.00 0.97 H new ATOM 0 HD3 PRO A 80 -7.239 -6.043 -12.305 1.00 0.97 H new ATOM 1212 N GLY A 81 -9.213 -8.007 -7.636 1.00 0.95 N ATOM 1213 CA GLY A 81 -9.359 -9.048 -6.611 1.00 1.00 C ATOM 1214 C GLY A 81 -8.030 -9.537 -6.017 1.00 0.97 C ATOM 1215 O GLY A 81 -7.922 -10.709 -5.646 1.00 1.10 O ATOM 0 H GLY A 81 -9.406 -7.068 -7.287 1.00 0.95 H new ATOM 0 HA2 GLY A 81 -9.985 -8.664 -5.805 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -9.885 -9.898 -7.045 1.00 1.00 H new ATOM 1219 N SER A 82 -7.016 -8.667 -5.939 1.00 0.89 N ATOM 1220 CA SER A 82 -5.679 -8.975 -5.386 1.00 0.84 C ATOM 1221 C SER A 82 -5.341 -8.037 -4.226 1.00 0.80 C ATOM 1222 O SER A 82 -5.951 -6.977 -4.130 1.00 0.80 O ATOM 1223 CB SER A 82 -4.625 -8.845 -6.486 1.00 0.74 C ATOM 1224 OG SER A 82 -3.404 -9.412 -6.073 1.00 1.90 O ATOM 0 H SER A 82 -7.098 -7.704 -6.265 1.00 0.89 H new ATOM 0 HA SER A 82 -5.686 -9.997 -5.008 1.00 0.84 H new ATOM 0 HB2 SER A 82 -4.974 -9.341 -7.392 1.00 0.74 H new ATOM 0 HB3 SER A 82 -4.478 -7.794 -6.734 1.00 0.74 H new ATOM 0 HG SER A 82 -3.078 -10.026 -6.764 1.00 1.90 H new ATOM 1230 N THR A 83 -4.402 -8.369 -3.336 1.00 0.86 N ATOM 1231 CA THR A 83 -4.152 -7.585 -2.104 1.00 0.86 C ATOM 1232 C THR A 83 -2.742 -6.999 -2.023 1.00 0.88 C ATOM 1233 O THR A 83 -1.802 -7.516 -2.632 1.00 0.91 O ATOM 1234 CB THR A 83 -4.487 -8.379 -0.831 1.00 0.96 C ATOM 1235 OG1 THR A 83 -3.636 -9.498 -0.700 1.00 1.19 O ATOM 1236 CG2 THR A 83 -5.934 -8.883 -0.827 1.00 0.90 C ATOM 0 H THR A 83 -3.793 -9.181 -3.439 1.00 0.86 H new ATOM 0 HA THR A 83 -4.836 -6.739 -2.167 1.00 0.86 H new ATOM 0 HB THR A 83 -4.346 -7.691 0.002 1.00 0.96 H new ATOM 0 HG1 THR A 83 -3.864 -9.989 0.117 1.00 1.19 H new ATOM 0 HG21 THR A 83 -6.123 -9.438 0.092 1.00 0.90 H new ATOM 0 HG22 THR A 83 -6.615 -8.034 -0.885 1.00 0.90 H new ATOM 0 HG23 THR A 83 -6.094 -9.536 -1.685 1.00 0.90 H new ATOM 1244 N VAL A 84 -2.608 -5.913 -1.254 1.00 0.89 N ATOM 1245 CA VAL A 84 -1.355 -5.196 -0.956 1.00 1.01 C ATOM 1246 C VAL A 84 -1.209 -4.915 0.547 1.00 1.02 C ATOM 1247 O VAL A 84 -2.204 -4.769 1.263 1.00 0.95 O ATOM 1248 CB VAL A 84 -1.216 -3.896 -1.777 1.00 1.18 C ATOM 1249 CG1 VAL A 84 -1.077 -4.199 -3.273 1.00 1.21 C ATOM 1250 CG2 VAL A 84 -2.382 -2.915 -1.576 1.00 1.26 C ATOM 0 H VAL A 84 -3.412 -5.484 -0.796 1.00 0.89 H new ATOM 0 HA VAL A 84 -0.541 -5.856 -1.256 1.00 1.01 H new ATOM 0 HB VAL A 84 -0.311 -3.417 -1.403 1.00 1.18 H new ATOM 0 HG11 VAL A 84 -0.981 -3.265 -3.826 1.00 1.21 H new ATOM 0 HG12 VAL A 84 -0.191 -4.812 -3.439 1.00 1.21 H new ATOM 0 HG13 VAL A 84 -1.960 -4.736 -3.619 1.00 1.21 H new ATOM 0 HG21 VAL A 84 -2.217 -2.025 -2.183 1.00 1.26 H new ATOM 0 HG22 VAL A 84 -3.315 -3.392 -1.877 1.00 1.26 H new ATOM 0 HG23 VAL A 84 -2.442 -2.632 -0.525 1.00 1.26 H new ATOM 1260 N ILE A 85 0.040 -4.813 1.011 1.00 1.18 N ATOM 1261 CA ILE A 85 0.451 -4.624 2.422 1.00 1.36 C ATOM 1262 C ILE A 85 0.836 -3.194 2.826 1.00 1.88 C ATOM 1263 O ILE A 85 1.117 -2.965 3.998 1.00 4.06 O ATOM 1264 CB ILE A 85 1.599 -5.582 2.833 1.00 1.10 C ATOM 1265 CG1 ILE A 85 2.945 -5.379 2.104 1.00 1.66 C ATOM 1266 CG2 ILE A 85 1.171 -7.052 2.756 1.00 1.38 C ATOM 1267 CD1 ILE A 85 2.950 -5.382 0.576 1.00 0.86 C ATOM 0 H ILE A 85 0.843 -4.862 0.384 1.00 1.18 H new ATOM 0 HA ILE A 85 -0.463 -4.863 2.965 1.00 1.36 H new ATOM 0 HB ILE A 85 1.794 -5.306 3.869 1.00 1.10 H new ATOM 0 HG12 ILE A 85 3.362 -4.428 2.436 1.00 1.66 H new ATOM 0 HG13 ILE A 85 3.626 -6.161 2.440 1.00 1.66 H new ATOM 0 HG21 ILE A 85 2.004 -7.690 3.052 1.00 1.38 H new ATOM 0 HG22 ILE A 85 0.329 -7.221 3.427 1.00 1.38 H new ATOM 0 HG23 ILE A 85 0.875 -7.292 1.735 1.00 1.38 H new ATOM 0 HD11 ILE A 85 3.967 -5.228 0.215 1.00 0.86 H new ATOM 0 HD12 ILE A 85 2.577 -6.340 0.213 1.00 0.86 H new ATOM 0 HD13 ILE A 85 2.309 -4.580 0.208 1.00 0.86 H new ATOM 1279 N ALA A 86 0.797 -2.249 1.884 1.00 0.63 N ATOM 1280 CA ALA A 86 1.356 -0.894 1.991 1.00 0.66 C ATOM 1281 C ALA A 86 2.898 -0.837 1.997 1.00 0.62 C ATOM 1282 O ALA A 86 3.593 -1.826 2.232 1.00 0.61 O ATOM 1283 CB ALA A 86 0.747 -0.122 3.172 1.00 0.87 C ATOM 0 H ALA A 86 0.353 -2.413 0.980 1.00 0.63 H new ATOM 0 HA ALA A 86 1.063 -0.390 1.070 1.00 0.66 H new ATOM 0 HB1 ALA A 86 1.185 0.875 3.219 1.00 0.87 H new ATOM 0 HB2 ALA A 86 -0.331 -0.039 3.035 1.00 0.87 H new ATOM 0 HB3 ALA A 86 0.955 -0.654 4.100 1.00 0.87 H new ATOM 1289 N GLY A 87 3.440 0.340 1.678 1.00 0.75 N ATOM 1290 CA GLY A 87 4.877 0.602 1.571 1.00 0.86 C ATOM 1291 C GLY A 87 5.487 0.103 0.258 1.00 0.98 C ATOM 1292 O GLY A 87 6.248 0.835 -0.367 1.00 1.68 O ATOM 0 H GLY A 87 2.872 1.164 1.481 1.00 0.75 H new ATOM 0 HA2 GLY A 87 5.052 1.674 1.660 1.00 0.86 H new ATOM 0 HA3 GLY A 87 5.390 0.125 2.406 1.00 0.86 H new ATOM 1296 N SER A 88 5.134 -1.117 -0.171 1.00 0.69 N ATOM 1297 CA SER A 88 5.572 -1.709 -1.447 1.00 0.72 C ATOM 1298 C SER A 88 5.337 -0.799 -2.665 1.00 0.63 C ATOM 1299 O SER A 88 4.423 0.037 -2.696 1.00 0.61 O ATOM 1300 CB SER A 88 4.950 -3.097 -1.668 1.00 0.75 C ATOM 1301 OG SER A 88 3.538 -3.050 -1.763 1.00 1.30 O ATOM 0 H SER A 88 4.525 -1.733 0.368 1.00 0.69 H new ATOM 0 HA SER A 88 6.652 -1.823 -1.359 1.00 0.72 H new ATOM 0 HB2 SER A 88 5.358 -3.533 -2.580 1.00 0.75 H new ATOM 0 HB3 SER A 88 5.234 -3.754 -0.846 1.00 0.75 H new ATOM 0 HG SER A 88 3.189 -3.955 -1.905 1.00 1.30 H new ATOM 1307 N ILE A 89 6.190 -0.966 -3.681 1.00 0.72 N ATOM 1308 CA ILE A 89 6.249 -0.094 -4.863 1.00 0.68 C ATOM 1309 C ILE A 89 5.591 -0.778 -6.067 1.00 0.62 C ATOM 1310 O ILE A 89 5.842 -1.955 -6.335 1.00 0.70 O ATOM 1311 CB ILE A 89 7.699 0.344 -5.221 1.00 0.83 C ATOM 1312 CG1 ILE A 89 8.792 0.163 -4.136 1.00 0.82 C ATOM 1313 CG2 ILE A 89 7.671 1.801 -5.713 1.00 1.04 C ATOM 1314 CD1 ILE A 89 8.690 1.088 -2.916 1.00 0.85 C ATOM 0 H ILE A 89 6.872 -1.724 -3.707 1.00 0.72 H new ATOM 0 HA ILE A 89 5.697 0.811 -4.611 1.00 0.68 H new ATOM 0 HB ILE A 89 8.011 -0.355 -5.997 1.00 0.83 H new ATOM 0 HG12 ILE A 89 8.762 -0.869 -3.788 1.00 0.82 H new ATOM 0 HG13 ILE A 89 9.766 0.314 -4.601 1.00 0.82 H new ATOM 0 HG21 ILE A 89 8.682 2.119 -5.967 1.00 1.04 H new ATOM 0 HG22 ILE A 89 7.035 1.875 -6.595 1.00 1.04 H new ATOM 0 HG23 ILE A 89 7.276 2.443 -4.926 1.00 1.04 H new ATOM 0 HD11 ILE A 89 9.505 0.871 -2.226 1.00 0.85 H new ATOM 0 HD12 ILE A 89 8.756 2.127 -3.240 1.00 0.85 H new ATOM 0 HD13 ILE A 89 7.736 0.924 -2.414 1.00 0.85 H new ATOM 1326 N ASN A 90 4.781 -0.042 -6.822 1.00 0.59 N ATOM 1327 CA ASN A 90 4.260 -0.468 -8.120 1.00 0.55 C ATOM 1328 C ASN A 90 5.308 -0.172 -9.205 1.00 0.80 C ATOM 1329 O ASN A 90 5.777 0.960 -9.297 1.00 0.80 O ATOM 1330 CB ASN A 90 2.933 0.273 -8.370 1.00 0.51 C ATOM 1331 CG ASN A 90 2.287 -0.027 -9.713 1.00 0.78 C ATOM 1332 OD1 ASN A 90 2.804 -0.729 -10.567 1.00 1.90 O ATOM 1333 ND2 ASN A 90 1.124 0.524 -9.935 1.00 0.57 N ATOM 0 H ASN A 90 4.461 0.886 -6.545 1.00 0.59 H new ATOM 0 HA ASN A 90 4.064 -1.540 -8.142 1.00 0.55 H new ATOM 0 HB2 ASN A 90 2.231 0.013 -7.577 1.00 0.51 H new ATOM 0 HB3 ASN A 90 3.111 1.346 -8.298 1.00 0.51 H new ATOM 0 HD21 ASN A 90 0.647 0.368 -10.823 1.00 0.57 H new ATOM 0 HD22 ASN A 90 0.693 1.111 -9.221 1.00 0.57 H new ATOM 1340 N GLN A 91 5.639 -1.151 -10.055 1.00 1.19 N ATOM 1341 CA GLN A 91 6.495 -0.925 -11.220 1.00 1.40 C ATOM 1342 C GLN A 91 5.950 -1.583 -12.501 1.00 1.88 C ATOM 1343 O GLN A 91 6.565 -2.498 -13.057 1.00 3.28 O ATOM 1344 CB GLN A 91 7.941 -1.330 -10.903 1.00 2.11 C ATOM 1345 CG GLN A 91 8.895 -0.588 -11.849 1.00 2.39 C ATOM 1346 CD GLN A 91 9.102 0.855 -11.407 1.00 2.72 C ATOM 1347 OE1 GLN A 91 8.599 1.797 -12.010 1.00 3.44 O ATOM 1348 NE2 GLN A 91 9.806 1.073 -10.322 1.00 3.55 N ATOM 0 H GLN A 91 5.322 -2.115 -9.954 1.00 1.19 H new ATOM 0 HA GLN A 91 6.491 0.143 -11.436 1.00 1.40 H new ATOM 0 HB2 GLN A 91 8.179 -1.090 -9.867 1.00 2.11 H new ATOM 0 HB3 GLN A 91 8.062 -2.407 -11.017 1.00 2.11 H new ATOM 0 HG2 GLN A 91 9.855 -1.103 -11.878 1.00 2.39 H new ATOM 0 HG3 GLN A 91 8.493 -0.606 -12.862 1.00 2.39 H new ATOM 0 HE21 GLN A 91 10.225 0.290 -9.820 1.00 3.55 H new ATOM 0 HE22 GLN A 91 9.935 2.025 -9.980 1.00 3.55 H new ATOM 1357 N ASN A 92 4.778 -1.142 -12.966 1.00 1.46 N ATOM 1358 CA ASN A 92 4.239 -1.553 -14.269 1.00 1.84 C ATOM 1359 C ASN A 92 3.187 -0.601 -14.885 1.00 1.47 C ATOM 1360 O ASN A 92 3.361 -0.161 -16.025 1.00 2.30 O ATOM 1361 CB ASN A 92 3.657 -2.968 -14.131 1.00 2.80 C ATOM 1362 CG ASN A 92 3.194 -3.526 -15.464 1.00 3.41 C ATOM 1363 OD1 ASN A 92 3.997 -3.968 -16.265 1.00 4.24 O ATOM 1364 ND2 ASN A 92 1.919 -3.531 -15.772 1.00 3.33 N ATOM 0 H ASN A 92 4.178 -0.494 -12.455 1.00 1.46 H new ATOM 0 HA ASN A 92 5.075 -1.522 -14.968 1.00 1.84 H new ATOM 0 HB2 ASN A 92 4.410 -3.630 -13.703 1.00 2.80 H new ATOM 0 HB3 ASN A 92 2.818 -2.948 -13.435 1.00 2.80 H new ATOM 0 HD21 ASN A 92 1.613 -3.902 -16.672 1.00 3.33 H new ATOM 0 HD22 ASN A 92 1.233 -3.164 -15.112 1.00 3.33 H new ATOM 1371 N GLY A 93 2.096 -0.311 -14.161 1.00 1.32 N ATOM 1372 CA GLY A 93 0.909 0.356 -14.728 1.00 1.41 C ATOM 1373 C GLY A 93 -0.057 0.998 -13.719 1.00 1.31 C ATOM 1374 O GLY A 93 0.227 1.068 -12.526 1.00 2.12 O ATOM 0 H GLY A 93 2.009 -0.530 -13.169 1.00 1.32 H new ATOM 0 HA2 GLY A 93 1.248 1.129 -15.418 1.00 1.41 H new ATOM 0 HA3 GLY A 93 0.354 -0.375 -15.316 1.00 1.41 H new ATOM 1378 N SER A 94 -1.194 1.506 -14.206 1.00 0.84 N ATOM 1379 CA SER A 94 -2.138 2.341 -13.443 1.00 0.81 C ATOM 1380 C SER A 94 -3.278 1.517 -12.810 1.00 0.74 C ATOM 1381 O SER A 94 -3.938 0.735 -13.504 1.00 0.99 O ATOM 1382 CB SER A 94 -2.633 3.486 -14.352 1.00 1.14 C ATOM 1383 OG SER A 94 -3.712 3.110 -15.193 1.00 2.52 O ATOM 0 H SER A 94 -1.494 1.345 -15.167 1.00 0.84 H new ATOM 0 HA SER A 94 -1.624 2.782 -12.589 1.00 0.81 H new ATOM 0 HB2 SER A 94 -2.942 4.326 -13.730 1.00 1.14 H new ATOM 0 HB3 SER A 94 -1.805 3.834 -14.969 1.00 1.14 H new ATOM 0 HG SER A 94 -3.981 3.876 -15.742 1.00 2.52 H new ATOM 1389 N LEU A 95 -3.500 1.637 -11.491 1.00 0.67 N ATOM 1390 CA LEU A 95 -4.464 0.812 -10.728 1.00 0.63 C ATOM 1391 C LEU A 95 -5.321 1.634 -9.737 1.00 0.61 C ATOM 1392 O LEU A 95 -4.916 2.715 -9.297 1.00 0.62 O ATOM 1393 CB LEU A 95 -3.727 -0.261 -9.894 1.00 0.62 C ATOM 1394 CG LEU A 95 -2.453 -0.933 -10.423 1.00 0.86 C ATOM 1395 CD1 LEU A 95 -1.736 -1.612 -9.253 1.00 1.00 C ATOM 1396 CD2 LEU A 95 -2.794 -1.978 -11.471 1.00 1.05 C ATOM 0 H LEU A 95 -3.010 2.319 -10.912 1.00 0.67 H new ATOM 0 HA LEU A 95 -5.114 0.365 -11.481 1.00 0.63 H new ATOM 0 HB2 LEU A 95 -3.474 0.196 -8.937 1.00 0.62 H new ATOM 0 HB3 LEU A 95 -4.445 -1.055 -9.688 1.00 0.62 H new ATOM 0 HG LEU A 95 -1.814 -0.177 -10.879 1.00 0.86 H new ATOM 0 HD11 LEU A 95 -0.828 -2.095 -9.614 1.00 1.00 H new ATOM 0 HD12 LEU A 95 -1.477 -0.865 -8.502 1.00 1.00 H new ATOM 0 HD13 LEU A 95 -2.392 -2.360 -8.809 1.00 1.00 H new ATOM 0 HD21 LEU A 95 -1.877 -2.443 -11.833 1.00 1.05 H new ATOM 0 HD22 LEU A 95 -3.437 -2.740 -11.030 1.00 1.05 H new ATOM 0 HD23 LEU A 95 -3.313 -1.503 -12.303 1.00 1.05 H new ATOM 1408 N LEU A 96 -6.449 1.065 -9.288 1.00 0.61 N ATOM 1409 CA LEU A 96 -7.259 1.592 -8.174 1.00 0.64 C ATOM 1410 C LEU A 96 -7.383 0.568 -7.029 1.00 0.56 C ATOM 1411 O LEU A 96 -7.563 -0.632 -7.262 1.00 0.66 O ATOM 1412 CB LEU A 96 -8.656 2.064 -8.628 1.00 0.86 C ATOM 1413 CG LEU A 96 -8.710 3.399 -9.400 1.00 1.25 C ATOM 1414 CD1 LEU A 96 -8.224 3.281 -10.845 1.00 1.93 C ATOM 1415 CD2 LEU A 96 -10.157 3.897 -9.442 1.00 1.74 C ATOM 0 H LEU A 96 -6.833 0.211 -9.694 1.00 0.61 H new ATOM 0 HA LEU A 96 -6.726 2.466 -7.800 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -9.092 1.288 -9.257 1.00 0.86 H new ATOM 0 HB3 LEU A 96 -9.290 2.153 -7.746 1.00 0.86 H new ATOM 0 HG LEU A 96 -8.049 4.087 -8.873 1.00 1.25 H new ATOM 0 HD11 LEU A 96 -8.288 4.255 -11.331 1.00 1.93 H new ATOM 0 HD12 LEU A 96 -7.189 2.938 -10.854 1.00 1.93 H new ATOM 0 HD13 LEU A 96 -8.848 2.566 -11.381 1.00 1.93 H new ATOM 0 HD21 LEU A 96 -10.201 4.840 -9.986 1.00 1.74 H new ATOM 0 HD22 LEU A 96 -10.782 3.158 -9.944 1.00 1.74 H new ATOM 0 HD23 LEU A 96 -10.520 4.047 -8.425 1.00 1.74 H new ATOM 1427 N ILE A 97 -7.287 1.055 -5.785 1.00 0.46 N ATOM 1428 CA ILE A 97 -7.250 0.242 -4.553 1.00 0.43 C ATOM 1429 C ILE A 97 -8.311 0.711 -3.544 1.00 0.42 C ATOM 1430 O ILE A 97 -8.404 1.901 -3.254 1.00 0.42 O ATOM 1431 CB ILE A 97 -5.840 0.281 -3.906 1.00 0.46 C ATOM 1432 CG1 ILE A 97 -4.679 0.159 -4.921 1.00 0.65 C ATOM 1433 CG2 ILE A 97 -5.676 -0.855 -2.881 1.00 0.50 C ATOM 1434 CD1 ILE A 97 -4.155 1.512 -5.421 1.00 1.56 C ATOM 0 H ILE A 97 -7.231 2.056 -5.598 1.00 0.46 H new ATOM 0 HA ILE A 97 -7.476 -0.787 -4.832 1.00 0.43 H new ATOM 0 HB ILE A 97 -5.780 1.261 -3.432 1.00 0.46 H new ATOM 0 HG12 ILE A 97 -3.859 -0.390 -4.458 1.00 0.65 H new ATOM 0 HG13 ILE A 97 -5.015 -0.429 -5.775 1.00 0.65 H new ATOM 0 HG21 ILE A 97 -4.680 -0.807 -2.441 1.00 0.50 H new ATOM 0 HG22 ILE A 97 -6.425 -0.748 -2.096 1.00 0.50 H new ATOM 0 HG23 ILE A 97 -5.807 -1.816 -3.379 1.00 0.50 H new ATOM 0 HD11 ILE A 97 -3.343 1.348 -6.129 1.00 1.56 H new ATOM 0 HD12 ILE A 97 -4.962 2.055 -5.913 1.00 1.56 H new ATOM 0 HD13 ILE A 97 -3.788 2.095 -4.576 1.00 1.56 H new ATOM 1446 N CYS A 98 -9.082 -0.206 -2.954 1.00 0.46 N ATOM 1447 CA CYS A 98 -10.043 0.118 -1.894 1.00 0.47 C ATOM 1448 C CYS A 98 -9.394 0.016 -0.499 1.00 0.56 C ATOM 1449 O CYS A 98 -8.928 -1.049 -0.084 1.00 0.66 O ATOM 1450 CB CYS A 98 -11.327 -0.717 -2.064 1.00 0.53 C ATOM 1451 SG CYS A 98 -11.041 -2.511 -2.018 1.00 1.42 S ATOM 0 H CYS A 98 -9.058 -1.196 -3.198 1.00 0.46 H new ATOM 0 HA CYS A 98 -10.348 1.160 -1.984 1.00 0.47 H new ATOM 0 HB2 CYS A 98 -12.031 -0.450 -1.276 1.00 0.53 H new ATOM 0 HB3 CYS A 98 -11.796 -0.457 -3.013 1.00 0.53 H new ATOM 0 HG CYS A 98 -9.899 -2.783 -2.576 1.00 1.42 H new ATOM 1457 N ALA A 99 -9.352 1.124 0.246 1.00 0.59 N ATOM 1458 CA ALA A 99 -8.797 1.158 1.598 1.00 0.71 C ATOM 1459 C ALA A 99 -9.809 0.605 2.618 1.00 0.80 C ATOM 1460 O ALA A 99 -10.908 1.142 2.746 1.00 0.92 O ATOM 1461 CB ALA A 99 -8.386 2.600 1.925 1.00 0.77 C ATOM 0 H ALA A 99 -9.704 2.026 -0.075 1.00 0.59 H new ATOM 0 HA ALA A 99 -7.915 0.519 1.654 1.00 0.71 H new ATOM 0 HB1 ALA A 99 -7.970 2.640 2.932 1.00 0.77 H new ATOM 0 HB2 ALA A 99 -7.636 2.936 1.209 1.00 0.77 H new ATOM 0 HB3 ALA A 99 -9.260 3.249 1.867 1.00 0.77 H new ATOM 1467 N THR A 100 -9.436 -0.453 3.346 1.00 0.86 N ATOM 1468 CA THR A 100 -10.261 -1.087 4.403 1.00 0.98 C ATOM 1469 C THR A 100 -9.546 -1.204 5.751 1.00 0.87 C ATOM 1470 O THR A 100 -10.064 -1.834 6.676 1.00 0.87 O ATOM 1471 CB THR A 100 -10.807 -2.456 3.962 1.00 1.27 C ATOM 1472 OG1 THR A 100 -9.754 -3.276 3.502 1.00 1.78 O ATOM 1473 CG2 THR A 100 -11.836 -2.331 2.839 1.00 2.43 C ATOM 0 H THR A 100 -8.533 -0.910 3.221 1.00 0.86 H new ATOM 0 HA THR A 100 -11.102 -0.409 4.552 1.00 0.98 H new ATOM 0 HB THR A 100 -11.289 -2.897 4.835 1.00 1.27 H new ATOM 0 HG1 THR A 100 -10.113 -4.145 3.226 1.00 1.78 H new ATOM 0 HG21 THR A 100 -12.193 -3.323 2.561 1.00 2.43 H new ATOM 0 HG22 THR A 100 -12.676 -1.725 3.181 1.00 2.43 H new ATOM 0 HG23 THR A 100 -11.374 -1.856 1.974 1.00 2.43 H new ATOM 1481 N HIS A 101 -8.396 -0.542 5.901 1.00 0.85 N ATOM 1482 CA HIS A 101 -7.647 -0.384 7.148 1.00 0.83 C ATOM 1483 C HIS A 101 -7.114 1.053 7.206 1.00 0.89 C ATOM 1484 O HIS A 101 -6.591 1.552 6.208 1.00 0.86 O ATOM 1485 CB HIS A 101 -6.468 -1.373 7.192 1.00 0.86 C ATOM 1486 CG HIS A 101 -6.867 -2.797 6.917 1.00 1.02 C ATOM 1487 ND1 HIS A 101 -6.957 -3.386 5.675 1.00 1.39 N ATOM 1488 CD2 HIS A 101 -7.286 -3.716 7.836 1.00 1.19 C ATOM 1489 CE1 HIS A 101 -7.472 -4.616 5.828 1.00 1.61 C ATOM 1490 NE2 HIS A 101 -7.632 -4.883 7.138 1.00 1.46 N ATOM 0 H HIS A 101 -7.940 -0.078 5.115 1.00 0.85 H new ATOM 0 HA HIS A 101 -8.298 -0.586 7.999 1.00 0.83 H new ATOM 0 HB2 HIS A 101 -5.720 -1.066 6.461 1.00 0.86 H new ATOM 0 HB3 HIS A 101 -5.996 -1.320 8.173 1.00 0.86 H new ATOM 0 HD1 HIS A 101 -6.680 -2.960 4.791 1.00 1.39 H new ATOM 0 HD2 HIS A 101 -7.341 -3.571 8.905 1.00 1.19 H new ATOM 0 HE1 HIS A 101 -7.721 -5.290 5.022 1.00 1.61 H new ATOM 1498 N VAL A 102 -7.235 1.716 8.356 1.00 1.05 N ATOM 1499 CA VAL A 102 -6.576 3.005 8.609 1.00 1.20 C ATOM 1500 C VAL A 102 -5.096 2.772 8.949 1.00 1.21 C ATOM 1501 O VAL A 102 -4.728 1.662 9.337 1.00 1.18 O ATOM 1502 CB VAL A 102 -7.365 3.779 9.675 1.00 1.38 C ATOM 1503 CG1 VAL A 102 -7.088 3.265 11.087 1.00 2.73 C ATOM 1504 CG2 VAL A 102 -7.108 5.281 9.594 1.00 2.12 C ATOM 0 H VAL A 102 -7.792 1.378 9.141 1.00 1.05 H new ATOM 0 HA VAL A 102 -6.577 3.634 7.718 1.00 1.20 H new ATOM 0 HB VAL A 102 -8.419 3.603 9.459 1.00 1.38 H new ATOM 0 HG11 VAL A 102 -7.669 3.844 11.805 1.00 2.73 H new ATOM 0 HG12 VAL A 102 -7.371 2.215 11.154 1.00 2.73 H new ATOM 0 HG13 VAL A 102 -6.026 3.370 11.311 1.00 2.73 H new ATOM 0 HG21 VAL A 102 -7.685 5.791 10.365 1.00 2.12 H new ATOM 0 HG22 VAL A 102 -6.047 5.477 9.746 1.00 2.12 H new ATOM 0 HG23 VAL A 102 -7.408 5.649 8.613 1.00 2.12 H new ATOM 1514 N GLY A 103 -4.226 3.781 8.835 1.00 1.32 N ATOM 1515 CA GLY A 103 -2.767 3.595 8.898 1.00 1.40 C ATOM 1516 C GLY A 103 -2.229 2.955 10.183 1.00 1.37 C ATOM 1517 O GLY A 103 -1.261 2.194 10.114 1.00 1.40 O ATOM 0 H GLY A 103 -4.510 4.751 8.696 1.00 1.32 H new ATOM 0 HA2 GLY A 103 -2.462 2.978 8.053 1.00 1.40 H new ATOM 0 HA3 GLY A 103 -2.290 4.567 8.772 1.00 1.40 H new ATOM 1521 N ALA A 104 -2.849 3.194 11.344 1.00 1.40 N ATOM 1522 CA ALA A 104 -2.474 2.531 12.598 1.00 1.41 C ATOM 1523 C ALA A 104 -2.846 1.032 12.630 1.00 1.26 C ATOM 1524 O ALA A 104 -2.064 0.215 13.114 1.00 1.25 O ATOM 1525 CB ALA A 104 -3.124 3.292 13.757 1.00 1.63 C ATOM 0 H ALA A 104 -3.623 3.851 11.441 1.00 1.40 H new ATOM 0 HA ALA A 104 -1.388 2.556 12.689 1.00 1.41 H new ATOM 0 HB1 ALA A 104 -2.858 2.815 14.700 1.00 1.63 H new ATOM 0 HB2 ALA A 104 -2.770 4.323 13.759 1.00 1.63 H new ATOM 0 HB3 ALA A 104 -4.207 3.280 13.638 1.00 1.63 H new ATOM 1531 N ASP A 105 -4.021 0.669 12.106 1.00 1.25 N ATOM 1532 CA ASP A 105 -4.554 -0.704 12.001 1.00 1.25 C ATOM 1533 C ASP A 105 -3.886 -1.566 10.905 1.00 1.12 C ATOM 1534 O ASP A 105 -4.149 -2.768 10.803 1.00 1.22 O ATOM 1535 CB ASP A 105 -6.080 -0.614 11.831 1.00 1.49 C ATOM 1536 CG ASP A 105 -6.828 -1.942 12.013 1.00 1.70 C ATOM 1537 OD1 ASP A 105 -6.683 -2.599 13.075 1.00 2.42 O ATOM 1538 OD2 ASP A 105 -7.644 -2.279 11.123 1.00 2.19 O ATOM 0 H ASP A 105 -4.666 1.359 11.721 1.00 1.25 H new ATOM 0 HA ASP A 105 -4.309 -1.234 12.921 1.00 1.25 H new ATOM 0 HB2 ASP A 105 -6.469 0.107 12.549 1.00 1.49 H new ATOM 0 HB3 ASP A 105 -6.298 -0.224 10.837 1.00 1.49 H new ATOM 1543 N THR A 106 -3.027 -0.975 10.066 1.00 1.05 N ATOM 1544 CA THR A 106 -2.367 -1.667 8.944 1.00 1.08 C ATOM 1545 C THR A 106 -1.533 -2.873 9.376 1.00 1.13 C ATOM 1546 O THR A 106 -0.921 -2.887 10.449 1.00 1.12 O ATOM 1547 CB THR A 106 -1.454 -0.746 8.116 1.00 1.07 C ATOM 1548 OG1 THR A 106 -0.460 -0.146 8.917 1.00 1.70 O ATOM 1549 CG2 THR A 106 -2.233 0.304 7.340 1.00 1.60 C ATOM 0 H THR A 106 -2.765 0.008 10.145 1.00 1.05 H new ATOM 0 HA THR A 106 -3.204 -2.005 8.332 1.00 1.08 H new ATOM 0 HB THR A 106 -0.960 -1.383 7.382 1.00 1.07 H new ATOM 0 HG1 THR A 106 -0.855 0.587 9.434 1.00 1.70 H new ATOM 0 HG21 THR A 106 -1.540 0.926 6.774 1.00 1.60 H new ATOM 0 HG22 THR A 106 -2.923 -0.188 6.654 1.00 1.60 H new ATOM 0 HG23 THR A 106 -2.795 0.927 8.035 1.00 1.60 H new ATOM 1557 N THR A 107 -1.447 -3.870 8.492 1.00 1.31 N ATOM 1558 CA THR A 107 -0.542 -5.022 8.646 1.00 1.40 C ATOM 1559 C THR A 107 0.925 -4.574 8.713 1.00 1.38 C ATOM 1560 O THR A 107 1.673 -5.069 9.550 1.00 1.37 O ATOM 1561 CB THR A 107 -0.811 -6.067 7.545 1.00 1.68 C ATOM 1562 OG1 THR A 107 -0.108 -7.272 7.751 1.00 1.84 O ATOM 1563 CG2 THR A 107 -0.433 -5.600 6.137 1.00 2.34 C ATOM 0 H THR A 107 -2.007 -3.905 7.640 1.00 1.31 H new ATOM 0 HA THR A 107 -0.747 -5.509 9.599 1.00 1.40 H new ATOM 0 HB THR A 107 -1.888 -6.217 7.615 1.00 1.68 H new ATOM 0 HG1 THR A 107 -0.315 -7.899 7.027 1.00 1.84 H new ATOM 0 HG21 THR A 107 -0.652 -6.391 5.420 1.00 2.34 H new ATOM 0 HG22 THR A 107 -1.008 -4.710 5.882 1.00 2.34 H new ATOM 0 HG23 THR A 107 0.631 -5.366 6.105 1.00 2.34 H new ATOM 1571 N LEU A 108 1.326 -3.542 7.958 1.00 1.41 N ATOM 1572 CA LEU A 108 2.677 -2.971 8.007 1.00 1.40 C ATOM 1573 C LEU A 108 3.060 -2.463 9.411 1.00 1.29 C ATOM 1574 O LEU A 108 4.128 -2.795 9.924 1.00 1.31 O ATOM 1575 CB LEU A 108 2.753 -1.839 6.966 1.00 1.49 C ATOM 1576 CG LEU A 108 4.187 -1.414 6.607 1.00 0.84 C ATOM 1577 CD1 LEU A 108 4.901 -2.491 5.791 1.00 1.35 C ATOM 1578 CD2 LEU A 108 4.144 -0.149 5.757 1.00 0.91 C ATOM 0 H LEU A 108 0.714 -3.076 7.289 1.00 1.41 H new ATOM 0 HA LEU A 108 3.399 -3.754 7.774 1.00 1.40 H new ATOM 0 HB2 LEU A 108 2.242 -2.159 6.058 1.00 1.49 H new ATOM 0 HB3 LEU A 108 2.213 -0.972 7.347 1.00 1.49 H new ATOM 0 HG LEU A 108 4.724 -1.249 7.541 1.00 0.84 H new ATOM 0 HD11 LEU A 108 5.912 -2.158 5.554 1.00 1.35 H new ATOM 0 HD12 LEU A 108 4.949 -3.414 6.369 1.00 1.35 H new ATOM 0 HD13 LEU A 108 4.352 -2.670 4.866 1.00 1.35 H new ATOM 0 HD21 LEU A 108 5.160 0.153 5.502 1.00 0.91 H new ATOM 0 HD22 LEU A 108 3.583 -0.344 4.843 1.00 0.91 H new ATOM 0 HD23 LEU A 108 3.658 0.650 6.317 1.00 0.91 H new ATOM 1590 N SER A 109 2.163 -1.708 10.054 1.00 1.21 N ATOM 1591 CA SER A 109 2.355 -1.218 11.427 1.00 1.14 C ATOM 1592 C SER A 109 2.255 -2.343 12.470 1.00 1.10 C ATOM 1593 O SER A 109 2.909 -2.263 13.510 1.00 1.12 O ATOM 1594 CB SER A 109 1.354 -0.092 11.718 1.00 1.15 C ATOM 1595 OG SER A 109 1.660 0.570 12.932 1.00 1.92 O ATOM 0 H SER A 109 1.279 -1.417 9.637 1.00 1.21 H new ATOM 0 HA SER A 109 3.368 -0.822 11.505 1.00 1.14 H new ATOM 0 HB2 SER A 109 1.363 0.626 10.898 1.00 1.15 H new ATOM 0 HB3 SER A 109 0.346 -0.504 11.770 1.00 1.15 H new ATOM 0 HG SER A 109 1.006 1.283 13.090 1.00 1.92 H new ATOM 1601 N GLN A 110 1.513 -3.423 12.186 1.00 1.11 N ATOM 1602 CA GLN A 110 1.412 -4.613 13.043 1.00 1.14 C ATOM 1603 C GLN A 110 2.710 -5.435 13.034 1.00 1.24 C ATOM 1604 O GLN A 110 3.170 -5.864 14.092 1.00 1.29 O ATOM 1605 CB GLN A 110 0.222 -5.467 12.566 1.00 1.19 C ATOM 1606 CG GLN A 110 -0.108 -6.685 13.438 1.00 1.30 C ATOM 1607 CD GLN A 110 -0.801 -6.285 14.724 1.00 1.36 C ATOM 1608 OE1 GLN A 110 -0.342 -6.532 15.832 1.00 1.56 O ATOM 1609 NE2 GLN A 110 -1.952 -5.671 14.633 1.00 1.39 N ATOM 0 H GLN A 110 0.954 -3.495 11.336 1.00 1.11 H new ATOM 0 HA GLN A 110 1.250 -4.292 14.072 1.00 1.14 H new ATOM 0 HB2 GLN A 110 -0.661 -4.830 12.512 1.00 1.19 H new ATOM 0 HB3 GLN A 110 0.428 -5.812 11.553 1.00 1.19 H new ATOM 0 HG2 GLN A 110 -0.746 -7.370 12.879 1.00 1.30 H new ATOM 0 HG3 GLN A 110 0.810 -7.224 13.672 1.00 1.30 H new ATOM 0 HE21 GLN A 110 -2.346 -5.459 13.716 1.00 1.39 H new ATOM 0 HE22 GLN A 110 -2.456 -5.404 15.479 1.00 1.39 H new ATOM 1618 N ILE A 111 3.324 -5.625 11.858 1.00 1.33 N ATOM 1619 CA ILE A 111 4.531 -6.450 11.679 1.00 1.49 C ATOM 1620 C ILE A 111 5.640 -5.993 12.628 1.00 1.48 C ATOM 1621 O ILE A 111 6.157 -6.802 13.397 1.00 1.62 O ATOM 1622 CB ILE A 111 4.969 -6.449 10.190 1.00 1.59 C ATOM 1623 CG1 ILE A 111 4.004 -7.333 9.365 1.00 1.68 C ATOM 1624 CG2 ILE A 111 6.415 -6.956 10.002 1.00 1.74 C ATOM 1625 CD1 ILE A 111 4.062 -7.085 7.852 1.00 1.79 C ATOM 0 H ILE A 111 2.992 -5.204 10.990 1.00 1.33 H new ATOM 0 HA ILE A 111 4.305 -7.484 11.940 1.00 1.49 H new ATOM 0 HB ILE A 111 4.934 -5.417 9.841 1.00 1.59 H new ATOM 0 HG12 ILE A 111 4.233 -8.381 9.559 1.00 1.68 H new ATOM 0 HG13 ILE A 111 2.985 -7.160 9.711 1.00 1.68 H new ATOM 0 HG21 ILE A 111 6.673 -6.936 8.943 1.00 1.74 H new ATOM 0 HG22 ILE A 111 7.101 -6.314 10.555 1.00 1.74 H new ATOM 0 HG23 ILE A 111 6.494 -7.977 10.375 1.00 1.74 H new ATOM 0 HD11 ILE A 111 3.356 -7.745 7.348 1.00 1.79 H new ATOM 0 HD12 ILE A 111 3.802 -6.047 7.643 1.00 1.79 H new ATOM 0 HD13 ILE A 111 5.070 -7.287 7.489 1.00 1.79 H new ATOM 1637 N VAL A 112 5.966 -4.697 12.672 1.00 1.33 N ATOM 1638 CA VAL A 112 7.018 -4.198 13.577 1.00 1.35 C ATOM 1639 C VAL A 112 6.630 -4.276 15.060 1.00 1.44 C ATOM 1640 O VAL A 112 7.491 -4.539 15.896 1.00 1.68 O ATOM 1641 CB VAL A 112 7.485 -2.781 13.195 1.00 1.26 C ATOM 1642 CG1 VAL A 112 8.041 -2.751 11.765 1.00 1.25 C ATOM 1643 CG2 VAL A 112 6.383 -1.721 13.302 1.00 1.16 C ATOM 0 H VAL A 112 5.524 -3.977 12.100 1.00 1.33 H new ATOM 0 HA VAL A 112 7.862 -4.874 13.444 1.00 1.35 H new ATOM 0 HB VAL A 112 8.262 -2.535 13.918 1.00 1.26 H new ATOM 0 HG11 VAL A 112 8.363 -1.739 11.521 1.00 1.25 H new ATOM 0 HG12 VAL A 112 8.890 -3.430 11.690 1.00 1.25 H new ATOM 0 HG13 VAL A 112 7.265 -3.063 11.066 1.00 1.25 H new ATOM 0 HG21 VAL A 112 6.785 -0.748 13.018 1.00 1.16 H new ATOM 0 HG22 VAL A 112 5.561 -1.983 12.636 1.00 1.16 H new ATOM 0 HG23 VAL A 112 6.019 -1.677 14.328 1.00 1.16 H new ATOM 1653 N LYS A 113 5.336 -4.177 15.400 1.00 1.37 N ATOM 1654 CA LYS A 113 4.853 -4.296 16.792 1.00 1.46 C ATOM 1655 C LYS A 113 4.957 -5.731 17.323 1.00 1.59 C ATOM 1656 O LYS A 113 5.101 -5.921 18.534 1.00 1.77 O ATOM 1657 CB LYS A 113 3.400 -3.790 16.898 1.00 1.47 C ATOM 1658 CG LYS A 113 3.274 -2.270 16.702 1.00 1.46 C ATOM 1659 CD LYS A 113 1.829 -1.812 16.436 1.00 1.77 C ATOM 1660 CE LYS A 113 1.057 -1.690 17.745 1.00 2.09 C ATOM 1661 NZ LYS A 113 -0.368 -1.341 17.526 1.00 2.35 N ATOM 0 H LYS A 113 4.592 -4.012 14.722 1.00 1.37 H new ATOM 0 HA LYS A 113 5.498 -3.675 17.413 1.00 1.46 H new ATOM 0 HB2 LYS A 113 2.789 -4.298 16.152 1.00 1.47 H new ATOM 0 HB3 LYS A 113 2.999 -4.059 17.875 1.00 1.47 H new ATOM 0 HG2 LYS A 113 3.652 -1.763 17.590 1.00 1.46 H new ATOM 0 HG3 LYS A 113 3.905 -1.964 15.868 1.00 1.46 H new ATOM 0 HD2 LYS A 113 1.835 -0.852 15.920 1.00 1.77 H new ATOM 0 HD3 LYS A 113 1.331 -2.524 15.778 1.00 1.77 H new ATOM 0 HE2 LYS A 113 1.119 -2.632 18.290 1.00 2.09 H new ATOM 0 HE3 LYS A 113 1.524 -0.929 18.370 1.00 2.09 H new ATOM 0 HZ1 LYS A 113 -0.853 -1.269 18.443 1.00 2.35 H new ATOM 0 HZ2 LYS A 113 -0.430 -0.429 17.029 1.00 2.35 H new ATOM 0 HZ3 LYS A 113 -0.822 -2.080 16.952 1.00 2.35 H new ATOM 1675 N LEU A 114 4.859 -6.733 16.442 1.00 1.59 N ATOM 1676 CA LEU A 114 5.166 -8.139 16.709 1.00 1.74 C ATOM 1677 C LEU A 114 6.676 -8.419 16.741 1.00 1.81 C ATOM 1678 O LEU A 114 7.181 -9.020 17.693 1.00 1.92 O ATOM 1679 CB LEU A 114 4.462 -9.002 15.643 1.00 1.79 C ATOM 1680 CG LEU A 114 2.993 -9.319 15.940 1.00 2.25 C ATOM 1681 CD1 LEU A 114 2.375 -10.074 14.763 1.00 2.34 C ATOM 1682 CD2 LEU A 114 2.843 -10.186 17.194 1.00 2.78 C ATOM 0 H LEU A 114 4.550 -6.577 15.482 1.00 1.59 H new ATOM 0 HA LEU A 114 4.797 -8.394 17.703 1.00 1.74 H new ATOM 0 HB2 LEU A 114 4.521 -8.489 14.683 1.00 1.79 H new ATOM 0 HB3 LEU A 114 5.007 -9.940 15.537 1.00 1.79 H new ATOM 0 HG LEU A 114 2.484 -8.369 16.102 1.00 2.25 H new ATOM 0 HD11 LEU A 114 1.330 -10.296 14.981 1.00 2.34 H new ATOM 0 HD12 LEU A 114 2.435 -9.460 13.865 1.00 2.34 H new ATOM 0 HD13 LEU A 114 2.918 -11.005 14.603 1.00 2.34 H new ATOM 0 HD21 LEU A 114 1.787 -10.389 17.372 1.00 2.78 H new ATOM 0 HD22 LEU A 114 3.375 -11.127 17.052 1.00 2.78 H new ATOM 0 HD23 LEU A 114 3.260 -9.660 18.052 1.00 2.78 H new ATOM 1694 N VAL A 115 7.402 -7.999 15.699 1.00 1.85 N ATOM 1695 CA VAL A 115 8.822 -8.336 15.485 1.00 2.13 C ATOM 1696 C VAL A 115 9.747 -7.637 16.484 1.00 2.28 C ATOM 1697 O VAL A 115 10.769 -8.212 16.862 1.00 2.63 O ATOM 1698 CB VAL A 115 9.235 -8.068 14.021 1.00 2.28 C ATOM 1699 CG1 VAL A 115 10.737 -8.256 13.764 1.00 2.70 C ATOM 1700 CG2 VAL A 115 8.517 -9.043 13.075 1.00 2.53 C ATOM 0 H VAL A 115 7.016 -7.405 14.965 1.00 1.85 H new ATOM 0 HA VAL A 115 8.935 -9.404 15.672 1.00 2.13 H new ATOM 0 HB VAL A 115 8.963 -7.029 13.837 1.00 2.28 H new ATOM 0 HG11 VAL A 115 10.955 -8.051 12.716 1.00 2.70 H new ATOM 0 HG12 VAL A 115 11.303 -7.569 14.393 1.00 2.70 H new ATOM 0 HG13 VAL A 115 11.021 -9.281 14.000 1.00 2.70 H new ATOM 0 HG21 VAL A 115 8.819 -8.841 12.047 1.00 2.53 H new ATOM 0 HG22 VAL A 115 8.784 -10.067 13.337 1.00 2.53 H new ATOM 0 HG23 VAL A 115 7.439 -8.913 13.169 1.00 2.53 H new ATOM 1710 N GLU A 116 9.390 -6.464 17.012 1.00 2.08 N ATOM 1711 CA GLU A 116 10.185 -5.831 18.071 1.00 2.31 C ATOM 1712 C GLU A 116 10.176 -6.666 19.363 1.00 2.63 C ATOM 1713 O GLU A 116 11.189 -6.723 20.058 1.00 3.05 O ATOM 1714 CB GLU A 116 9.693 -4.394 18.340 1.00 2.09 C ATOM 1715 CG GLU A 116 10.774 -3.575 19.060 1.00 2.38 C ATOM 1716 CD GLU A 116 10.461 -2.075 19.096 1.00 2.92 C ATOM 1717 OE1 GLU A 116 9.404 -1.678 19.640 1.00 3.14 O ATOM 1718 OE2 GLU A 116 11.297 -1.269 18.615 1.00 4.10 O ATOM 0 H GLU A 116 8.564 -5.936 16.728 1.00 2.08 H new ATOM 0 HA GLU A 116 11.217 -5.780 17.723 1.00 2.31 H new ATOM 0 HB2 GLU A 116 9.432 -3.912 17.398 1.00 2.09 H new ATOM 0 HB3 GLU A 116 8.787 -4.422 18.946 1.00 2.09 H new ATOM 0 HG2 GLU A 116 10.882 -3.943 20.080 1.00 2.38 H new ATOM 0 HG3 GLU A 116 11.731 -3.729 18.562 1.00 2.38 H new ATOM 1725 N GLU A 117 9.067 -7.346 19.685 1.00 2.51 N ATOM 1726 CA GLU A 117 8.987 -8.292 20.810 1.00 2.90 C ATOM 1727 C GLU A 117 9.560 -9.691 20.500 1.00 3.30 C ATOM 1728 O GLU A 117 9.754 -10.503 21.409 1.00 3.75 O ATOM 1729 CB GLU A 117 7.545 -8.378 21.332 1.00 2.63 C ATOM 1730 CG GLU A 117 6.966 -6.992 21.650 1.00 2.68 C ATOM 1731 CD GLU A 117 5.878 -7.073 22.720 1.00 3.04 C ATOM 1732 OE1 GLU A 117 4.697 -7.363 22.389 1.00 3.57 O ATOM 1733 OE2 GLU A 117 6.188 -6.830 23.909 1.00 3.50 O ATOM 0 H GLU A 117 8.192 -7.255 19.169 1.00 2.51 H new ATOM 0 HA GLU A 117 9.630 -7.891 21.594 1.00 2.90 H new ATOM 0 HB2 GLU A 117 6.919 -8.871 20.588 1.00 2.63 H new ATOM 0 HB3 GLU A 117 7.520 -8.996 22.229 1.00 2.63 H new ATOM 0 HG2 GLU A 117 7.764 -6.332 21.990 1.00 2.68 H new ATOM 0 HG3 GLU A 117 6.553 -6.552 20.742 1.00 2.68 H new ATOM 1740 N ALA A 118 9.795 -10.004 19.218 1.00 3.27 N ATOM 1741 CA ALA A 118 10.308 -11.298 18.759 1.00 3.85 C ATOM 1742 C ALA A 118 11.809 -11.505 19.049 1.00 4.42 C ATOM 1743 O ALA A 118 12.262 -12.648 19.133 1.00 5.35 O ATOM 1744 CB ALA A 118 9.997 -11.451 17.265 1.00 3.83 C ATOM 0 H ALA A 118 9.629 -9.347 18.455 1.00 3.27 H new ATOM 0 HA ALA A 118 9.803 -12.078 19.328 1.00 3.85 H new ATOM 0 HB1 ALA A 118 10.374 -12.411 16.911 1.00 3.83 H new ATOM 0 HB2 ALA A 118 8.919 -11.406 17.111 1.00 3.83 H new ATOM 0 HB3 ALA A 118 10.477 -10.645 16.709 1.00 3.83 H new ATOM 1750 N GLN A 119 12.559 -10.402 19.190 1.00 3.95 N ATOM 1751 CA GLN A 119 13.992 -10.305 19.509 1.00 4.43 C ATOM 1752 C GLN A 119 14.378 -10.906 20.871 1.00 5.21 C ATOM 1753 O GLN A 119 13.730 -10.587 21.897 1.00 5.05 O ATOM 1754 CB GLN A 119 14.388 -8.808 19.449 1.00 3.70 C ATOM 1755 CG GLN A 119 14.275 -8.051 18.111 1.00 3.35 C ATOM 1756 CD GLN A 119 14.399 -8.977 16.917 1.00 3.53 C ATOM 1757 OE1 GLN A 119 15.465 -9.473 16.573 1.00 4.13 O ATOM 1758 NE2 GLN A 119 13.285 -9.366 16.349 1.00 3.70 N ATOM 0 H GLN A 119 12.144 -9.477 19.074 1.00 3.95 H new ATOM 0 HA GLN A 119 14.537 -10.899 18.775 1.00 4.43 H new ATOM 0 HB2 GLN A 119 13.776 -8.278 20.178 1.00 3.70 H new ATOM 0 HB3 GLN A 119 15.422 -8.729 19.784 1.00 3.70 H new ATOM 0 HG2 GLN A 119 13.317 -7.533 18.069 1.00 3.35 H new ATOM 0 HG3 GLN A 119 15.053 -7.289 18.060 1.00 3.35 H new ATOM 0 HE21 GLN A 119 12.396 -8.954 16.634 1.00 3.70 H new ATOM 0 HE22 GLN A 119 13.306 -10.081 15.622 1.00 3.70 H new TER 1767 GLN A 119