USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot -140:sc= 0.697 USER MOD Set 1.2: A 64 SER OG : rot -171:sc= 0.786 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -3.27! C(o=-6.8!,f=-13!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 60 TYR OH : rot -37:sc= -3.5! USER MOD Single : A 14 SER OG : rot 37:sc= 0.392 USER MOD Single : A 17 CYS SG : rot 11:sc= 0.00646 USER MOD Single : A 18 SER OG : rot 93:sc= -0.0631! USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 23 MET CE :methyl -170:sc=-0.00322 (180deg=-0.113) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0403 K(o=-0.04,f=-2!) USER MOD Single : A 42 GLN :FLIP amide:sc= 0.214 F(o=-3.7!,f=0.21) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -146:sc= -2.32 (180deg=-5.51!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= -0.236 (180deg=-1.33!) USER MOD Single : A 72 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.41) USER MOD Single : A 76 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.00045) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 6.921 -1.177 -8.379 1.00 0.00 N ATOM 24 CA SER A 14 5.611 -1.713 -7.904 1.00 0.00 C ATOM 25 C SER A 14 5.385 -1.336 -6.436 1.00 0.00 C ATOM 26 O SER A 14 6.299 -0.955 -5.731 1.00 0.00 O ATOM 27 CB SER A 14 5.609 -3.234 -8.042 1.00 0.00 C ATOM 28 OG SER A 14 6.132 -3.589 -9.315 1.00 0.00 O ATOM 0 HA SER A 14 4.811 -1.284 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.209 -3.684 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.596 -3.620 -7.932 1.00 0.00 H new ATOM 0 HG SER A 14 6.861 -2.978 -9.551 1.00 0.00 H new ATOM 34 N ILE A 15 4.162 -1.448 -5.975 1.00 0.00 N ATOM 35 CA ILE A 15 3.832 -1.110 -4.550 1.00 0.00 C ATOM 36 C ILE A 15 3.260 -2.350 -3.861 1.00 0.00 C ATOM 37 O ILE A 15 2.365 -2.990 -4.369 1.00 0.00 O ATOM 38 CB ILE A 15 2.768 -0.008 -4.510 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.277 1.263 -5.212 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.425 0.313 -3.053 1.00 0.00 C ATOM 41 CD1 ILE A 15 4.619 1.717 -4.621 1.00 0.00 C ATOM 0 H ILE A 15 3.367 -1.763 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 15 4.737 -0.772 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 15 1.878 -0.360 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.391 1.073 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.541 2.060 -5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.668 1.097 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.041 -0.582 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.321 0.653 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.957 2.617 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.496 1.930 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.359 0.927 -4.749 1.00 0.00 H new ATOM 53 N TRP A 16 3.761 -2.691 -2.702 1.00 0.00 N ATOM 54 CA TRP A 16 3.234 -3.886 -1.972 1.00 0.00 C ATOM 55 C TRP A 16 3.238 -3.594 -0.470 1.00 0.00 C ATOM 56 O TRP A 16 4.217 -3.121 0.075 1.00 0.00 O ATOM 57 CB TRP A 16 4.121 -5.095 -2.269 1.00 0.00 C ATOM 58 CG TRP A 16 4.109 -5.365 -3.739 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.881 -4.726 -4.647 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.305 -6.327 -4.488 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.607 -5.233 -5.903 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.643 -6.221 -5.858 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.327 -7.271 -4.119 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.036 -7.023 -6.825 1.00 0.00 C ATOM 65 CZ3 TRP A 16 1.715 -8.078 -5.090 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.069 -7.956 -6.439 1.00 0.00 C ATOM 0 H TRP A 16 4.514 -2.193 -2.227 1.00 0.00 H new ATOM 0 HA TRP A 16 2.217 -4.102 -2.298 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.140 -4.906 -1.930 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.761 -5.968 -1.724 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.595 -3.947 -4.426 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.062 -4.916 -6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.046 -7.374 -3.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.311 -6.924 -7.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 0.966 -8.798 -4.795 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.596 -8.582 -7.181 1.00 0.00 H new ATOM 77 N CYS A 17 2.142 -3.858 0.199 1.00 0.00 N ATOM 78 CA CYS A 17 2.056 -3.587 1.670 1.00 0.00 C ATOM 79 C CYS A 17 1.481 -4.804 2.398 1.00 0.00 C ATOM 80 O CYS A 17 0.605 -5.484 1.899 1.00 0.00 O ATOM 81 CB CYS A 17 1.135 -2.386 1.898 1.00 0.00 C ATOM 82 SG CYS A 17 1.974 -0.872 1.366 1.00 0.00 S ATOM 0 H CYS A 17 1.297 -4.253 -0.213 1.00 0.00 H new ATOM 0 HA CYS A 17 3.054 -3.379 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.207 -2.515 1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.867 -2.315 2.952 1.00 0.00 H new ATOM 0 HG CYS A 17 3.051 -1.181 0.708 1.00 0.00 H new ATOM 88 N SER A 18 1.959 -5.076 3.584 1.00 0.00 N ATOM 89 CA SER A 18 1.435 -6.236 4.360 1.00 0.00 C ATOM 90 C SER A 18 0.034 -5.882 4.885 1.00 0.00 C ATOM 91 O SER A 18 -0.345 -4.727 4.924 1.00 0.00 O ATOM 92 CB SER A 18 2.400 -6.535 5.530 1.00 0.00 C ATOM 93 OG SER A 18 3.345 -5.478 5.635 1.00 0.00 O ATOM 0 H SER A 18 2.693 -4.542 4.049 1.00 0.00 H new ATOM 0 HA SER A 18 1.365 -7.123 3.731 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.842 -6.635 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.912 -7.482 5.362 1.00 0.00 H new ATOM 0 HG SER A 18 3.017 -4.807 6.270 1.00 0.00 H new ATOM 99 N PRO A 19 -0.730 -6.869 5.276 1.00 0.00 N ATOM 100 CA PRO A 19 -2.113 -6.657 5.796 1.00 0.00 C ATOM 101 C PRO A 19 -2.138 -5.730 7.021 1.00 0.00 C ATOM 102 O PRO A 19 -3.088 -5.004 7.233 1.00 0.00 O ATOM 103 CB PRO A 19 -2.595 -8.078 6.164 1.00 0.00 C ATOM 104 CG PRO A 19 -1.348 -8.900 6.271 1.00 0.00 C ATOM 105 CD PRO A 19 -0.368 -8.295 5.271 1.00 0.00 C ATOM 0 HA PRO A 19 -2.752 -6.167 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.147 -8.076 7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.265 -8.476 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.944 -8.869 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.548 -9.946 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.667 -8.450 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.478 -8.736 4.280 1.00 0.00 H new ATOM 113 N GLN A 20 -1.110 -5.745 7.826 1.00 0.00 N ATOM 114 CA GLN A 20 -1.104 -4.864 9.028 1.00 0.00 C ATOM 115 C GLN A 20 -1.221 -3.407 8.587 1.00 0.00 C ATOM 116 O GLN A 20 -1.967 -2.634 9.155 1.00 0.00 O ATOM 117 CB GLN A 20 0.205 -5.058 9.795 1.00 0.00 C ATOM 118 CG GLN A 20 0.223 -6.442 10.442 1.00 0.00 C ATOM 119 CD GLN A 20 1.555 -6.645 11.166 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.513 -5.941 10.909 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.659 -7.585 12.066 1.00 0.00 N ATOM 0 H GLN A 20 -0.280 -6.325 7.704 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.945 -5.120 9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.053 -4.951 9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.308 -4.287 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.604 -6.538 11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.087 -7.213 9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.856 -8.176 12.282 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.543 -7.729 12.553 1.00 0.00 H new ATOM 130 N GLU A 21 -0.507 -3.026 7.569 1.00 0.00 N ATOM 131 CA GLU A 21 -0.605 -1.622 7.094 1.00 0.00 C ATOM 132 C GLU A 21 -2.037 -1.369 6.630 1.00 0.00 C ATOM 133 O GLU A 21 -2.606 -0.323 6.880 1.00 0.00 O ATOM 134 CB GLU A 21 0.370 -1.400 5.940 1.00 0.00 C ATOM 135 CG GLU A 21 1.802 -1.431 6.478 1.00 0.00 C ATOM 136 CD GLU A 21 2.156 -2.858 6.899 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.616 -3.781 6.311 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.960 -3.004 7.806 1.00 0.00 O ATOM 0 H GLU A 21 0.136 -3.622 7.048 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.351 -0.932 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.237 -2.172 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.170 -0.443 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.497 -1.083 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.898 -0.755 7.328 1.00 0.00 H new ATOM 145 N ILE A 22 -2.632 -2.322 5.964 1.00 0.00 N ATOM 146 CA ILE A 22 -4.036 -2.132 5.502 1.00 0.00 C ATOM 147 C ILE A 22 -4.974 -2.078 6.712 1.00 0.00 C ATOM 148 O ILE A 22 -5.823 -1.213 6.802 1.00 0.00 O ATOM 149 CB ILE A 22 -4.455 -3.284 4.581 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.631 -3.216 3.283 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.954 -3.169 4.254 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.873 -4.465 2.417 1.00 0.00 C ATOM 0 H ILE A 22 -2.209 -3.218 5.721 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.099 -1.195 4.948 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.274 -4.236 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.901 -2.321 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.571 -3.134 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.248 -3.990 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.532 -3.216 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.146 -2.220 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.281 -4.396 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.580 -5.356 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.930 -4.530 2.159 1.00 0.00 H new ATOM 164 N MET A 23 -4.854 -2.997 7.641 1.00 0.00 N ATOM 165 CA MET A 23 -5.768 -2.980 8.820 1.00 0.00 C ATOM 166 C MET A 23 -5.740 -1.603 9.487 1.00 0.00 C ATOM 167 O MET A 23 -6.655 -1.233 10.197 1.00 0.00 O ATOM 168 CB MET A 23 -5.332 -4.041 9.845 1.00 0.00 C ATOM 169 CG MET A 23 -5.530 -5.462 9.284 1.00 0.00 C ATOM 170 SD MET A 23 -5.803 -6.618 10.651 1.00 0.00 S ATOM 171 CE MET A 23 -4.142 -6.544 11.370 1.00 0.00 C ATOM 0 H MET A 23 -4.167 -3.751 7.632 1.00 0.00 H new ATOM 0 HA MET A 23 -6.778 -3.200 8.475 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.284 -3.891 10.106 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.909 -3.924 10.763 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.381 -5.480 8.603 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.654 -5.763 8.709 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.038 -7.322 12.126 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.399 -6.697 10.587 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.988 -5.568 11.830 1.00 0.00 H new ATOM 181 N ALA A 24 -4.707 -0.834 9.270 1.00 0.00 N ATOM 182 CA ALA A 24 -4.649 0.515 9.900 1.00 0.00 C ATOM 183 C ALA A 24 -5.493 1.497 9.085 1.00 0.00 C ATOM 184 O ALA A 24 -5.744 2.610 9.501 1.00 0.00 O ATOM 185 CB ALA A 24 -3.199 0.999 9.933 1.00 0.00 C ATOM 0 H ALA A 24 -3.906 -1.080 8.688 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.038 0.457 10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.155 1.986 10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.595 0.301 10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.811 1.056 8.916 1.00 0.00 H new ATOM 191 N ALA A 25 -5.936 1.094 7.923 1.00 0.00 N ATOM 192 CA ALA A 25 -6.770 2.004 7.084 1.00 0.00 C ATOM 193 C ALA A 25 -8.234 1.897 7.516 1.00 0.00 C ATOM 194 O ALA A 25 -8.807 0.826 7.540 1.00 0.00 O ATOM 195 CB ALA A 25 -6.638 1.605 5.613 1.00 0.00 C ATOM 0 H ALA A 25 -5.756 0.175 7.519 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.429 3.032 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.247 2.269 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.595 1.683 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.978 0.578 5.483 1.00 0.00 H new ATOM 201 N ASP A 26 -8.843 3.000 7.853 1.00 0.00 N ATOM 202 CA ASP A 26 -10.271 2.967 8.282 1.00 0.00 C ATOM 203 C ASP A 26 -11.135 2.404 7.149 1.00 0.00 C ATOM 204 O ASP A 26 -12.061 1.653 7.376 1.00 0.00 O ATOM 205 CB ASP A 26 -10.736 4.383 8.632 1.00 0.00 C ATOM 206 CG ASP A 26 -10.596 5.288 7.407 1.00 0.00 C ATOM 207 OD1 ASP A 26 -9.725 5.024 6.595 1.00 0.00 O ATOM 208 OD2 ASP A 26 -11.363 6.232 7.302 1.00 0.00 O ATOM 0 H ASP A 26 -8.413 3.925 7.850 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.370 2.329 9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.774 4.364 8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.143 4.777 9.457 1.00 0.00 H new ATOM 213 N GLY A 27 -10.843 2.766 5.930 1.00 0.00 N ATOM 214 CA GLY A 27 -11.649 2.255 4.785 1.00 0.00 C ATOM 215 C GLY A 27 -11.649 0.726 4.791 1.00 0.00 C ATOM 216 O GLY A 27 -12.541 0.097 4.256 1.00 0.00 O ATOM 0 H GLY A 27 -10.080 3.394 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.671 2.628 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.237 2.624 3.846 1.00 0.00 H new ATOM 220 N MET A 28 -10.649 0.123 5.387 1.00 0.00 N ATOM 221 CA MET A 28 -10.565 -1.373 5.434 1.00 0.00 C ATOM 222 C MET A 28 -10.491 -1.821 6.902 1.00 0.00 C ATOM 223 O MET A 28 -9.429 -2.107 7.418 1.00 0.00 O ATOM 224 CB MET A 28 -9.300 -1.818 4.679 1.00 0.00 C ATOM 225 CG MET A 28 -9.092 -0.917 3.453 1.00 0.00 C ATOM 226 SD MET A 28 -8.098 -1.792 2.218 1.00 0.00 S ATOM 227 CE MET A 28 -8.595 -0.790 0.791 1.00 0.00 C ATOM 0 H MET A 28 -9.879 0.608 5.848 1.00 0.00 H new ATOM 0 HA MET A 28 -11.442 -1.822 4.967 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.432 -1.762 5.336 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.397 -2.858 4.367 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.056 -0.637 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.594 0.006 3.748 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.093 -1.157 -0.104 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.674 -0.859 0.656 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.317 0.250 0.962 1.00 0.00 H new ATOM 237 N PRO A 29 -11.615 -1.863 7.576 1.00 0.00 N ATOM 238 CA PRO A 29 -11.687 -2.260 9.014 1.00 0.00 C ATOM 239 C PRO A 29 -11.763 -3.776 9.210 1.00 0.00 C ATOM 240 O PRO A 29 -11.874 -4.531 8.266 1.00 0.00 O ATOM 241 CB PRO A 29 -12.990 -1.612 9.465 1.00 0.00 C ATOM 242 CG PRO A 29 -13.873 -1.737 8.267 1.00 0.00 C ATOM 243 CD PRO A 29 -12.959 -1.539 7.051 1.00 0.00 C ATOM 0 HA PRO A 29 -10.802 -1.951 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.413 -2.121 10.331 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.843 -0.570 9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.356 -2.714 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.666 -0.989 8.286 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.238 -2.196 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.008 -0.517 6.674 1.00 0.00 H new ATOM 251 N GLY A 30 -11.696 -4.221 10.437 1.00 0.00 N ATOM 252 CA GLY A 30 -11.753 -5.682 10.716 1.00 0.00 C ATOM 253 C GLY A 30 -10.328 -6.205 10.820 1.00 0.00 C ATOM 254 O GLY A 30 -9.393 -5.566 10.379 1.00 0.00 O ATOM 0 H GLY A 30 -11.604 -3.629 11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.295 -5.871 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.290 -6.200 9.921 1.00 0.00 H new ATOM 258 N SER A 31 -10.141 -7.351 11.401 1.00 0.00 N ATOM 259 CA SER A 31 -8.764 -7.887 11.526 1.00 0.00 C ATOM 260 C SER A 31 -8.280 -8.317 10.143 1.00 0.00 C ATOM 261 O SER A 31 -8.866 -7.972 9.138 1.00 0.00 O ATOM 262 CB SER A 31 -8.760 -9.086 12.474 1.00 0.00 C ATOM 263 OG SER A 31 -9.419 -10.180 11.853 1.00 0.00 O ATOM 0 H SER A 31 -10.878 -7.937 11.793 1.00 0.00 H new ATOM 0 HA SER A 31 -8.102 -7.121 11.928 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.736 -9.360 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.261 -8.828 13.407 1.00 0.00 H new ATOM 0 HG SER A 31 -9.416 -10.950 12.459 1.00 0.00 H new ATOM 269 N VAL A 32 -7.200 -9.039 10.076 1.00 0.00 N ATOM 270 CA VAL A 32 -6.670 -9.449 8.749 1.00 0.00 C ATOM 271 C VAL A 32 -7.743 -10.209 7.960 1.00 0.00 C ATOM 272 O VAL A 32 -7.946 -9.960 6.789 1.00 0.00 O ATOM 273 CB VAL A 32 -5.450 -10.342 8.954 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.868 -10.728 7.596 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.403 -9.578 9.767 1.00 0.00 C ATOM 0 H VAL A 32 -6.662 -9.362 10.880 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.387 -8.561 8.184 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.739 -11.246 9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.996 -11.366 7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.619 -11.266 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.573 -9.828 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.528 -10.210 9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.111 -8.676 9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.823 -9.303 10.734 1.00 0.00 H new ATOM 285 N ALA A 33 -8.431 -11.137 8.570 1.00 0.00 N ATOM 286 CA ALA A 33 -9.474 -11.888 7.812 1.00 0.00 C ATOM 287 C ALA A 33 -10.536 -10.914 7.289 1.00 0.00 C ATOM 288 O ALA A 33 -11.008 -11.042 6.178 1.00 0.00 O ATOM 289 CB ALA A 33 -10.135 -12.918 8.732 1.00 0.00 C ATOM 0 H ALA A 33 -8.319 -11.405 9.548 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.007 -12.399 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.897 -13.466 8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.381 -13.615 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.598 -12.407 9.576 1.00 0.00 H new ATOM 295 N GLY A 34 -10.915 -9.938 8.074 1.00 0.00 N ATOM 296 CA GLY A 34 -11.945 -8.967 7.599 1.00 0.00 C ATOM 297 C GLY A 34 -11.453 -8.320 6.303 1.00 0.00 C ATOM 298 O GLY A 34 -12.200 -8.133 5.360 1.00 0.00 O ATOM 0 H GLY A 34 -10.559 -9.772 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.894 -9.476 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.123 -8.205 8.357 1.00 0.00 H new ATOM 302 N VAL A 35 -10.194 -7.998 6.239 1.00 0.00 N ATOM 303 CA VAL A 35 -9.650 -7.389 4.998 1.00 0.00 C ATOM 304 C VAL A 35 -9.813 -8.404 3.862 1.00 0.00 C ATOM 305 O VAL A 35 -10.213 -8.072 2.764 1.00 0.00 O ATOM 306 CB VAL A 35 -8.162 -7.079 5.206 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.496 -6.750 3.865 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.027 -5.880 6.152 1.00 0.00 C ATOM 0 H VAL A 35 -9.519 -8.130 6.992 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.177 -6.466 4.755 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.671 -7.951 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.440 -6.532 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.592 -7.602 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.982 -5.881 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.972 -5.654 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.524 -5.014 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.489 -6.119 7.110 1.00 0.00 H new ATOM 318 N HIS A 36 -9.500 -9.644 4.132 1.00 0.00 N ATOM 319 CA HIS A 36 -9.623 -10.703 3.092 1.00 0.00 C ATOM 320 C HIS A 36 -11.082 -10.832 2.662 1.00 0.00 C ATOM 321 O HIS A 36 -11.377 -11.211 1.545 1.00 0.00 O ATOM 322 CB HIS A 36 -9.145 -12.037 3.671 1.00 0.00 C ATOM 323 CG HIS A 36 -7.644 -12.037 3.769 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.947 -11.118 4.539 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.696 -12.847 3.207 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.637 -11.400 4.417 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.429 -12.446 3.616 1.00 0.00 N ATOM 0 H HIS A 36 -9.161 -9.969 5.037 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.014 -10.437 2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.584 -12.195 4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.478 -12.860 3.038 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.353 -10.366 5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.901 -13.675 2.544 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.850 -10.847 4.908 1.00 0.00 H new ATOM 335 N TYR A 37 -12.004 -10.525 3.533 1.00 0.00 N ATOM 336 CA TYR A 37 -13.434 -10.641 3.150 1.00 0.00 C ATOM 337 C TYR A 37 -13.678 -9.716 1.958 1.00 0.00 C ATOM 338 O TYR A 37 -14.343 -10.078 1.008 1.00 0.00 O ATOM 339 CB TYR A 37 -14.322 -10.234 4.327 1.00 0.00 C ATOM 340 CG TYR A 37 -15.774 -10.370 3.939 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.441 -11.581 4.159 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.454 -9.289 3.366 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.788 -11.711 3.806 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.802 -9.421 3.012 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.469 -10.632 3.232 1.00 0.00 C ATOM 346 OH TYR A 37 -19.798 -10.761 2.886 1.00 0.00 O ATOM 0 H TYR A 37 -11.829 -10.202 4.484 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.675 -11.670 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.106 -10.861 5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.108 -9.206 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.916 -12.415 4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.940 -8.355 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.303 -12.645 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.328 -8.588 2.569 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.119 -9.919 2.501 1.00 0.00 H new ATOM 356 N ARG A 38 -13.123 -8.531 1.984 1.00 0.00 N ATOM 357 CA ARG A 38 -13.312 -7.611 0.824 1.00 0.00 C ATOM 358 C ARG A 38 -12.653 -8.221 -0.420 1.00 0.00 C ATOM 359 O ARG A 38 -13.196 -8.183 -1.506 1.00 0.00 O ATOM 360 CB ARG A 38 -12.656 -6.257 1.109 1.00 0.00 C ATOM 361 CG ARG A 38 -13.437 -5.507 2.187 1.00 0.00 C ATOM 362 CD ARG A 38 -12.791 -4.139 2.412 1.00 0.00 C ATOM 363 NE ARG A 38 -12.987 -3.298 1.196 1.00 0.00 N ATOM 364 CZ ARG A 38 -12.770 -2.013 1.246 1.00 0.00 C ATOM 365 NH1 ARG A 38 -12.368 -1.459 2.358 1.00 0.00 N ATOM 366 NH2 ARG A 38 -12.953 -1.281 0.180 1.00 0.00 N ATOM 0 H ARG A 38 -12.555 -8.165 2.748 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.380 -7.470 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.626 -6.405 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.621 -5.663 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.477 -5.386 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.441 -6.079 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.235 -3.652 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.728 -4.256 2.621 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.292 -3.729 0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.223 -2.031 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.199 -0.454 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.265 -1.715 -0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.784 -0.276 0.216 1.00 0.00 H new ATOM 380 N ALA A 39 -11.473 -8.765 -0.266 1.00 0.00 N ATOM 381 CA ALA A 39 -10.757 -9.359 -1.436 1.00 0.00 C ATOM 382 C ALA A 39 -11.307 -10.755 -1.740 1.00 0.00 C ATOM 383 O ALA A 39 -10.780 -11.467 -2.570 1.00 0.00 O ATOM 384 CB ALA A 39 -9.263 -9.459 -1.117 1.00 0.00 C ATOM 0 H ALA A 39 -10.973 -8.824 0.621 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.908 -8.722 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.737 -9.892 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.867 -8.464 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.119 -10.092 -0.242 1.00 0.00 H new ATOM 390 N ASN A 40 -12.364 -11.149 -1.089 1.00 0.00 N ATOM 391 CA ASN A 40 -12.939 -12.494 -1.366 1.00 0.00 C ATOM 392 C ASN A 40 -13.677 -12.463 -2.710 1.00 0.00 C ATOM 393 O ASN A 40 -13.457 -13.287 -3.576 1.00 0.00 O ATOM 394 CB ASN A 40 -13.920 -12.862 -0.252 1.00 0.00 C ATOM 395 CG ASN A 40 -14.313 -14.334 -0.380 1.00 0.00 C ATOM 396 OD1 ASN A 40 -13.625 -15.103 -1.021 1.00 0.00 O ATOM 397 ND2 ASN A 40 -15.395 -14.762 0.211 1.00 0.00 N ATOM 0 H ASN A 40 -12.853 -10.602 -0.381 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.140 -13.235 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.465 -12.680 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.807 -12.232 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.664 -15.743 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -15.972 -14.115 0.749 1.00 0.00 H new ATOM 404 N VAL A 41 -14.555 -11.512 -2.878 1.00 0.00 N ATOM 405 CA VAL A 41 -15.323 -11.411 -4.154 1.00 0.00 C ATOM 406 C VAL A 41 -14.388 -10.974 -5.288 1.00 0.00 C ATOM 407 O VAL A 41 -14.468 -11.471 -6.395 1.00 0.00 O ATOM 408 CB VAL A 41 -16.453 -10.385 -3.990 1.00 0.00 C ATOM 409 CG1 VAL A 41 -17.127 -10.132 -5.342 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.488 -10.928 -3.002 1.00 0.00 C ATOM 0 H VAL A 41 -14.775 -10.797 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.749 -12.384 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 41 -16.038 -9.449 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.928 -9.403 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.392 -9.747 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.542 -11.066 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.293 -10.202 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.897 -11.864 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.012 -11.105 -2.037 1.00 0.00 H new ATOM 420 N GLN A 42 -13.507 -10.043 -5.024 1.00 0.00 N ATOM 421 CA GLN A 42 -12.569 -9.561 -6.088 1.00 0.00 C ATOM 422 C GLN A 42 -11.240 -10.322 -6.002 1.00 0.00 C ATOM 423 O GLN A 42 -10.836 -10.773 -4.949 1.00 0.00 O ATOM 424 CB GLN A 42 -12.319 -8.062 -5.901 1.00 0.00 C ATOM 425 CG GLN A 42 -13.593 -7.291 -6.254 1.00 0.00 C ATOM 426 CD GLN A 42 -13.354 -5.791 -6.072 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.366 -5.386 -5.323 1.00 0.00 O flip ATOM 428 NE2 GLN A 42 -14.079 -4.979 -6.612 1.00 0.00 N flip ATOM 0 H GLN A 42 -13.395 -9.593 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.014 -9.739 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.028 -7.855 -4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.495 -7.737 -6.536 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.883 -7.501 -7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.416 -7.618 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.852 -5.295 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.915 -3.981 -6.479 1.00 0.00 H new ATOM 437 N GLY A 43 -10.560 -10.468 -7.111 1.00 0.00 N ATOM 438 CA GLY A 43 -9.256 -11.199 -7.116 1.00 0.00 C ATOM 439 C GLY A 43 -8.110 -10.203 -6.930 1.00 0.00 C ATOM 440 O GLY A 43 -7.293 -10.005 -7.808 1.00 0.00 O ATOM 0 H GLY A 43 -10.854 -10.110 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.240 -11.941 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.134 -11.739 -8.055 1.00 0.00 H new ATOM 444 N TRP A 44 -8.046 -9.577 -5.791 1.00 0.00 N ATOM 445 CA TRP A 44 -6.960 -8.589 -5.532 1.00 0.00 C ATOM 446 C TRP A 44 -5.606 -9.181 -5.946 1.00 0.00 C ATOM 447 O TRP A 44 -5.421 -10.382 -5.973 1.00 0.00 O ATOM 448 CB TRP A 44 -6.911 -8.268 -4.029 1.00 0.00 C ATOM 449 CG TRP A 44 -7.956 -7.262 -3.669 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.145 -7.102 -4.294 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.914 -6.272 -2.605 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.837 -6.078 -3.671 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.117 -5.533 -2.625 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.952 -5.950 -1.631 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.360 -4.508 -1.708 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.189 -4.920 -0.709 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.392 -4.200 -0.747 1.00 0.00 C ATOM 0 H TRP A 44 -8.703 -9.707 -5.022 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.160 -7.685 -6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.063 -9.180 -3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.925 -7.885 -3.766 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.496 -7.677 -5.138 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.766 -5.764 -3.950 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.023 -6.500 -1.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.289 -3.957 -1.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.442 -4.680 0.033 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.571 -3.408 -0.035 1.00 0.00 H new ATOM 468 N THR A 45 -4.651 -8.337 -6.235 1.00 0.00 N ATOM 469 CA THR A 45 -3.299 -8.836 -6.606 1.00 0.00 C ATOM 470 C THR A 45 -2.605 -9.285 -5.316 1.00 0.00 C ATOM 471 O THR A 45 -2.574 -8.561 -4.340 1.00 0.00 O ATOM 472 CB THR A 45 -2.511 -7.699 -7.275 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.912 -7.589 -8.634 1.00 0.00 O ATOM 474 CG2 THR A 45 -1.001 -7.971 -7.209 1.00 0.00 C ATOM 0 H THR A 45 -4.751 -7.322 -6.229 1.00 0.00 H new ATOM 0 HA THR A 45 -3.360 -9.670 -7.305 1.00 0.00 H new ATOM 0 HB THR A 45 -2.720 -6.769 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.127 -7.412 -9.193 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.463 -7.153 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.690 -8.048 -6.167 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.777 -8.905 -7.725 1.00 0.00 H new ATOM 482 N LYS A 46 -2.072 -10.479 -5.294 1.00 0.00 N ATOM 483 CA LYS A 46 -1.406 -10.984 -4.051 1.00 0.00 C ATOM 484 C LYS A 46 -0.111 -11.716 -4.396 1.00 0.00 C ATOM 485 O LYS A 46 0.086 -12.179 -5.502 1.00 0.00 O ATOM 486 CB LYS A 46 -2.341 -11.973 -3.353 1.00 0.00 C ATOM 487 CG LYS A 46 -3.651 -11.282 -2.975 1.00 0.00 C ATOM 488 CD LYS A 46 -4.615 -12.312 -2.369 1.00 0.00 C ATOM 489 CE LYS A 46 -4.052 -12.846 -1.045 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.164 -13.385 -0.217 1.00 0.00 N ATOM 0 H LYS A 46 -2.068 -11.128 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.182 -10.135 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.544 -12.819 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.860 -12.371 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.460 -10.482 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.099 -10.822 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.590 -11.854 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.766 -13.135 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.316 -13.627 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.537 -12.049 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.784 -13.747 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.850 -12.628 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.636 -14.157 -0.730 1.00 0.00 H new ATOM 504 N ARG A 47 0.764 -11.844 -3.433 1.00 0.00 N ATOM 505 CA ARG A 47 2.046 -12.573 -3.663 1.00 0.00 C ATOM 506 C ARG A 47 2.439 -13.304 -2.378 1.00 0.00 C ATOM 507 O ARG A 47 2.245 -12.806 -1.285 1.00 0.00 O ATOM 508 CB ARG A 47 3.149 -11.587 -4.049 1.00 0.00 C ATOM 509 CG ARG A 47 3.260 -10.494 -2.984 1.00 0.00 C ATOM 510 CD ARG A 47 4.368 -9.515 -3.380 1.00 0.00 C ATOM 511 NE ARG A 47 5.673 -10.233 -3.420 1.00 0.00 N ATOM 512 CZ ARG A 47 6.698 -9.690 -4.018 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.583 -8.517 -4.581 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.840 -10.322 -4.051 1.00 0.00 N ATOM 0 H ARG A 47 0.644 -11.472 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 47 1.915 -13.290 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.100 -12.111 -4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.929 -11.142 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.311 -9.967 -2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.480 -10.937 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.151 -9.078 -4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.415 -8.693 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 47 5.765 -11.149 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.691 -8.024 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.385 -8.094 -5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.929 -11.237 -3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.643 -9.900 -4.518 1.00 0.00 H new ATOM 678 N VAL A 58 2.041 -12.458 3.378 1.00 0.00 N ATOM 679 CA VAL A 58 1.350 -12.156 2.084 1.00 0.00 C ATOM 680 C VAL A 58 1.179 -10.645 1.952 1.00 0.00 C ATOM 681 O VAL A 58 0.968 -9.950 2.926 1.00 0.00 O ATOM 682 CB VAL A 58 -0.022 -12.831 2.077 1.00 0.00 C ATOM 683 CG1 VAL A 58 0.157 -14.350 2.141 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.825 -12.360 3.292 1.00 0.00 C ATOM 0 HA VAL A 58 1.942 -12.531 1.249 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.554 -12.567 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.821 -14.832 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.731 -14.685 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.688 -14.616 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.804 -12.840 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.293 -12.626 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.951 -11.278 3.248 1.00 0.00 H new ATOM 694 N GLU A 59 1.293 -10.130 0.752 1.00 0.00 N ATOM 695 CA GLU A 59 1.161 -8.653 0.540 1.00 0.00 C ATOM 696 C GLU A 59 0.150 -8.372 -0.569 1.00 0.00 C ATOM 697 O GLU A 59 -0.132 -9.212 -1.404 1.00 0.00 O ATOM 698 CB GLU A 59 2.519 -8.080 0.126 1.00 0.00 C ATOM 699 CG GLU A 59 3.507 -8.197 1.291 1.00 0.00 C ATOM 700 CD GLU A 59 3.976 -9.650 1.430 1.00 0.00 C ATOM 701 OE1 GLU A 59 3.683 -10.436 0.544 1.00 0.00 O ATOM 702 OE2 GLU A 59 4.619 -9.950 2.422 1.00 0.00 O ATOM 0 H GLU A 59 1.473 -10.671 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 59 0.822 -8.190 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.901 -8.616 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.410 -7.036 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.363 -7.544 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.033 -7.868 2.216 1.00 0.00 H new ATOM 709 N TYR A 60 -0.397 -7.179 -0.574 1.00 0.00 N ATOM 710 CA TYR A 60 -1.401 -6.785 -1.607 1.00 0.00 C ATOM 711 C TYR A 60 -0.866 -5.572 -2.370 1.00 0.00 C ATOM 712 O TYR A 60 -0.223 -4.712 -1.804 1.00 0.00 O ATOM 713 CB TYR A 60 -2.703 -6.397 -0.908 1.00 0.00 C ATOM 714 CG TYR A 60 -3.241 -7.583 -0.151 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.862 -7.795 1.181 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.126 -8.466 -0.776 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.366 -8.893 1.884 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.630 -9.563 -0.072 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.250 -9.777 1.257 1.00 0.00 C ATOM 720 OH TYR A 60 -4.748 -10.859 1.948 1.00 0.00 O ATOM 0 H TYR A 60 -0.184 -6.451 0.108 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.580 -7.612 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.528 -5.566 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.435 -6.058 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.181 -7.110 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.420 -8.301 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.073 -9.059 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.313 -10.246 -0.554 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.052 -11.221 2.535 1.00 0.00 H new ATOM 730 N ASP A 61 -1.120 -5.491 -3.649 1.00 0.00 N ATOM 731 CA ASP A 61 -0.618 -4.322 -4.437 1.00 0.00 C ATOM 732 C ASP A 61 -1.685 -3.228 -4.469 1.00 0.00 C ATOM 733 O ASP A 61 -2.718 -3.375 -5.092 1.00 0.00 O ATOM 734 CB ASP A 61 -0.297 -4.776 -5.865 1.00 0.00 C ATOM 735 CG ASP A 61 0.312 -3.614 -6.652 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.023 -2.479 -6.312 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.051 -3.880 -7.586 1.00 0.00 O ATOM 0 H ASP A 61 -1.651 -6.179 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 61 0.284 -3.926 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.398 -5.616 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.204 -5.126 -6.358 1.00 0.00 H new ATOM 742 N VAL A 62 -1.445 -2.123 -3.807 1.00 0.00 N ATOM 743 CA VAL A 62 -2.442 -1.014 -3.804 1.00 0.00 C ATOM 744 C VAL A 62 -2.497 -0.371 -5.193 1.00 0.00 C ATOM 745 O VAL A 62 -3.517 0.140 -5.611 1.00 0.00 O ATOM 746 CB VAL A 62 -2.029 0.035 -2.771 1.00 0.00 C ATOM 747 CG1 VAL A 62 -3.051 1.175 -2.761 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.973 -0.616 -1.388 1.00 0.00 C ATOM 0 H VAL A 62 -0.598 -1.943 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.426 -1.409 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.048 0.435 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.756 1.922 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.092 1.635 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.034 0.780 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.679 0.128 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.955 -1.013 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.245 -1.427 -1.397 1.00 0.00 H new ATOM 758 N MET A 63 -1.404 -0.387 -5.908 1.00 0.00 N ATOM 759 CA MET A 63 -1.387 0.230 -7.267 1.00 0.00 C ATOM 760 C MET A 63 -2.237 -0.623 -8.207 1.00 0.00 C ATOM 761 O MET A 63 -2.513 -0.249 -9.330 1.00 0.00 O ATOM 762 CB MET A 63 0.062 0.286 -7.776 1.00 0.00 C ATOM 763 CG MET A 63 0.099 0.849 -9.199 1.00 0.00 C ATOM 764 SD MET A 63 1.808 1.246 -9.648 1.00 0.00 S ATOM 765 CE MET A 63 1.813 2.952 -9.041 1.00 0.00 C ATOM 0 H MET A 63 -0.521 -0.801 -5.610 1.00 0.00 H new ATOM 0 HA MET A 63 -1.792 1.241 -7.228 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.664 0.909 -7.115 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.500 -0.712 -7.760 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.313 0.123 -9.900 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.522 1.742 -9.264 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.791 3.399 -9.220 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.050 3.527 -9.566 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.601 2.958 -7.972 1.00 0.00 H new ATOM 775 N SER A 64 -2.673 -1.764 -7.741 1.00 0.00 N ATOM 776 CA SER A 64 -3.525 -2.657 -8.581 1.00 0.00 C ATOM 777 C SER A 64 -4.983 -2.523 -8.129 1.00 0.00 C ATOM 778 O SER A 64 -5.898 -2.939 -8.811 1.00 0.00 O ATOM 779 CB SER A 64 -3.062 -4.106 -8.396 1.00 0.00 C ATOM 780 OG SER A 64 -3.571 -4.904 -9.455 1.00 0.00 O ATOM 0 H SER A 64 -2.473 -2.118 -6.806 1.00 0.00 H new ATOM 0 HA SER A 64 -3.441 -2.378 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.973 -4.152 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.409 -4.491 -7.437 1.00 0.00 H new ATOM 0 HG SER A 64 -3.392 -5.849 -9.267 1.00 0.00 H new ATOM 786 N MET A 65 -5.201 -1.938 -6.980 1.00 0.00 N ATOM 787 CA MET A 65 -6.592 -1.762 -6.468 1.00 0.00 C ATOM 788 C MET A 65 -7.241 -0.537 -7.132 1.00 0.00 C ATOM 789 O MET A 65 -6.557 0.396 -7.501 1.00 0.00 O ATOM 790 CB MET A 65 -6.540 -1.540 -4.956 1.00 0.00 C ATOM 791 CG MET A 65 -6.113 -2.830 -4.260 1.00 0.00 C ATOM 792 SD MET A 65 -5.721 -2.470 -2.531 1.00 0.00 S ATOM 793 CE MET A 65 -4.567 -3.836 -2.276 1.00 0.00 C ATOM 0 H MET A 65 -4.470 -1.572 -6.370 1.00 0.00 H new ATOM 0 HA MET A 65 -7.179 -2.651 -6.699 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.839 -0.739 -4.720 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.518 -1.225 -4.591 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.911 -3.570 -4.318 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.245 -3.258 -4.761 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.651 -4.196 -1.251 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.804 -4.646 -2.966 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.549 -3.491 -2.457 1.00 0.00 H new ATOM 803 N PRO A 66 -8.551 -0.513 -7.273 1.00 0.00 N ATOM 804 CA PRO A 66 -9.249 0.650 -7.885 1.00 0.00 C ATOM 805 C PRO A 66 -8.706 1.978 -7.328 1.00 0.00 C ATOM 806 O PRO A 66 -7.959 1.999 -6.370 1.00 0.00 O ATOM 807 CB PRO A 66 -10.744 0.449 -7.530 1.00 0.00 C ATOM 808 CG PRO A 66 -10.832 -0.828 -6.725 1.00 0.00 C ATOM 809 CD PRO A 66 -9.500 -1.568 -6.883 1.00 0.00 C ATOM 0 HA PRO A 66 -9.095 0.702 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.123 1.295 -6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.350 0.380 -8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.025 -0.606 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.658 -1.446 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.199 -2.052 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.564 -2.348 -7.642 1.00 0.00 H new ATOM 817 N THR A 67 -9.057 3.080 -7.934 1.00 0.00 N ATOM 818 CA THR A 67 -8.546 4.399 -7.464 1.00 0.00 C ATOM 819 C THR A 67 -9.231 4.835 -6.161 1.00 0.00 C ATOM 820 O THR A 67 -8.647 5.528 -5.352 1.00 0.00 O ATOM 821 CB THR A 67 -8.822 5.440 -8.548 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.224 5.538 -8.758 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.137 5.018 -9.849 1.00 0.00 C ATOM 0 H THR A 67 -9.680 3.123 -8.740 1.00 0.00 H new ATOM 0 HA THR A 67 -7.477 4.310 -7.270 1.00 0.00 H new ATOM 0 HB THR A 67 -8.432 6.408 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.405 6.206 -9.452 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.334 5.761 -10.622 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.062 4.941 -9.686 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.526 4.051 -10.168 1.00 0.00 H new ATOM 831 N LYS A 68 -10.467 4.470 -5.964 1.00 0.00 N ATOM 832 CA LYS A 68 -11.184 4.907 -4.729 1.00 0.00 C ATOM 833 C LYS A 68 -10.421 4.443 -3.483 1.00 0.00 C ATOM 834 O LYS A 68 -10.158 5.218 -2.583 1.00 0.00 O ATOM 835 CB LYS A 68 -12.583 4.293 -4.739 1.00 0.00 C ATOM 836 CG LYS A 68 -13.407 4.960 -5.848 1.00 0.00 C ATOM 837 CD LYS A 68 -14.726 4.203 -6.067 1.00 0.00 C ATOM 838 CE LYS A 68 -15.747 4.602 -5.000 1.00 0.00 C ATOM 839 NZ LYS A 68 -15.970 6.075 -5.059 1.00 0.00 N ATOM 0 H LYS A 68 -11.012 3.890 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.252 5.995 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.522 3.218 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.065 4.437 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.615 5.996 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.833 4.979 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.120 4.424 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.548 3.128 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.686 4.073 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.388 4.316 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.935 6.293 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.284 6.555 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.846 6.406 -6.037 1.00 0.00 H new ATOM 853 N GLU A 69 -10.050 3.197 -3.428 1.00 0.00 N ATOM 854 CA GLU A 69 -9.290 2.697 -2.248 1.00 0.00 C ATOM 855 C GLU A 69 -7.905 3.347 -2.225 1.00 0.00 C ATOM 856 O GLU A 69 -7.370 3.657 -1.178 1.00 0.00 O ATOM 857 CB GLU A 69 -9.150 1.177 -2.333 1.00 0.00 C ATOM 858 CG GLU A 69 -10.496 0.521 -2.013 1.00 0.00 C ATOM 859 CD GLU A 69 -11.521 0.891 -3.086 1.00 0.00 C ATOM 860 OE1 GLU A 69 -11.109 1.189 -4.194 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.702 0.873 -2.780 1.00 0.00 O ATOM 0 H GLU A 69 -10.240 2.501 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.825 2.954 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.820 0.887 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.389 0.832 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.381 -0.562 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.847 0.848 -1.034 1.00 0.00 H new ATOM 868 N ARG A 70 -7.319 3.552 -3.373 1.00 0.00 N ATOM 869 CA ARG A 70 -5.967 4.178 -3.420 1.00 0.00 C ATOM 870 C ARG A 70 -6.028 5.560 -2.770 1.00 0.00 C ATOM 871 O ARG A 70 -5.196 5.910 -1.955 1.00 0.00 O ATOM 872 CB ARG A 70 -5.532 4.312 -4.882 1.00 0.00 C ATOM 873 CG ARG A 70 -4.117 4.891 -4.960 1.00 0.00 C ATOM 874 CD ARG A 70 -3.710 5.010 -6.428 1.00 0.00 C ATOM 875 NE ARG A 70 -3.740 3.658 -7.055 1.00 0.00 N ATOM 876 CZ ARG A 70 -3.702 3.539 -8.352 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.588 4.603 -9.103 1.00 0.00 N ATOM 878 NH2 ARG A 70 -3.776 2.357 -8.899 1.00 0.00 N ATOM 0 H ARG A 70 -7.718 3.313 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.250 3.559 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.562 3.337 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.227 4.958 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.083 5.869 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.417 4.248 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.388 5.683 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.711 5.439 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.790 2.825 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.529 5.526 -8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.558 4.510 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.863 1.528 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.746 2.262 -9.914 1.00 0.00 H new ATOM 892 N GLU A 71 -7.010 6.347 -3.111 1.00 0.00 N ATOM 893 CA GLU A 71 -7.124 7.700 -2.499 1.00 0.00 C ATOM 894 C GLU A 71 -7.297 7.566 -0.986 1.00 0.00 C ATOM 895 O GLU A 71 -6.759 8.341 -0.220 1.00 0.00 O ATOM 896 CB GLU A 71 -8.335 8.432 -3.082 1.00 0.00 C ATOM 897 CG GLU A 71 -8.061 8.796 -4.540 1.00 0.00 C ATOM 898 CD GLU A 71 -9.283 9.504 -5.127 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.257 9.656 -4.408 1.00 0.00 O ATOM 900 OE2 GLU A 71 -9.226 9.877 -6.288 1.00 0.00 O ATOM 0 H GLU A 71 -7.738 6.112 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.218 8.266 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.221 7.801 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.541 9.333 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.186 9.443 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.837 7.897 -5.115 1.00 0.00 H new ATOM 907 N GLN A 72 -8.069 6.609 -0.548 1.00 0.00 N ATOM 908 CA GLN A 72 -8.302 6.456 0.915 1.00 0.00 C ATOM 909 C GLN A 72 -6.992 6.113 1.638 1.00 0.00 C ATOM 910 O GLN A 72 -6.735 6.601 2.719 1.00 0.00 O ATOM 911 CB GLN A 72 -9.323 5.340 1.153 1.00 0.00 C ATOM 912 CG GLN A 72 -9.802 5.370 2.608 1.00 0.00 C ATOM 913 CD GLN A 72 -10.603 6.651 2.863 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.513 6.969 2.124 1.00 0.00 O ATOM 915 NE2 GLN A 72 -10.300 7.402 3.886 1.00 0.00 N ATOM 0 H GLN A 72 -8.547 5.929 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.682 7.398 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.171 5.462 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.875 4.372 0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.420 4.496 2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.947 5.324 3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.536 7.135 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.827 8.256 4.065 1.00 0.00 H new ATOM 924 N VAL A 73 -6.164 5.280 1.066 1.00 0.00 N ATOM 925 CA VAL A 73 -4.888 4.927 1.760 1.00 0.00 C ATOM 926 C VAL A 73 -3.980 6.159 1.800 1.00 0.00 C ATOM 927 O VAL A 73 -3.447 6.518 2.833 1.00 0.00 O ATOM 928 CB VAL A 73 -4.185 3.793 1.001 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.779 3.578 1.568 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.993 2.502 1.149 1.00 0.00 C ATOM 0 H VAL A 73 -6.311 4.833 0.161 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.103 4.598 2.777 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.111 4.062 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.287 2.772 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.199 4.495 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.849 3.314 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.494 1.697 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.070 2.240 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.992 2.649 0.738 1.00 0.00 H new ATOM 940 N ILE A 74 -3.798 6.809 0.687 1.00 0.00 N ATOM 941 CA ILE A 74 -2.927 8.015 0.664 1.00 0.00 C ATOM 942 C ILE A 74 -3.497 9.074 1.614 1.00 0.00 C ATOM 943 O ILE A 74 -2.766 9.761 2.298 1.00 0.00 O ATOM 944 CB ILE A 74 -2.816 8.550 -0.767 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.002 7.543 -1.590 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.105 9.910 -0.762 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.944 7.980 -3.053 1.00 0.00 C ATOM 0 H ILE A 74 -4.215 6.557 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.924 7.755 1.003 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.808 8.679 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.993 7.464 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.453 6.553 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.029 10.285 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.674 10.616 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.106 9.796 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.364 7.257 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.955 8.035 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.472 8.960 -3.122 1.00 0.00 H new ATOM 959 N ALA A 75 -4.795 9.213 1.671 1.00 0.00 N ATOM 960 CA ALA A 75 -5.387 10.227 2.591 1.00 0.00 C ATOM 961 C ALA A 75 -4.899 9.938 4.011 1.00 0.00 C ATOM 962 O ALA A 75 -4.631 10.834 4.792 1.00 0.00 O ATOM 963 CB ALA A 75 -6.914 10.129 2.550 1.00 0.00 C ATOM 0 H ALA A 75 -5.466 8.673 1.125 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.085 11.229 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.344 10.871 3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.263 10.314 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.223 9.132 2.864 1.00 0.00 H new ATOM 969 N HIS A 76 -4.763 8.686 4.346 1.00 0.00 N ATOM 970 CA HIS A 76 -4.279 8.328 5.705 1.00 0.00 C ATOM 971 C HIS A 76 -2.892 8.934 5.896 1.00 0.00 C ATOM 972 O HIS A 76 -2.557 9.435 6.950 1.00 0.00 O ATOM 973 CB HIS A 76 -4.195 6.806 5.830 1.00 0.00 C ATOM 974 CG HIS A 76 -3.976 6.426 7.267 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.950 5.790 8.018 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.899 6.584 8.103 1.00 0.00 C ATOM 977 CE1 HIS A 76 -4.444 5.588 9.248 1.00 0.00 C ATOM 978 NE2 HIS A 76 -3.197 6.054 9.354 1.00 0.00 N ATOM 0 H HIS A 76 -4.967 7.895 3.735 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.963 8.710 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.113 6.350 5.459 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.379 6.426 5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.963 7.049 7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.981 5.107 10.052 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.593 6.027 10.176 1.00 0.00 H new ATOM 986 N LEU A 77 -2.080 8.895 4.877 1.00 0.00 N ATOM 987 CA LEU A 77 -0.715 9.475 4.991 1.00 0.00 C ATOM 988 C LEU A 77 -0.844 10.963 5.320 1.00 0.00 C ATOM 989 O LEU A 77 -0.099 11.504 6.111 1.00 0.00 O ATOM 990 CB LEU A 77 0.016 9.310 3.656 1.00 0.00 C ATOM 991 CG LEU A 77 0.033 7.828 3.258 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.732 7.667 1.899 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.775 7.006 4.328 1.00 0.00 C ATOM 0 H LEU A 77 -2.304 8.486 3.970 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.154 8.967 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.479 9.899 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.036 9.686 3.739 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.992 7.466 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.743 6.614 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.194 8.239 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.756 8.034 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.783 5.955 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.800 7.366 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.268 7.115 5.287 1.00 0.00 H new