USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 739 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 82 THR OG1 : rot -52:sc= 0.341 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.299 K(o=0.042,f=-2.7!) USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN : amide:sc= -2.83 K(o=-2.8,f=-3.5!) USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot 90:sc= -0.782 USER MOD Set 5.2: A 83 ASN : amide:sc= -0.437 K(o=-1.2,f=-5.5!) USER MOD Set 6.1: A 29 CYS SG : rot 142:sc= 1.03 USER MOD Set 6.2: A 79 CYS SG : rot 107:sc= 2.17 USER MOD Set 7.1: A 24 MET CE :methyl 150:sc= 0 (180deg=0) USER MOD Set 7.2: A 65 ASN : amide:sc= -1.6 X(o=-1.6,f=-2) USER MOD Set 8.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.025) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 18 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.76) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0276 (180deg=-0.235) USER MOD Single : A 31 THR OG1 : rot 120:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 51 SER OG : rot -56:sc= 0.807 USER MOD Single : A 53 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-6.7!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.943 USER MOD Single : A 60 ASN : amide:sc= -0.031 K(o=-0.031,f=-0.57) USER MOD Single : A 63 THR OG1 : rot 114:sc= 1.12 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -6.9! C(o=-10!,f=-6.9!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 77 TYR OH : rot -28:sc= 1.1 USER MOD Single : A 80 MET CE :methyl 172:sc= -7.05! (180deg=-7.56!) USER MOD Single : A 88 SER OG : rot -80:sc= -1.23 USER MOD Single : A 89 ASN : amide:sc= -0.575 X(o=-0.58,f=-0.088) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.4) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0211 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.610 -1.790 -9.329 1.00 0.00 N ATOM 2 CA GLY A 1 28.630 -1.461 -7.916 1.00 0.00 C ATOM 3 C GLY A 1 28.090 -0.073 -7.636 1.00 0.00 C ATOM 4 O GLY A 1 28.652 0.668 -6.830 1.00 0.00 O ATOM 0 H1 GLY A 1 29.066 -2.713 -9.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.626 -1.833 -9.662 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.124 -1.060 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.040 -2.195 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.652 -1.532 -7.544 1.00 0.00 H new ATOM 8 N SER A 2 26.998 0.281 -8.305 1.00 0.00 N ATOM 9 CA SER A 2 26.384 1.593 -8.128 1.00 0.00 C ATOM 10 C SER A 2 24.872 1.469 -7.970 1.00 0.00 C ATOM 11 O SER A 2 24.290 0.425 -8.267 1.00 0.00 O ATOM 12 CB SER A 2 26.712 2.497 -9.317 1.00 0.00 C ATOM 13 OG SER A 2 26.308 3.832 -9.070 1.00 0.00 O ATOM 0 H SER A 2 26.520 -0.322 -8.975 1.00 0.00 H new ATOM 0 HA SER A 2 26.791 2.038 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.784 2.469 -9.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.213 2.122 -10.211 1.00 0.00 H new ATOM 0 HG SER A 2 26.530 4.390 -9.845 1.00 0.00 H new ATOM 19 N SER A 3 24.242 2.541 -7.502 1.00 0.00 N ATOM 20 CA SER A 3 22.798 2.552 -7.301 1.00 0.00 C ATOM 21 C SER A 3 22.071 2.079 -8.556 1.00 0.00 C ATOM 22 O SER A 3 22.407 2.480 -9.670 1.00 0.00 O ATOM 23 CB SER A 3 22.325 3.958 -6.924 1.00 0.00 C ATOM 24 OG SER A 3 22.504 4.862 -8.000 1.00 0.00 O ATOM 0 H SER A 3 24.709 3.414 -7.255 1.00 0.00 H new ATOM 0 HA SER A 3 22.564 1.867 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.273 3.928 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.878 4.310 -6.053 1.00 0.00 H new ATOM 0 HG SER A 3 22.193 5.752 -7.734 1.00 0.00 H new ATOM 30 N GLY A 4 21.072 1.222 -8.367 1.00 0.00 N ATOM 31 CA GLY A 4 20.313 0.708 -9.491 1.00 0.00 C ATOM 32 C GLY A 4 19.182 1.631 -9.899 1.00 0.00 C ATOM 33 O GLY A 4 19.405 2.636 -10.573 1.00 0.00 O ATOM 0 H GLY A 4 20.775 0.875 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.981 0.561 -10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.905 -0.269 -9.233 1.00 0.00 H new ATOM 37 N SER A 5 17.964 1.289 -9.490 1.00 0.00 N ATOM 38 CA SER A 5 16.793 2.092 -9.822 1.00 0.00 C ATOM 39 C SER A 5 16.768 3.380 -9.004 1.00 0.00 C ATOM 40 O SER A 5 16.216 3.420 -7.905 1.00 0.00 O ATOM 41 CB SER A 5 15.513 1.292 -9.573 1.00 0.00 C ATOM 42 OG SER A 5 15.434 0.173 -10.439 1.00 0.00 O ATOM 0 H SER A 5 17.763 0.462 -8.928 1.00 0.00 H new ATOM 0 HA SER A 5 16.850 2.354 -10.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.486 0.956 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.645 1.934 -9.723 1.00 0.00 H new ATOM 0 HG SER A 5 14.608 -0.323 -10.259 1.00 0.00 H new ATOM 48 N SER A 6 17.371 4.432 -9.550 1.00 0.00 N ATOM 49 CA SER A 6 17.422 5.721 -8.870 1.00 0.00 C ATOM 50 C SER A 6 17.635 5.537 -7.371 1.00 0.00 C ATOM 51 O SER A 6 17.135 6.316 -6.561 1.00 0.00 O ATOM 52 CB SER A 6 16.133 6.505 -9.121 1.00 0.00 C ATOM 53 OG SER A 6 15.009 5.820 -8.596 1.00 0.00 O ATOM 0 H SER A 6 17.831 4.417 -10.460 1.00 0.00 H new ATOM 0 HA SER A 6 18.265 6.283 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.208 7.491 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.001 6.660 -10.192 1.00 0.00 H new ATOM 0 HG SER A 6 14.198 6.342 -8.768 1.00 0.00 H new ATOM 59 N GLY A 7 18.383 4.499 -7.009 1.00 0.00 N ATOM 60 CA GLY A 7 18.650 4.229 -5.608 1.00 0.00 C ATOM 61 C GLY A 7 18.085 2.897 -5.155 1.00 0.00 C ATOM 62 O GLY A 7 18.715 1.850 -5.301 1.00 0.00 O ATOM 0 H GLY A 7 18.809 3.840 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.727 4.240 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.223 5.027 -5.000 1.00 0.00 H new ATOM 66 N PRO A 8 16.869 2.927 -4.590 1.00 0.00 N ATOM 67 CA PRO A 8 16.193 1.721 -4.102 1.00 0.00 C ATOM 68 C PRO A 8 15.750 0.806 -5.238 1.00 0.00 C ATOM 69 O PRO A 8 16.042 1.063 -6.406 1.00 0.00 O ATOM 70 CB PRO A 8 14.977 2.274 -3.355 1.00 0.00 C ATOM 71 CG PRO A 8 14.715 3.599 -3.985 1.00 0.00 C ATOM 72 CD PRO A 8 16.060 4.140 -4.384 1.00 0.00 C ATOM 0 HA PRO A 8 16.848 1.108 -3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.117 1.612 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.180 2.376 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.062 3.497 -4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.215 4.271 -3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.998 4.741 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.483 4.778 -3.608 1.00 0.00 H new ATOM 80 N PHE A 9 15.043 -0.264 -4.888 1.00 0.00 N ATOM 81 CA PHE A 9 14.560 -1.219 -5.878 1.00 0.00 C ATOM 82 C PHE A 9 13.049 -1.100 -6.057 1.00 0.00 C ATOM 83 O PHE A 9 12.349 -2.104 -6.189 1.00 0.00 O ATOM 84 CB PHE A 9 14.925 -2.645 -5.463 1.00 0.00 C ATOM 85 CG PHE A 9 16.356 -3.005 -5.746 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.387 -2.401 -5.045 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.670 -3.947 -6.713 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.705 -2.729 -5.304 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.985 -4.279 -6.976 1.00 0.00 C ATOM 90 CZ PHE A 9 19.004 -3.670 -6.270 1.00 0.00 C ATOM 0 H PHE A 9 14.792 -0.491 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 9 15.040 -0.991 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.733 -2.765 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.273 -3.345 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.159 -1.666 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.877 -4.427 -7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.500 -2.250 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.216 -5.014 -7.733 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.033 -3.929 -6.473 1.00 0.00 H new ATOM 100 N ILE A 10 12.555 0.134 -6.059 1.00 0.00 N ATOM 101 CA ILE A 10 11.129 0.384 -6.221 1.00 0.00 C ATOM 102 C ILE A 10 10.865 1.316 -7.399 1.00 0.00 C ATOM 103 O ILE A 10 10.824 2.536 -7.241 1.00 0.00 O ATOM 104 CB ILE A 10 10.516 0.998 -4.948 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.725 0.063 -3.754 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.036 1.279 -5.155 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.580 0.752 -2.415 1.00 0.00 C ATOM 0 H ILE A 10 13.121 0.975 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 10 10.659 -0.581 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 10 11.019 1.942 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.006 -0.754 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.718 -0.381 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.617 1.713 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.911 1.978 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.518 0.348 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.741 0.030 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.317 1.552 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.578 1.172 -2.329 1.00 0.00 H new ATOM 119 N MET A 11 10.685 0.733 -8.579 1.00 0.00 N ATOM 120 CA MET A 11 10.421 1.512 -9.784 1.00 0.00 C ATOM 121 C MET A 11 9.589 2.749 -9.460 1.00 0.00 C ATOM 122 O MET A 11 9.948 3.865 -9.836 1.00 0.00 O ATOM 123 CB MET A 11 9.698 0.654 -10.824 1.00 0.00 C ATOM 124 CG MET A 11 10.474 -0.587 -11.233 1.00 0.00 C ATOM 125 SD MET A 11 11.562 -0.293 -12.640 1.00 0.00 S ATOM 126 CE MET A 11 12.649 -1.713 -12.530 1.00 0.00 C ATOM 0 H MET A 11 10.717 -0.276 -8.727 1.00 0.00 H new ATOM 0 HA MET A 11 11.378 1.836 -10.194 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.730 0.352 -10.424 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.503 1.259 -11.710 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.066 -0.936 -10.387 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.773 -1.384 -11.481 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.381 -1.674 -13.336 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.165 -1.702 -11.570 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.063 -2.628 -12.616 1.00 0.00 H new ATOM 136 N ASP A 12 8.478 2.543 -8.762 1.00 0.00 N ATOM 137 CA ASP A 12 7.596 3.642 -8.387 1.00 0.00 C ATOM 138 C ASP A 12 7.205 3.547 -6.916 1.00 0.00 C ATOM 139 O ASP A 12 6.682 2.528 -6.467 1.00 0.00 O ATOM 140 CB ASP A 12 6.342 3.638 -9.262 1.00 0.00 C ATOM 141 CG ASP A 12 5.591 4.954 -9.204 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.504 5.539 -8.104 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.090 5.399 -10.258 1.00 0.00 O ATOM 0 H ASP A 12 8.167 1.625 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 12 8.135 4.577 -8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.623 3.429 -10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.682 2.832 -8.942 1.00 0.00 H new ATOM 148 N ALA A 13 7.463 4.617 -6.170 1.00 0.00 N ATOM 149 CA ALA A 13 7.137 4.654 -4.750 1.00 0.00 C ATOM 150 C ALA A 13 5.763 5.273 -4.518 1.00 0.00 C ATOM 151 O ALA A 13 5.349 6.203 -5.211 1.00 0.00 O ATOM 152 CB ALA A 13 8.201 5.426 -3.984 1.00 0.00 C ATOM 0 H ALA A 13 7.897 5.469 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 13 7.112 3.628 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.945 5.446 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.168 4.940 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.254 6.446 -4.363 1.00 0.00 H new ATOM 158 N PRO A 14 5.036 4.747 -3.521 1.00 0.00 N ATOM 159 CA PRO A 14 3.697 5.232 -3.175 1.00 0.00 C ATOM 160 C PRO A 14 3.728 6.623 -2.550 1.00 0.00 C ATOM 161 O PRO A 14 4.693 6.991 -1.881 1.00 0.00 O ATOM 162 CB PRO A 14 3.196 4.201 -2.161 1.00 0.00 C ATOM 163 CG PRO A 14 4.434 3.629 -1.561 1.00 0.00 C ATOM 164 CD PRO A 14 5.467 3.637 -2.654 1.00 0.00 C ATOM 0 HA PRO A 14 3.060 5.329 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.566 4.665 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.597 3.429 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.764 4.222 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.259 2.617 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.469 3.801 -2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.489 2.690 -3.194 1.00 0.00 H new ATOM 172 N ARG A 15 2.666 7.390 -2.772 1.00 0.00 N ATOM 173 CA ARG A 15 2.573 8.741 -2.231 1.00 0.00 C ATOM 174 C ARG A 15 1.237 8.953 -1.525 1.00 0.00 C ATOM 175 O ARG A 15 0.266 8.242 -1.787 1.00 0.00 O ATOM 176 CB ARG A 15 2.742 9.774 -3.347 1.00 0.00 C ATOM 177 CG ARG A 15 2.797 11.208 -2.846 1.00 0.00 C ATOM 178 CD ARG A 15 3.097 12.181 -3.976 1.00 0.00 C ATOM 179 NE ARG A 15 4.515 12.193 -4.325 1.00 0.00 N ATOM 180 CZ ARG A 15 5.051 13.046 -5.191 1.00 0.00 C ATOM 181 NH1 ARG A 15 4.292 13.950 -5.793 1.00 0.00 N ATOM 182 NH2 ARG A 15 6.351 12.995 -5.456 1.00 0.00 N ATOM 0 H ARG A 15 1.858 7.099 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 15 3.374 8.869 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.657 9.555 -3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.915 9.675 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.846 11.469 -2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.563 11.296 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.510 11.910 -4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.787 13.184 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 15 5.127 11.509 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.293 13.993 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.707 14.603 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.939 12.301 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.762 13.650 -6.121 1.00 0.00 H new ATOM 196 N ASP A 16 1.195 9.934 -0.631 1.00 0.00 N ATOM 197 CA ASP A 16 -0.022 10.239 0.112 1.00 0.00 C ATOM 198 C ASP A 16 -1.242 10.196 -0.802 1.00 0.00 C ATOM 199 O ASP A 16 -1.263 10.830 -1.858 1.00 0.00 O ATOM 200 CB ASP A 16 0.089 11.616 0.771 1.00 0.00 C ATOM 201 CG ASP A 16 -0.400 12.731 -0.133 1.00 0.00 C ATOM 202 OD1 ASP A 16 0.273 13.011 -1.146 1.00 0.00 O ATOM 203 OD2 ASP A 16 -1.456 13.323 0.174 1.00 0.00 O ATOM 0 H ASP A 16 1.989 10.532 -0.403 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.144 9.482 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.489 11.621 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.128 11.802 1.044 1.00 0.00 H new ATOM 208 N LEU A 17 -2.257 9.445 -0.390 1.00 0.00 N ATOM 209 CA LEU A 17 -3.482 9.317 -1.173 1.00 0.00 C ATOM 210 C LEU A 17 -4.687 9.821 -0.384 1.00 0.00 C ATOM 211 O LEU A 17 -4.762 9.648 0.831 1.00 0.00 O ATOM 212 CB LEU A 17 -3.700 7.860 -1.582 1.00 0.00 C ATOM 213 CG LEU A 17 -5.034 7.545 -2.259 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.032 8.035 -3.699 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.322 6.052 -2.202 1.00 0.00 C ATOM 0 H LEU A 17 -2.257 8.915 0.482 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.376 9.927 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.895 7.569 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.611 7.237 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.824 8.068 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.990 7.802 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.873 9.113 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.231 7.542 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.275 5.847 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.528 5.509 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.369 5.730 -1.162 1.00 0.00 H new ATOM 227 N ASN A 18 -5.628 10.445 -1.086 1.00 0.00 N ATOM 228 CA ASN A 18 -6.830 10.972 -0.452 1.00 0.00 C ATOM 229 C ASN A 18 -8.085 10.385 -1.090 1.00 0.00 C ATOM 230 O ASN A 18 -8.436 10.725 -2.220 1.00 0.00 O ATOM 231 CB ASN A 18 -6.859 12.499 -0.555 1.00 0.00 C ATOM 232 CG ASN A 18 -6.858 12.980 -1.993 1.00 0.00 C ATOM 233 OD1 ASN A 18 -5.826 12.963 -2.665 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.018 13.414 -2.473 1.00 0.00 N ATOM 0 H ASN A 18 -5.581 10.598 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.811 10.685 0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.746 12.878 -0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.994 12.912 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.078 13.751 -3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.848 13.410 -1.881 1.00 0.00 H new ATOM 241 N ILE A 19 -8.756 9.501 -0.359 1.00 0.00 N ATOM 242 CA ILE A 19 -9.972 8.867 -0.854 1.00 0.00 C ATOM 243 C ILE A 19 -11.078 8.908 0.195 1.00 0.00 C ATOM 244 O ILE A 19 -10.811 8.866 1.396 1.00 0.00 O ATOM 245 CB ILE A 19 -9.719 7.403 -1.260 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.022 6.745 -1.717 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.106 6.630 -0.102 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.813 5.574 -2.651 1.00 0.00 C ATOM 0 H ILE A 19 -8.478 9.208 0.578 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.286 9.430 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.016 7.389 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.575 6.406 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.641 7.491 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.933 5.597 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.158 7.089 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.787 6.649 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.780 5.157 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.288 5.911 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.221 4.809 -2.149 1.00 0.00 H new ATOM 260 N SER A 20 -12.322 8.988 -0.268 1.00 0.00 N ATOM 261 CA SER A 20 -13.470 9.036 0.630 1.00 0.00 C ATOM 262 C SER A 20 -13.741 7.664 1.239 1.00 0.00 C ATOM 263 O SER A 20 -13.192 6.656 0.794 1.00 0.00 O ATOM 264 CB SER A 20 -14.710 9.528 -0.119 1.00 0.00 C ATOM 265 OG SER A 20 -14.663 10.931 -0.316 1.00 0.00 O ATOM 0 H SER A 20 -12.560 9.021 -1.259 1.00 0.00 H new ATOM 0 HA SER A 20 -13.241 9.733 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.780 9.024 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.606 9.266 0.443 1.00 0.00 H new ATOM 0 HG SER A 20 -15.465 11.221 -0.798 1.00 0.00 H new ATOM 271 N GLU A 21 -14.593 7.634 2.259 1.00 0.00 N ATOM 272 CA GLU A 21 -14.937 6.386 2.930 1.00 0.00 C ATOM 273 C GLU A 21 -15.868 5.541 2.065 1.00 0.00 C ATOM 274 O GLU A 21 -16.705 6.071 1.336 1.00 0.00 O ATOM 275 CB GLU A 21 -15.597 6.672 4.281 1.00 0.00 C ATOM 276 CG GLU A 21 -16.243 5.450 4.913 1.00 0.00 C ATOM 277 CD GLU A 21 -17.689 5.272 4.493 1.00 0.00 C ATOM 278 OE1 GLU A 21 -18.432 6.276 4.478 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.078 4.128 4.178 1.00 0.00 O ATOM 0 H GLU A 21 -15.057 8.459 2.638 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.016 5.827 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.848 7.071 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.353 7.446 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.676 4.561 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.192 5.537 5.998 1.00 0.00 H new ATOM 286 N GLY A 22 -15.714 4.223 2.152 1.00 0.00 N ATOM 287 CA GLY A 22 -16.547 3.327 1.372 1.00 0.00 C ATOM 288 C GLY A 22 -16.257 3.412 -0.114 1.00 0.00 C ATOM 289 O GLY A 22 -17.172 3.357 -0.936 1.00 0.00 O ATOM 0 H GLY A 22 -15.028 3.760 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.391 2.303 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.596 3.565 1.549 1.00 0.00 H new ATOM 293 N ARG A 23 -14.981 3.547 -0.460 1.00 0.00 N ATOM 294 CA ARG A 23 -14.574 3.643 -1.856 1.00 0.00 C ATOM 295 C ARG A 23 -13.356 2.765 -2.129 1.00 0.00 C ATOM 296 O ARG A 23 -12.710 2.278 -1.202 1.00 0.00 O ATOM 297 CB ARG A 23 -14.260 5.096 -2.220 1.00 0.00 C ATOM 298 CG ARG A 23 -15.450 6.030 -2.075 1.00 0.00 C ATOM 299 CD ARG A 23 -15.335 7.227 -3.007 1.00 0.00 C ATOM 300 NE ARG A 23 -16.514 8.086 -2.943 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.690 7.761 -3.469 1.00 0.00 C ATOM 302 NH1 ARG A 23 -17.842 6.602 -4.095 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.716 8.596 -3.370 1.00 0.00 N ATOM 0 H ARG A 23 -14.211 3.592 0.208 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.400 3.291 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.449 5.454 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.901 5.135 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.369 5.486 -2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.519 6.376 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.450 7.806 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.196 6.878 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.430 8.985 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.055 5.958 -4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.746 6.355 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.603 9.489 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.618 8.345 -3.774 1.00 0.00 H new ATOM 317 N MET A 24 -13.050 2.567 -3.407 1.00 0.00 N ATOM 318 CA MET A 24 -11.910 1.748 -3.802 1.00 0.00 C ATOM 319 C MET A 24 -10.630 2.578 -3.834 1.00 0.00 C ATOM 320 O MET A 24 -10.567 3.613 -4.495 1.00 0.00 O ATOM 321 CB MET A 24 -12.158 1.118 -5.173 1.00 0.00 C ATOM 322 CG MET A 24 -11.466 -0.223 -5.360 1.00 0.00 C ATOM 323 SD MET A 24 -12.216 -1.215 -6.666 1.00 0.00 S ATOM 324 CE MET A 24 -11.391 -2.785 -6.414 1.00 0.00 C ATOM 0 H MET A 24 -13.576 2.962 -4.187 1.00 0.00 H new ATOM 0 HA MET A 24 -11.790 0.956 -3.063 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.231 0.987 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.816 1.805 -5.947 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.415 -0.056 -5.594 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.499 -0.778 -4.423 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.052 -3.596 -6.720 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.478 -2.816 -7.009 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.140 -2.899 -5.359 1.00 0.00 H new ATOM 334 N ALA A 25 -9.613 2.116 -3.114 1.00 0.00 N ATOM 335 CA ALA A 25 -8.335 2.814 -3.062 1.00 0.00 C ATOM 336 C ALA A 25 -7.201 1.922 -3.557 1.00 0.00 C ATOM 337 O ALA A 25 -7.372 0.713 -3.710 1.00 0.00 O ATOM 338 CB ALA A 25 -8.052 3.293 -1.646 1.00 0.00 C ATOM 0 H ALA A 25 -9.650 1.261 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.396 3.680 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.094 3.813 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.842 3.973 -1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.017 2.437 -0.972 1.00 0.00 H new ATOM 344 N GLU A 26 -6.044 2.527 -3.806 1.00 0.00 N ATOM 345 CA GLU A 26 -4.883 1.786 -4.285 1.00 0.00 C ATOM 346 C GLU A 26 -3.594 2.553 -4.003 1.00 0.00 C ATOM 347 O GLU A 26 -3.561 3.782 -4.074 1.00 0.00 O ATOM 348 CB GLU A 26 -5.008 1.512 -5.785 1.00 0.00 C ATOM 349 CG GLU A 26 -6.220 0.671 -6.151 1.00 0.00 C ATOM 350 CD GLU A 26 -6.287 0.359 -7.633 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.429 -0.409 -8.117 1.00 0.00 O ATOM 352 OE2 GLU A 26 -7.197 0.882 -8.309 1.00 0.00 O ATOM 0 H GLU A 26 -5.886 3.527 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.845 0.836 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.062 2.462 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.107 1.005 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.194 -0.262 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.127 1.198 -5.853 1.00 0.00 H new ATOM 359 N LEU A 27 -2.534 1.819 -3.682 1.00 0.00 N ATOM 360 CA LEU A 27 -1.242 2.428 -3.389 1.00 0.00 C ATOM 361 C LEU A 27 -0.248 2.168 -4.517 1.00 0.00 C ATOM 362 O LEU A 27 0.205 1.039 -4.712 1.00 0.00 O ATOM 363 CB LEU A 27 -0.687 1.886 -2.070 1.00 0.00 C ATOM 364 CG LEU A 27 -1.172 2.586 -0.800 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.114 1.638 0.387 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.343 3.834 -0.530 1.00 0.00 C ATOM 0 H LEU A 27 -2.544 0.801 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.388 3.504 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.943 0.829 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.401 1.949 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.209 2.888 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.463 2.154 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.751 0.774 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.087 1.305 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.702 4.320 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.703 3.555 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.436 4.522 -1.371 1.00 0.00 H new ATOM 378 N LYS A 28 0.089 3.219 -5.256 1.00 0.00 N ATOM 379 CA LYS A 28 1.032 3.106 -6.362 1.00 0.00 C ATOM 380 C LYS A 28 2.371 2.557 -5.882 1.00 0.00 C ATOM 381 O LYS A 28 3.159 3.270 -5.260 1.00 0.00 O ATOM 382 CB LYS A 28 1.237 4.470 -7.026 1.00 0.00 C ATOM 383 CG LYS A 28 0.052 4.925 -7.860 1.00 0.00 C ATOM 384 CD LYS A 28 0.169 4.453 -9.300 1.00 0.00 C ATOM 385 CE LYS A 28 -1.172 4.507 -10.015 1.00 0.00 C ATOM 386 NZ LYS A 28 -2.111 3.466 -9.514 1.00 0.00 N ATOM 0 H LYS A 28 -0.277 4.160 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 28 0.615 2.412 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.435 5.214 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.122 4.426 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.870 4.540 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.014 6.013 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.890 5.075 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.552 3.433 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.617 5.493 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.018 4.372 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.876 3.327 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.598 2.571 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.515 3.771 -8.606 1.00 0.00 H new ATOM 400 N CYS A 29 2.624 1.286 -6.176 1.00 0.00 N ATOM 401 CA CYS A 29 3.869 0.641 -5.774 1.00 0.00 C ATOM 402 C CYS A 29 4.285 -0.417 -6.791 1.00 0.00 C ATOM 403 O CYS A 29 3.515 -1.323 -7.110 1.00 0.00 O ATOM 404 CB CYS A 29 3.715 0.005 -4.392 1.00 0.00 C ATOM 405 SG CYS A 29 4.989 -1.215 -3.995 1.00 0.00 S ATOM 0 H CYS A 29 1.984 0.682 -6.691 1.00 0.00 H new ATOM 0 HA CYS A 29 4.647 1.403 -5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.733 0.792 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.737 -0.473 -4.331 1.00 0.00 H new ATOM 0 HG CYS A 29 5.312 -1.112 -2.740 1.00 0.00 H new ATOM 411 N ARG A 30 5.508 -0.295 -7.296 1.00 0.00 N ATOM 412 CA ARG A 30 6.026 -1.240 -8.279 1.00 0.00 C ATOM 413 C ARG A 30 7.264 -1.955 -7.746 1.00 0.00 C ATOM 414 O ARG A 30 8.228 -1.318 -7.320 1.00 0.00 O ATOM 415 CB ARG A 30 6.364 -0.517 -9.584 1.00 0.00 C ATOM 416 CG ARG A 30 5.146 -0.179 -10.427 1.00 0.00 C ATOM 417 CD ARG A 30 5.513 -0.006 -11.893 1.00 0.00 C ATOM 418 NE ARG A 30 5.439 -1.265 -12.628 1.00 0.00 N ATOM 419 CZ ARG A 30 4.301 -1.896 -12.894 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.146 -1.386 -12.487 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.316 -3.039 -13.569 1.00 0.00 N ATOM 0 H ARG A 30 6.159 0.448 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 30 5.253 -1.984 -8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.901 0.403 -9.351 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.039 -1.140 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.403 -0.970 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.688 0.737 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.842 0.721 -12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.522 0.399 -11.969 1.00 0.00 H new ATOM 0 HE ARG A 30 6.310 -1.683 -12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.131 -0.508 -11.969 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.273 -1.872 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.202 -3.434 -13.884 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.441 -3.523 -13.773 1.00 0.00 H new ATOM 435 N THR A 31 7.230 -3.284 -7.771 1.00 0.00 N ATOM 436 CA THR A 31 8.347 -4.086 -7.289 1.00 0.00 C ATOM 437 C THR A 31 8.846 -5.040 -8.369 1.00 0.00 C ATOM 438 O THR A 31 8.082 -5.524 -9.204 1.00 0.00 O ATOM 439 CB THR A 31 7.956 -4.901 -6.042 1.00 0.00 C ATOM 440 OG1 THR A 31 6.749 -5.630 -6.291 1.00 0.00 O ATOM 441 CG2 THR A 31 7.766 -3.991 -4.838 1.00 0.00 C ATOM 0 H THR A 31 6.440 -3.827 -8.120 1.00 0.00 H new ATOM 0 HA THR A 31 9.144 -3.391 -7.025 1.00 0.00 H new ATOM 0 HB THR A 31 8.763 -5.600 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.920 -6.590 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.490 -4.589 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.696 -3.460 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.976 -3.270 -5.048 1.00 0.00 H new ATOM 449 N PRO A 32 10.158 -5.317 -8.355 1.00 0.00 N ATOM 450 CA PRO A 32 10.788 -6.216 -9.326 1.00 0.00 C ATOM 451 C PRO A 32 10.378 -7.670 -9.120 1.00 0.00 C ATOM 452 O PRO A 32 9.788 -8.036 -8.104 1.00 0.00 O ATOM 453 CB PRO A 32 12.284 -6.038 -9.056 1.00 0.00 C ATOM 454 CG PRO A 32 12.362 -5.597 -7.635 1.00 0.00 C ATOM 455 CD PRO A 32 11.128 -4.775 -7.388 1.00 0.00 C ATOM 0 HA PRO A 32 10.495 -5.981 -10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.828 -6.970 -9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.722 -5.297 -9.725 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.401 -6.454 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.263 -5.011 -7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.774 -4.880 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.312 -3.714 -7.555 1.00 0.00 H new ATOM 463 N PRO A 33 10.698 -8.521 -10.107 1.00 0.00 N ATOM 464 CA PRO A 33 10.373 -9.950 -10.056 1.00 0.00 C ATOM 465 C PRO A 33 11.199 -10.695 -9.013 1.00 0.00 C ATOM 466 O PRO A 33 12.342 -10.333 -8.739 1.00 0.00 O ATOM 467 CB PRO A 33 10.719 -10.442 -11.464 1.00 0.00 C ATOM 468 CG PRO A 33 11.747 -9.484 -11.959 1.00 0.00 C ATOM 469 CD PRO A 33 11.401 -8.154 -11.348 1.00 0.00 C ATOM 0 HA PRO A 33 9.335 -10.123 -9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.105 -11.461 -11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.840 -10.447 -12.109 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.748 -9.800 -11.666 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.737 -9.428 -13.048 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.293 -7.561 -11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.768 -7.561 -12.008 1.00 0.00 H new ATOM 477 N MET A 34 10.612 -11.739 -8.436 1.00 0.00 N ATOM 478 CA MET A 34 11.296 -12.536 -7.424 1.00 0.00 C ATOM 479 C MET A 34 11.607 -11.696 -6.189 1.00 0.00 C ATOM 480 O MET A 34 12.723 -11.730 -5.670 1.00 0.00 O ATOM 481 CB MET A 34 12.587 -13.124 -7.994 1.00 0.00 C ATOM 482 CG MET A 34 12.364 -14.032 -9.193 1.00 0.00 C ATOM 483 SD MET A 34 13.652 -15.282 -9.367 1.00 0.00 S ATOM 484 CE MET A 34 12.696 -16.783 -9.160 1.00 0.00 C ATOM 0 H MET A 34 9.666 -12.052 -8.652 1.00 0.00 H new ATOM 0 HA MET A 34 10.634 -13.350 -7.130 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.251 -12.309 -8.284 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.096 -13.687 -7.212 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.396 -14.524 -9.096 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.325 -13.428 -10.099 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.354 -17.648 -9.242 1.00 0.00 H new ATOM 0 HE2 MET A 34 12.221 -16.780 -8.179 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.930 -16.836 -9.933 1.00 0.00 H new ATOM 494 N SER A 35 10.615 -10.943 -5.725 1.00 0.00 N ATOM 495 CA SER A 35 10.785 -10.092 -4.554 1.00 0.00 C ATOM 496 C SER A 35 9.597 -10.228 -3.606 1.00 0.00 C ATOM 497 O SER A 35 8.497 -10.592 -4.020 1.00 0.00 O ATOM 498 CB SER A 35 10.949 -8.631 -4.979 1.00 0.00 C ATOM 499 OG SER A 35 12.028 -8.481 -5.885 1.00 0.00 O ATOM 0 H SER A 35 9.685 -10.905 -6.142 1.00 0.00 H new ATOM 0 HA SER A 35 11.685 -10.414 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.028 -8.279 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.120 -8.010 -4.099 1.00 0.00 H new ATOM 0 HG SER A 35 11.702 -8.589 -6.803 1.00 0.00 H new ATOM 505 N SER A 36 9.829 -9.932 -2.331 1.00 0.00 N ATOM 506 CA SER A 36 8.780 -10.024 -1.322 1.00 0.00 C ATOM 507 C SER A 36 8.082 -8.680 -1.140 1.00 0.00 C ATOM 508 O SER A 36 8.725 -7.663 -0.879 1.00 0.00 O ATOM 509 CB SER A 36 9.366 -10.492 0.012 1.00 0.00 C ATOM 510 OG SER A 36 8.368 -10.543 1.017 1.00 0.00 O ATOM 0 H SER A 36 10.734 -9.627 -1.972 1.00 0.00 H new ATOM 0 HA SER A 36 8.044 -10.752 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.815 -11.478 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.163 -9.815 0.320 1.00 0.00 H new ATOM 0 HG SER A 36 8.767 -10.846 1.859 1.00 0.00 H new ATOM 516 N VAL A 37 6.760 -8.684 -1.280 1.00 0.00 N ATOM 517 CA VAL A 37 5.972 -7.466 -1.130 1.00 0.00 C ATOM 518 C VAL A 37 5.127 -7.511 0.138 1.00 0.00 C ATOM 519 O VAL A 37 4.315 -8.417 0.325 1.00 0.00 O ATOM 520 CB VAL A 37 5.048 -7.243 -2.342 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.214 -5.985 -2.153 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.862 -7.165 -3.625 1.00 0.00 C ATOM 0 H VAL A 37 6.212 -9.517 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 37 6.678 -6.638 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 37 4.369 -8.092 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.567 -5.844 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.603 -6.085 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.874 -5.124 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.193 -7.007 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.566 -6.335 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.411 -8.096 -3.765 1.00 0.00 H new ATOM 532 N LYS A 38 5.322 -6.526 1.008 1.00 0.00 N ATOM 533 CA LYS A 38 4.577 -6.450 2.259 1.00 0.00 C ATOM 534 C LYS A 38 4.098 -5.026 2.522 1.00 0.00 C ATOM 535 O LYS A 38 4.618 -4.070 1.945 1.00 0.00 O ATOM 536 CB LYS A 38 5.446 -6.930 3.424 1.00 0.00 C ATOM 537 CG LYS A 38 5.928 -8.362 3.273 1.00 0.00 C ATOM 538 CD LYS A 38 6.179 -9.011 4.624 1.00 0.00 C ATOM 539 CE LYS A 38 7.515 -8.580 5.210 1.00 0.00 C ATOM 540 NZ LYS A 38 8.635 -9.432 4.723 1.00 0.00 N ATOM 0 H LYS A 38 5.991 -5.768 0.869 1.00 0.00 H new ATOM 0 HA LYS A 38 3.705 -7.098 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.310 -6.272 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.878 -6.842 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.186 -8.941 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.845 -8.378 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.376 -8.745 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.160 -10.096 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.709 -7.540 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.467 -8.630 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.528 -9.106 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.463 -10.421 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.697 -9.365 3.687 1.00 0.00 H new ATOM 554 N TRP A 39 3.107 -4.892 3.395 1.00 0.00 N ATOM 555 CA TRP A 39 2.559 -3.583 3.735 1.00 0.00 C ATOM 556 C TRP A 39 2.254 -3.491 5.226 1.00 0.00 C ATOM 557 O TRP A 39 1.391 -4.205 5.738 1.00 0.00 O ATOM 558 CB TRP A 39 1.291 -3.313 2.924 1.00 0.00 C ATOM 559 CG TRP A 39 1.563 -2.979 1.489 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.678 -3.858 0.450 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.756 -1.673 0.934 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.931 -3.177 -0.716 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.983 -1.835 -0.446 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.756 -0.382 1.469 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.209 -0.756 -1.296 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.982 0.689 0.625 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.204 0.497 -0.745 1.00 0.00 C ATOM 0 H TRP A 39 2.666 -5.673 3.881 1.00 0.00 H new ATOM 0 HA TRP A 39 3.306 -2.828 3.490 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.646 -4.190 2.969 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.743 -2.490 3.383 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.584 -4.931 0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.059 -3.602 -1.634 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.582 -0.224 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.382 -0.902 -2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.988 1.691 1.028 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.375 1.355 -1.379 1.00 0.00 H new ATOM 578 N LEU A 40 2.966 -2.609 5.917 1.00 0.00 N ATOM 579 CA LEU A 40 2.771 -2.423 7.351 1.00 0.00 C ATOM 580 C LEU A 40 1.626 -1.452 7.624 1.00 0.00 C ATOM 581 O LEU A 40 1.453 -0.464 6.909 1.00 0.00 O ATOM 582 CB LEU A 40 4.057 -1.908 7.999 1.00 0.00 C ATOM 583 CG LEU A 40 4.205 -2.169 9.498 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.633 -1.901 9.948 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.226 -1.313 10.288 1.00 0.00 C ATOM 0 H LEU A 40 3.684 -2.011 5.508 1.00 0.00 H new ATOM 0 HA LEU A 40 2.515 -3.389 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.905 -2.362 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.120 -0.833 7.830 1.00 0.00 H new ATOM 0 HG LEU A 40 3.976 -3.217 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.719 -2.092 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.314 -2.557 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.890 -0.862 9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.346 -1.512 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.423 -0.259 10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.207 -1.554 9.986 1.00 0.00 H new ATOM 597 N LEU A 41 0.849 -1.739 8.662 1.00 0.00 N ATOM 598 CA LEU A 41 -0.278 -0.889 9.031 1.00 0.00 C ATOM 599 C LEU A 41 0.091 0.034 10.187 1.00 0.00 C ATOM 600 O LEU A 41 0.956 -0.274 11.008 1.00 0.00 O ATOM 601 CB LEU A 41 -1.485 -1.748 9.415 1.00 0.00 C ATOM 602 CG LEU A 41 -1.987 -2.717 8.344 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.249 -1.982 7.039 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.985 -3.843 8.132 1.00 0.00 C ATOM 0 H LEU A 41 0.978 -2.553 9.263 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.536 -0.275 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.228 -2.323 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.305 -1.085 9.690 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.926 -3.152 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.606 -2.688 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.003 -1.212 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.326 -1.518 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.359 -4.523 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.031 -3.425 7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.847 -4.388 9.066 1.00 0.00 H new ATOM 616 N PRO A 42 -0.579 1.194 10.257 1.00 0.00 N ATOM 617 CA PRO A 42 -0.340 2.185 11.310 1.00 0.00 C ATOM 618 C PRO A 42 -0.827 1.709 12.675 1.00 0.00 C ATOM 619 O PRO A 42 -0.756 2.443 13.659 1.00 0.00 O ATOM 620 CB PRO A 42 -1.151 3.398 10.846 1.00 0.00 C ATOM 621 CG PRO A 42 -2.225 2.829 9.985 1.00 0.00 C ATOM 622 CD PRO A 42 -1.623 1.626 9.312 1.00 0.00 C ATOM 0 HA PRO A 42 0.722 2.391 11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.569 3.942 11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.530 4.101 10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.095 2.549 10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.563 3.559 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.365 0.844 9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.204 1.878 8.338 1.00 0.00 H new ATOM 630 N ASN A 43 -1.320 0.476 12.725 1.00 0.00 N ATOM 631 CA ASN A 43 -1.819 -0.097 13.970 1.00 0.00 C ATOM 632 C ASN A 43 -0.791 -1.044 14.582 1.00 0.00 C ATOM 633 O ASN A 43 -0.902 -1.430 15.745 1.00 0.00 O ATOM 634 CB ASN A 43 -3.132 -0.843 13.722 1.00 0.00 C ATOM 635 CG ASN A 43 -3.212 -1.424 12.324 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.690 -0.771 11.395 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.744 -2.657 12.167 1.00 0.00 N ATOM 0 H ASN A 43 -1.385 -0.145 11.919 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.999 0.718 14.671 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.234 -1.646 14.452 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.969 -0.162 13.878 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.772 -3.100 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.357 -3.161 12.965 1.00 0.00 H new ATOM 644 N GLY A 44 0.211 -1.414 13.790 1.00 0.00 N ATOM 645 CA GLY A 44 1.245 -2.312 14.272 1.00 0.00 C ATOM 646 C GLY A 44 1.367 -3.563 13.425 1.00 0.00 C ATOM 647 O GLY A 44 2.470 -4.056 13.186 1.00 0.00 O ATOM 0 H GLY A 44 0.325 -1.108 12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.201 -1.789 14.281 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.026 -2.594 15.302 1.00 0.00 H new ATOM 651 N THR A 45 0.230 -4.081 12.969 1.00 0.00 N ATOM 652 CA THR A 45 0.214 -5.284 12.147 1.00 0.00 C ATOM 653 C THR A 45 0.785 -5.009 10.760 1.00 0.00 C ATOM 654 O THR A 45 1.048 -3.861 10.402 1.00 0.00 O ATOM 655 CB THR A 45 -1.213 -5.844 11.999 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.905 -5.759 13.251 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.181 -7.291 11.530 1.00 0.00 C ATOM 0 H THR A 45 -0.691 -3.685 13.156 1.00 0.00 H new ATOM 0 HA THR A 45 0.836 -6.022 12.654 1.00 0.00 H new ATOM 0 HB THR A 45 -1.738 -5.248 11.252 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.812 -6.115 13.148 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.200 -7.665 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.680 -7.349 10.564 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.640 -7.897 12.257 1.00 0.00 H new ATOM 665 N VAL A 46 0.975 -6.071 9.983 1.00 0.00 N ATOM 666 CA VAL A 46 1.514 -5.944 8.634 1.00 0.00 C ATOM 667 C VAL A 46 1.059 -7.099 7.750 1.00 0.00 C ATOM 668 O VAL A 46 1.201 -8.267 8.113 1.00 0.00 O ATOM 669 CB VAL A 46 3.054 -5.898 8.647 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.621 -7.158 9.282 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.592 -5.713 7.236 1.00 0.00 C ATOM 0 H VAL A 46 0.764 -7.028 10.265 1.00 0.00 H new ATOM 0 HA VAL A 46 1.133 -5.007 8.228 1.00 0.00 H new ATOM 0 HB VAL A 46 3.370 -5.045 9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.710 -7.107 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.262 -7.242 10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.299 -8.029 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.681 -5.683 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.268 -6.545 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.213 -4.779 6.822 1.00 0.00 H new ATOM 681 N LEU A 47 0.511 -6.766 6.586 1.00 0.00 N ATOM 682 CA LEU A 47 0.034 -7.775 5.648 1.00 0.00 C ATOM 683 C LEU A 47 1.056 -8.016 4.541 1.00 0.00 C ATOM 684 O LEU A 47 2.040 -7.286 4.422 1.00 0.00 O ATOM 685 CB LEU A 47 -1.302 -7.344 5.039 1.00 0.00 C ATOM 686 CG LEU A 47 -2.431 -7.063 6.030 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.614 -6.419 5.323 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.859 -8.346 6.729 1.00 0.00 C ATOM 0 H LEU A 47 0.386 -5.804 6.270 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.107 -8.706 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.135 -6.445 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.634 -8.123 4.352 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.062 -6.368 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.408 -6.226 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.299 -5.479 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.983 -7.090 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.664 -8.127 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.209 -9.065 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.011 -8.766 7.269 1.00 0.00 H new ATOM 700 N SER A 48 0.814 -9.043 3.732 1.00 0.00 N ATOM 701 CA SER A 48 1.714 -9.381 2.636 1.00 0.00 C ATOM 702 C SER A 48 0.998 -10.222 1.584 1.00 0.00 C ATOM 703 O SER A 48 -0.121 -10.688 1.802 1.00 0.00 O ATOM 704 CB SER A 48 2.935 -10.136 3.165 1.00 0.00 C ATOM 705 OG SER A 48 2.560 -11.380 3.730 1.00 0.00 O ATOM 0 H SER A 48 0.002 -9.655 3.815 1.00 0.00 H new ATOM 0 HA SER A 48 2.044 -8.452 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.644 -10.301 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.444 -9.531 3.915 1.00 0.00 H new ATOM 0 HG SER A 48 3.358 -11.844 4.059 1.00 0.00 H new ATOM 711 N HIS A 49 1.651 -10.413 0.442 1.00 0.00 N ATOM 712 CA HIS A 49 1.077 -11.199 -0.644 1.00 0.00 C ATOM 713 C HIS A 49 0.350 -12.426 -0.103 1.00 0.00 C ATOM 714 O HIS A 49 -0.637 -12.879 -0.680 1.00 0.00 O ATOM 715 CB HIS A 49 2.171 -11.630 -1.622 1.00 0.00 C ATOM 716 CG HIS A 49 1.640 -12.247 -2.880 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.651 -11.666 -3.644 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.969 -13.401 -3.506 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.392 -12.436 -4.686 1.00 0.00 C ATOM 720 NE2 HIS A 49 1.179 -13.496 -4.626 1.00 0.00 N ATOM 0 H HIS A 49 2.577 -10.034 0.245 1.00 0.00 H new ATOM 0 HA HIS A 49 0.355 -10.574 -1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.778 -10.763 -1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.829 -12.344 -1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.714 -14.114 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.338 -12.234 -5.456 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.197 -14.260 -5.301 1.00 0.00 H new ATOM 729 N ALA A 50 0.846 -12.958 1.010 1.00 0.00 N ATOM 730 CA ALA A 50 0.243 -14.131 1.630 1.00 0.00 C ATOM 731 C ALA A 50 -1.104 -13.790 2.257 1.00 0.00 C ATOM 732 O ALA A 50 -2.119 -14.416 1.950 1.00 0.00 O ATOM 733 CB ALA A 50 1.181 -14.716 2.675 1.00 0.00 C ATOM 0 H ALA A 50 1.664 -12.595 1.500 1.00 0.00 H new ATOM 0 HA ALA A 50 0.073 -14.876 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.718 -15.592 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.118 -15.007 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.380 -13.970 3.444 1.00 0.00 H new ATOM 739 N SER A 51 -1.107 -12.793 3.136 1.00 0.00 N ATOM 740 CA SER A 51 -2.329 -12.372 3.810 1.00 0.00 C ATOM 741 C SER A 51 -3.537 -12.527 2.891 1.00 0.00 C ATOM 742 O SER A 51 -3.447 -12.296 1.685 1.00 0.00 O ATOM 743 CB SER A 51 -2.208 -10.917 4.270 1.00 0.00 C ATOM 744 OG SER A 51 -2.363 -10.024 3.181 1.00 0.00 O ATOM 0 H SER A 51 -0.277 -12.262 3.398 1.00 0.00 H new ATOM 0 HA SER A 51 -2.472 -13.011 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.964 -10.707 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.236 -10.760 4.738 1.00 0.00 H new ATOM 0 HG SER A 51 -1.706 -10.238 2.486 1.00 0.00 H new ATOM 750 N ARG A 52 -4.667 -12.920 3.471 1.00 0.00 N ATOM 751 CA ARG A 52 -5.893 -13.108 2.705 1.00 0.00 C ATOM 752 C ARG A 52 -6.878 -11.973 2.968 1.00 0.00 C ATOM 753 O ARG A 52 -8.064 -12.081 2.655 1.00 0.00 O ATOM 754 CB ARG A 52 -6.539 -14.450 3.058 1.00 0.00 C ATOM 755 CG ARG A 52 -7.618 -14.882 2.078 1.00 0.00 C ATOM 756 CD ARG A 52 -7.783 -16.394 2.063 1.00 0.00 C ATOM 757 NE ARG A 52 -9.146 -16.792 1.723 1.00 0.00 N ATOM 758 CZ ARG A 52 -9.460 -17.977 1.212 1.00 0.00 C ATOM 759 NH1 ARG A 52 -8.513 -18.876 0.985 1.00 0.00 N ATOM 760 NH2 ARG A 52 -10.724 -18.265 0.928 1.00 0.00 N ATOM 0 H ARG A 52 -4.758 -13.114 4.468 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.634 -13.104 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.766 -15.217 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.972 -14.384 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.565 -14.414 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.363 -14.533 1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.089 -16.827 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.521 -16.797 3.041 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.898 -16.123 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.541 -18.658 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.757 -19.785 0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.456 -17.576 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.964 -19.175 0.536 1.00 0.00 H new ATOM 774 N HIS A 53 -6.378 -10.885 3.546 1.00 0.00 N ATOM 775 CA HIS A 53 -7.214 -9.729 3.852 1.00 0.00 C ATOM 776 C HIS A 53 -8.165 -9.427 2.698 1.00 0.00 C ATOM 777 O HIS A 53 -7.774 -9.395 1.531 1.00 0.00 O ATOM 778 CB HIS A 53 -6.343 -8.507 4.144 1.00 0.00 C ATOM 779 CG HIS A 53 -6.997 -7.509 5.050 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.052 -6.713 4.656 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.740 -7.181 6.338 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.415 -5.938 5.663 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.635 -6.202 6.695 1.00 0.00 N ATOM 0 H HIS A 53 -5.399 -10.780 3.812 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.807 -9.963 4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.407 -8.837 4.595 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.088 -8.019 3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.974 -7.609 6.968 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.214 -5.212 5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.688 -5.752 7.609 1.00 0.00 H new ATOM 792 N PRO A 54 -9.445 -9.200 3.029 1.00 0.00 N ATOM 793 CA PRO A 54 -10.478 -8.896 2.035 1.00 0.00 C ATOM 794 C PRO A 54 -10.293 -7.518 1.409 1.00 0.00 C ATOM 795 O PRO A 54 -10.273 -7.378 0.186 1.00 0.00 O ATOM 796 CB PRO A 54 -11.776 -8.946 2.845 1.00 0.00 C ATOM 797 CG PRO A 54 -11.361 -8.644 4.244 1.00 0.00 C ATOM 798 CD PRO A 54 -9.982 -9.221 4.401 1.00 0.00 C ATOM 0 HA PRO A 54 -10.455 -9.593 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.499 -8.216 2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.249 -9.926 2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.357 -7.569 4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.053 -9.087 4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.372 -8.625 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.013 -10.233 4.805 1.00 0.00 H new ATOM 806 N ARG A 55 -10.158 -6.502 2.256 1.00 0.00 N ATOM 807 CA ARG A 55 -9.976 -5.134 1.785 1.00 0.00 C ATOM 808 C ARG A 55 -8.558 -4.924 1.263 1.00 0.00 C ATOM 809 O ARG A 55 -8.352 -4.693 0.071 1.00 0.00 O ATOM 810 CB ARG A 55 -10.269 -4.141 2.911 1.00 0.00 C ATOM 811 CG ARG A 55 -11.752 -3.880 3.123 1.00 0.00 C ATOM 812 CD ARG A 55 -11.988 -2.558 3.836 1.00 0.00 C ATOM 813 NE ARG A 55 -11.810 -2.677 5.281 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.645 -2.501 5.895 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.561 -2.200 5.193 1.00 0.00 N ATOM 816 NH2 ARG A 55 -10.563 -2.626 7.213 1.00 0.00 N ATOM 0 H ARG A 55 -10.171 -6.601 3.271 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.675 -4.961 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.839 -4.519 3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.771 -3.197 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.262 -3.872 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.186 -4.692 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.300 -1.808 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.997 -2.206 3.623 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.625 -2.908 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.620 -2.103 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.668 -2.065 5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.395 -2.857 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.668 -2.491 7.683 1.00 0.00 H new ATOM 830 N ILE A 56 -7.584 -5.003 2.163 1.00 0.00 N ATOM 831 CA ILE A 56 -6.186 -4.822 1.793 1.00 0.00 C ATOM 832 C ILE A 56 -5.681 -5.995 0.960 1.00 0.00 C ATOM 833 O ILE A 56 -5.200 -6.992 1.500 1.00 0.00 O ATOM 834 CB ILE A 56 -5.290 -4.667 3.037 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.744 -3.469 3.873 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.834 -4.510 2.624 1.00 0.00 C ATOM 837 CD1 ILE A 56 -4.982 -3.314 5.171 1.00 0.00 C ATOM 0 H ILE A 56 -7.737 -5.191 3.154 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.132 -3.909 1.200 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.380 -5.566 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.629 -2.560 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.806 -3.573 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.213 -4.402 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.517 -5.391 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.727 -3.625 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.357 -2.445 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.117 -4.207 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.922 -3.178 4.957 1.00 0.00 H new ATOM 849 N SER A 57 -5.792 -5.868 -0.358 1.00 0.00 N ATOM 850 CA SER A 57 -5.348 -6.919 -1.267 1.00 0.00 C ATOM 851 C SER A 57 -4.029 -6.540 -1.933 1.00 0.00 C ATOM 852 O SER A 57 -3.923 -5.499 -2.581 1.00 0.00 O ATOM 853 CB SER A 57 -6.413 -7.183 -2.333 1.00 0.00 C ATOM 854 OG SER A 57 -6.820 -5.978 -2.957 1.00 0.00 O ATOM 0 H SER A 57 -6.185 -5.048 -0.821 1.00 0.00 H new ATOM 0 HA SER A 57 -5.193 -7.827 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.019 -7.869 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.275 -7.669 -1.877 1.00 0.00 H new ATOM 0 HG SER A 57 -7.500 -6.174 -3.635 1.00 0.00 H new ATOM 860 N VAL A 58 -3.023 -7.394 -1.768 1.00 0.00 N ATOM 861 CA VAL A 58 -1.710 -7.151 -2.354 1.00 0.00 C ATOM 862 C VAL A 58 -1.613 -7.750 -3.752 1.00 0.00 C ATOM 863 O VAL A 58 -1.348 -8.942 -3.912 1.00 0.00 O ATOM 864 CB VAL A 58 -0.588 -7.737 -1.477 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.775 -7.443 -2.086 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.677 -7.189 -0.060 1.00 0.00 C ATOM 0 H VAL A 58 -3.093 -8.260 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.586 -6.070 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.714 -8.819 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.555 -7.865 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.834 -7.889 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.914 -6.365 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.124 -7.614 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.578 -6.104 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.641 -7.456 0.374 1.00 0.00 H new ATOM 876 N LEU A 59 -1.827 -6.915 -4.763 1.00 0.00 N ATOM 877 CA LEU A 59 -1.762 -7.361 -6.151 1.00 0.00 C ATOM 878 C LEU A 59 -0.394 -7.955 -6.469 1.00 0.00 C ATOM 879 O LEU A 59 0.602 -7.620 -5.829 1.00 0.00 O ATOM 880 CB LEU A 59 -2.057 -6.195 -7.096 1.00 0.00 C ATOM 881 CG LEU A 59 -3.480 -5.636 -7.050 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.738 -4.941 -5.722 1.00 0.00 C ATOM 883 CD2 LEU A 59 -3.716 -4.680 -8.210 1.00 0.00 C ATOM 0 H LEU A 59 -2.047 -5.926 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.515 -8.136 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.363 -5.386 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.848 -6.518 -8.116 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.179 -6.467 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.755 -4.550 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.612 -5.654 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.032 -4.120 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.734 -4.292 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.009 -3.853 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.575 -5.209 -9.152 1.00 0.00 H new ATOM 895 N ASN A 60 -0.354 -8.836 -7.463 1.00 0.00 N ATOM 896 CA ASN A 60 0.893 -9.476 -7.867 1.00 0.00 C ATOM 897 C ASN A 60 1.990 -8.439 -8.087 1.00 0.00 C ATOM 898 O ASN A 60 3.053 -8.503 -7.469 1.00 0.00 O ATOM 899 CB ASN A 60 0.682 -10.290 -9.145 1.00 0.00 C ATOM 900 CG ASN A 60 -0.459 -11.281 -9.017 1.00 0.00 C ATOM 901 OD1 ASN A 60 -1.615 -10.953 -9.286 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.138 -12.502 -8.604 1.00 0.00 N ATOM 0 H ASN A 60 -1.170 -9.123 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 60 1.205 -10.145 -7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.480 -9.613 -9.975 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.600 -10.826 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.863 -13.212 -8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.833 -12.730 -8.392 1.00 0.00 H new ATOM 909 N ASP A 61 1.724 -7.483 -8.971 1.00 0.00 N ATOM 910 CA ASP A 61 2.687 -6.430 -9.272 1.00 0.00 C ATOM 911 C ASP A 61 3.271 -5.845 -7.990 1.00 0.00 C ATOM 912 O ASP A 61 4.440 -5.465 -7.945 1.00 0.00 O ATOM 913 CB ASP A 61 2.026 -5.325 -10.096 1.00 0.00 C ATOM 914 CG ASP A 61 1.037 -4.511 -9.285 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.229 -5.118 -8.552 1.00 0.00 O ATOM 916 OD2 ASP A 61 1.070 -3.266 -9.384 1.00 0.00 O ATOM 0 H ASP A 61 0.849 -7.416 -9.492 1.00 0.00 H new ATOM 0 HA ASP A 61 3.498 -6.869 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.795 -4.664 -10.495 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.513 -5.769 -10.949 1.00 0.00 H new ATOM 921 N GLY A 62 2.448 -5.777 -6.947 1.00 0.00 N ATOM 922 CA GLY A 62 2.901 -5.236 -5.679 1.00 0.00 C ATOM 923 C GLY A 62 2.137 -3.991 -5.274 1.00 0.00 C ATOM 924 O GLY A 62 2.710 -3.056 -4.713 1.00 0.00 O ATOM 0 H GLY A 62 1.476 -6.087 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.791 -5.994 -4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.963 -5.001 -5.746 1.00 0.00 H new ATOM 928 N THR A 63 0.839 -3.975 -5.560 1.00 0.00 N ATOM 929 CA THR A 63 -0.004 -2.835 -5.225 1.00 0.00 C ATOM 930 C THR A 63 -0.946 -3.167 -4.074 1.00 0.00 C ATOM 931 O THR A 63 -1.329 -4.322 -3.885 1.00 0.00 O ATOM 932 CB THR A 63 -0.835 -2.375 -6.438 1.00 0.00 C ATOM 933 OG1 THR A 63 0.032 -1.917 -7.481 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.795 -1.262 -6.045 1.00 0.00 C ATOM 0 H THR A 63 0.349 -4.740 -6.023 1.00 0.00 H new ATOM 0 HA THR A 63 0.663 -2.027 -4.923 1.00 0.00 H new ATOM 0 HB THR A 63 -1.416 -3.225 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.034 -2.521 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.371 -0.953 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.473 -1.623 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.230 -0.411 -5.664 1.00 0.00 H new ATOM 942 N LEU A 64 -1.318 -2.148 -3.307 1.00 0.00 N ATOM 943 CA LEU A 64 -2.217 -2.332 -2.173 1.00 0.00 C ATOM 944 C LEU A 64 -3.589 -1.732 -2.464 1.00 0.00 C ATOM 945 O LEU A 64 -3.789 -0.525 -2.337 1.00 0.00 O ATOM 946 CB LEU A 64 -1.624 -1.692 -0.917 1.00 0.00 C ATOM 947 CG LEU A 64 -2.093 -2.273 0.418 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.629 -3.714 0.565 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.585 -1.426 1.576 1.00 0.00 C ATOM 0 H LEU A 64 -1.011 -1.186 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.336 -3.402 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.539 -1.779 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.859 -0.628 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.183 -2.260 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.972 -4.111 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.042 -4.314 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.540 -3.751 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.928 -1.854 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.495 -1.407 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.967 -0.410 1.479 1.00 0.00 H new ATOM 961 N ASN A 65 -4.532 -2.585 -2.852 1.00 0.00 N ATOM 962 CA ASN A 65 -5.886 -2.139 -3.159 1.00 0.00 C ATOM 963 C ASN A 65 -6.783 -2.235 -1.928 1.00 0.00 C ATOM 964 O ASN A 65 -6.615 -3.123 -1.092 1.00 0.00 O ATOM 965 CB ASN A 65 -6.475 -2.973 -4.298 1.00 0.00 C ATOM 966 CG ASN A 65 -7.879 -2.538 -4.668 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.832 -2.781 -3.927 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.014 -1.891 -5.820 1.00 0.00 N ATOM 0 H ASN A 65 -4.383 -3.588 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.835 -1.096 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.831 -2.893 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.488 -4.023 -4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.935 -1.574 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.196 -1.711 -6.403 1.00 0.00 H new ATOM 975 N PHE A 66 -7.735 -1.314 -1.823 1.00 0.00 N ATOM 976 CA PHE A 66 -8.658 -1.294 -0.695 1.00 0.00 C ATOM 977 C PHE A 66 -10.106 -1.283 -1.176 1.00 0.00 C ATOM 978 O PHE A 66 -10.582 -0.288 -1.724 1.00 0.00 O ATOM 979 CB PHE A 66 -8.393 -0.072 0.187 1.00 0.00 C ATOM 980 CG PHE A 66 -7.090 -0.141 0.931 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.886 -0.161 0.246 1.00 0.00 C ATOM 982 CD2 PHE A 66 -7.069 -0.186 2.316 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.685 -0.224 0.927 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.871 -0.249 3.002 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.678 -0.269 2.307 1.00 0.00 C ATOM 0 H PHE A 66 -7.887 -0.572 -2.506 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.495 -2.199 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.400 0.823 -0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.207 0.032 0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.886 -0.127 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.999 -0.172 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.753 -0.238 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.868 -0.283 4.081 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.741 -0.320 2.842 1.00 0.00 H new ATOM 995 N SER A 67 -10.801 -2.396 -0.968 1.00 0.00 N ATOM 996 CA SER A 67 -12.194 -2.517 -1.384 1.00 0.00 C ATOM 997 C SER A 67 -13.019 -1.341 -0.870 1.00 0.00 C ATOM 998 O SER A 67 -13.810 -0.754 -1.608 1.00 0.00 O ATOM 999 CB SER A 67 -12.788 -3.832 -0.876 1.00 0.00 C ATOM 1000 OG SER A 67 -13.889 -4.236 -1.672 1.00 0.00 O ATOM 0 H SER A 67 -10.423 -3.227 -0.514 1.00 0.00 H new ATOM 0 HA SER A 67 -12.224 -2.510 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.023 -4.608 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.108 -3.714 0.159 1.00 0.00 H new ATOM 0 HG SER A 67 -14.250 -5.080 -1.328 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.828 -1.004 0.401 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.553 0.103 1.016 1.00 0.00 C ATOM 1008 C HIS A 68 -12.828 0.603 2.261 1.00 0.00 C ATOM 1009 O HIS A 68 -12.815 -0.065 3.295 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.974 -0.330 1.378 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.024 -1.434 2.389 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.264 -1.405 3.721 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.811 -2.758 2.069 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.193 -2.699 4.176 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.919 -3.496 3.159 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.178 -1.481 1.025 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.602 0.919 0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.520 0.531 1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.488 -0.654 0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.590 -3.133 1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.338 -3.014 5.199 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.809 -4.509 3.207 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.224 1.782 2.155 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.497 2.372 3.272 1.00 0.00 C ATOM 1026 C VAL A 69 -12.439 3.123 4.206 1.00 0.00 C ATOM 1027 O VAL A 69 -13.332 3.844 3.757 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.401 3.337 2.782 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.441 2.622 1.843 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.022 4.547 2.102 1.00 0.00 C ATOM 0 H VAL A 69 -12.224 2.348 1.306 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.031 1.550 3.815 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.835 3.685 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.674 3.319 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.971 1.790 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.990 2.243 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.233 5.218 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.614 4.220 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.665 5.071 2.809 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.235 2.951 5.507 1.00 0.00 N ATOM 1041 CA LEU A 70 -13.066 3.613 6.507 1.00 0.00 C ATOM 1042 C LEU A 70 -12.281 4.699 7.236 1.00 0.00 C ATOM 1043 O LEU A 70 -11.066 4.817 7.072 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.601 2.592 7.512 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.987 1.227 6.941 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -14.919 1.390 5.751 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -12.744 0.444 6.544 1.00 0.00 C ATOM 0 H LEU A 70 -11.501 2.358 5.895 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.905 4.081 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.845 2.441 8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.476 3.019 8.003 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.513 0.667 7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -15.183 0.408 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.824 1.910 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.420 1.969 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.038 -0.525 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.190 1.000 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.113 0.295 7.420 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.981 5.488 8.042 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.350 6.563 8.800 1.00 0.00 C ATOM 1061 C LEU A 71 -11.258 6.016 9.714 1.00 0.00 C ATOM 1062 O LEU A 71 -10.291 6.710 10.026 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.395 7.314 9.626 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.531 7.967 8.838 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.666 8.365 9.769 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -14.020 9.177 8.070 1.00 0.00 C ATOM 0 H LEU A 71 -13.987 5.404 8.188 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.893 7.254 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.830 6.618 10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.887 8.088 10.201 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.914 7.241 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.466 8.828 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -16.050 7.479 10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.297 9.074 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.842 9.629 7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.610 9.906 8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.241 8.864 7.374 1.00 0.00 H new ATOM 1078 N SER A 72 -11.420 4.767 10.139 1.00 0.00 N ATOM 1079 CA SER A 72 -10.449 4.127 11.019 1.00 0.00 C ATOM 1080 C SER A 72 -9.191 3.739 10.249 1.00 0.00 C ATOM 1081 O SER A 72 -8.084 3.776 10.787 1.00 0.00 O ATOM 1082 CB SER A 72 -11.062 2.888 11.674 1.00 0.00 C ATOM 1083 OG SER A 72 -11.448 1.934 10.700 1.00 0.00 O ATOM 0 H SER A 72 -12.214 4.178 9.888 1.00 0.00 H new ATOM 0 HA SER A 72 -10.173 4.841 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.342 2.441 12.360 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.929 3.178 12.267 1.00 0.00 H new ATOM 0 HG SER A 72 -11.835 1.151 11.144 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.368 3.368 8.986 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.248 2.974 8.140 1.00 0.00 C ATOM 1091 C ASP A 73 -7.289 4.141 7.930 1.00 0.00 C ATOM 1092 O ASP A 73 -6.124 3.947 7.581 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.755 2.465 6.789 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.341 1.070 6.879 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.194 0.431 7.943 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.948 0.617 5.887 1.00 0.00 O ATOM 0 H ASP A 73 -10.277 3.332 8.525 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.710 2.171 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.512 3.150 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.934 2.465 6.072 1.00 0.00 H new ATOM 1101 N THR A 74 -7.786 5.356 8.143 1.00 0.00 N ATOM 1102 CA THR A 74 -6.975 6.555 7.975 1.00 0.00 C ATOM 1103 C THR A 74 -5.696 6.473 8.801 1.00 0.00 C ATOM 1104 O THR A 74 -5.738 6.227 10.006 1.00 0.00 O ATOM 1105 CB THR A 74 -7.754 7.821 8.379 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.882 7.998 7.515 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.860 9.050 8.313 1.00 0.00 C ATOM 0 H THR A 74 -8.748 5.535 8.433 1.00 0.00 H new ATOM 0 HA THR A 74 -6.718 6.618 6.918 1.00 0.00 H new ATOM 0 HB THR A 74 -8.099 7.697 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.373 8.804 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.432 9.932 8.602 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.018 8.924 8.993 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.489 9.176 7.296 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.559 6.683 8.145 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.284 6.629 8.835 1.00 0.00 C ATOM 1117 C GLY A 75 -2.106 6.649 7.881 1.00 0.00 C ATOM 1118 O GLY A 75 -2.135 7.339 6.862 1.00 0.00 O ATOM 0 H GLY A 75 -4.498 6.890 7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.208 7.475 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.241 5.724 9.442 1.00 0.00 H new ATOM 1122 N VAL A 76 -1.066 5.890 8.211 1.00 0.00 N ATOM 1123 CA VAL A 76 0.127 5.824 7.376 1.00 0.00 C ATOM 1124 C VAL A 76 0.517 4.378 7.088 1.00 0.00 C ATOM 1125 O VAL A 76 0.570 3.546 7.995 1.00 0.00 O ATOM 1126 CB VAL A 76 1.318 6.542 8.038 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.590 6.322 7.235 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.024 8.027 8.192 1.00 0.00 C ATOM 0 H VAL A 76 -1.026 5.312 9.051 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.115 6.326 6.440 1.00 0.00 H new ATOM 0 HB VAL A 76 1.468 6.119 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.420 6.837 7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.807 5.255 7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.457 6.716 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.875 8.520 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.846 8.466 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.139 8.160 8.815 1.00 0.00 H new ATOM 1138 N TYR A 77 0.790 4.085 5.822 1.00 0.00 N ATOM 1139 CA TYR A 77 1.173 2.739 5.414 1.00 0.00 C ATOM 1140 C TYR A 77 2.609 2.714 4.899 1.00 0.00 C ATOM 1141 O TYR A 77 3.049 3.631 4.204 1.00 0.00 O ATOM 1142 CB TYR A 77 0.223 2.221 4.333 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.215 2.115 4.791 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.966 3.254 5.055 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.822 0.877 4.958 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.279 3.162 5.474 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.135 0.775 5.375 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.859 1.921 5.632 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.167 1.825 6.048 1.00 0.00 O ATOM 0 H TYR A 77 0.753 4.762 5.060 1.00 0.00 H new ATOM 0 HA TYR A 77 1.108 2.090 6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.273 2.884 3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.563 1.240 4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.515 4.228 4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.258 -0.022 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.848 4.057 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.592 -0.196 5.499 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.396 2.609 6.590 1.00 0.00 H new ATOM 1159 N THR A 78 3.336 1.656 5.243 1.00 0.00 N ATOM 1160 CA THR A 78 4.722 1.509 4.817 1.00 0.00 C ATOM 1161 C THR A 78 4.912 0.242 3.991 1.00 0.00 C ATOM 1162 O THR A 78 4.567 -0.855 4.431 1.00 0.00 O ATOM 1163 CB THR A 78 5.679 1.471 6.023 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.349 2.516 6.945 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.124 1.623 5.573 1.00 0.00 C ATOM 0 H THR A 78 2.988 0.888 5.816 1.00 0.00 H new ATOM 0 HA THR A 78 4.958 2.378 4.203 1.00 0.00 H new ATOM 0 HB THR A 78 5.568 0.505 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.961 2.483 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.781 1.593 6.442 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.382 0.809 4.895 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.246 2.576 5.058 1.00 0.00 H new ATOM 1173 N CYS A 79 5.464 0.400 2.793 1.00 0.00 N ATOM 1174 CA CYS A 79 5.700 -0.732 1.905 1.00 0.00 C ATOM 1175 C CYS A 79 7.139 -1.225 2.022 1.00 0.00 C ATOM 1176 O CYS A 79 8.084 -0.447 1.891 1.00 0.00 O ATOM 1177 CB CYS A 79 5.398 -0.343 0.457 1.00 0.00 C ATOM 1178 SG CYS A 79 5.379 -1.738 -0.693 1.00 0.00 S ATOM 0 H CYS A 79 5.756 1.301 2.415 1.00 0.00 H new ATOM 0 HA CYS A 79 5.033 -1.541 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.430 0.157 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.143 0.379 0.123 1.00 0.00 H new ATOM 0 HG CYS A 79 4.153 -2.000 -1.038 1.00 0.00 H new ATOM 1184 N MET A 80 7.297 -2.520 2.273 1.00 0.00 N ATOM 1185 CA MET A 80 8.621 -3.116 2.409 1.00 0.00 C ATOM 1186 C MET A 80 9.016 -3.860 1.137 1.00 0.00 C ATOM 1187 O MET A 80 8.178 -4.486 0.487 1.00 0.00 O ATOM 1188 CB MET A 80 8.654 -4.071 3.604 1.00 0.00 C ATOM 1189 CG MET A 80 7.970 -3.517 4.843 1.00 0.00 C ATOM 1190 SD MET A 80 7.993 -4.675 6.225 1.00 0.00 S ATOM 1191 CE MET A 80 6.412 -4.321 6.989 1.00 0.00 C ATOM 0 H MET A 80 6.525 -3.177 2.386 1.00 0.00 H new ATOM 0 HA MET A 80 9.338 -2.312 2.576 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.175 -5.009 3.323 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.691 -4.303 3.845 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.462 -2.591 5.142 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.937 -3.266 4.602 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.215 -5.052 7.773 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.433 -3.321 7.423 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.625 -4.374 6.237 1.00 0.00 H new ATOM 1201 N VAL A 81 10.296 -3.789 0.788 1.00 0.00 N ATOM 1202 CA VAL A 81 10.802 -4.457 -0.406 1.00 0.00 C ATOM 1203 C VAL A 81 12.155 -5.106 -0.141 1.00 0.00 C ATOM 1204 O VAL A 81 13.159 -4.420 0.052 1.00 0.00 O ATOM 1205 CB VAL A 81 10.938 -3.474 -1.584 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.239 -4.223 -2.873 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.677 -2.636 -1.727 1.00 0.00 C ATOM 0 H VAL A 81 11.002 -3.276 1.315 1.00 0.00 H new ATOM 0 HA VAL A 81 10.078 -5.228 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 81 11.772 -2.802 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.332 -3.512 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.173 -4.775 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.429 -4.920 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.791 -1.947 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.824 -3.290 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.511 -2.069 -0.811 1.00 0.00 H new ATOM 1217 N THR A 82 12.176 -6.436 -0.132 1.00 0.00 N ATOM 1218 CA THR A 82 13.406 -7.179 0.110 1.00 0.00 C ATOM 1219 C THR A 82 13.721 -8.113 -1.053 1.00 0.00 C ATOM 1220 O THR A 82 12.904 -8.954 -1.425 1.00 0.00 O ATOM 1221 CB THR A 82 13.317 -8.004 1.407 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.779 -7.200 2.463 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.688 -8.528 1.810 1.00 0.00 C ATOM 0 H THR A 82 11.355 -7.020 -0.290 1.00 0.00 H new ATOM 0 HA THR A 82 14.205 -6.445 0.210 1.00 0.00 H new ATOM 0 HB THR A 82 12.659 -8.854 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.283 -6.362 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.600 -9.108 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.082 -9.163 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.364 -7.689 1.973 1.00 0.00 H new ATOM 1231 N ASN A 83 14.913 -7.961 -1.622 1.00 0.00 N ATOM 1232 CA ASN A 83 15.336 -8.793 -2.743 1.00 0.00 C ATOM 1233 C ASN A 83 16.809 -9.170 -2.614 1.00 0.00 C ATOM 1234 O ASN A 83 17.518 -8.663 -1.745 1.00 0.00 O ATOM 1235 CB ASN A 83 15.099 -8.061 -4.065 1.00 0.00 C ATOM 1236 CG ASN A 83 14.900 -9.016 -5.226 1.00 0.00 C ATOM 1237 OD1 ASN A 83 14.820 -10.230 -5.039 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.818 -8.470 -6.434 1.00 0.00 N ATOM 0 H ASN A 83 15.602 -7.270 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 83 14.743 -9.707 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.222 -7.420 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.948 -7.410 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.683 -9.062 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.890 -7.458 -6.542 1.00 0.00 H new ATOM 1245 N VAL A 84 17.264 -10.064 -3.487 1.00 0.00 N ATOM 1246 CA VAL A 84 18.652 -10.509 -3.473 1.00 0.00 C ATOM 1247 C VAL A 84 19.590 -9.396 -3.926 1.00 0.00 C ATOM 1248 O VAL A 84 20.711 -9.274 -3.432 1.00 0.00 O ATOM 1249 CB VAL A 84 18.857 -11.738 -4.377 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.478 -11.413 -5.814 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.295 -12.226 -4.295 1.00 0.00 C ATOM 0 H VAL A 84 16.691 -10.494 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 84 18.886 -10.782 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 84 18.205 -12.538 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.629 -12.294 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.430 -11.115 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.102 -10.598 -6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.422 -13.095 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.968 -11.432 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.528 -12.501 -3.266 1.00 0.00 H new ATOM 1261 N ALA A 85 19.124 -8.584 -4.870 1.00 0.00 N ATOM 1262 CA ALA A 85 19.920 -7.479 -5.389 1.00 0.00 C ATOM 1263 C ALA A 85 20.080 -6.380 -4.344 1.00 0.00 C ATOM 1264 O ALA A 85 21.182 -5.884 -4.114 1.00 0.00 O ATOM 1265 CB ALA A 85 19.286 -6.919 -6.653 1.00 0.00 C ATOM 0 H ALA A 85 18.199 -8.671 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 85 20.911 -7.861 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 85 19.891 -6.094 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.229 -7.702 -7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.282 -6.559 -6.428 1.00 0.00 H new ATOM 1271 N GLY A 86 18.972 -6.003 -3.713 1.00 0.00 N ATOM 1272 CA GLY A 86 19.011 -4.964 -2.701 1.00 0.00 C ATOM 1273 C GLY A 86 17.705 -4.846 -1.940 1.00 0.00 C ATOM 1274 O GLY A 86 16.766 -5.600 -2.187 1.00 0.00 O ATOM 0 H GLY A 86 18.048 -6.399 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.819 -5.174 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.240 -4.009 -3.174 1.00 0.00 H new ATOM 1278 N ASN A 87 17.647 -3.897 -1.011 1.00 0.00 N ATOM 1279 CA ASN A 87 16.447 -3.685 -0.209 1.00 0.00 C ATOM 1280 C ASN A 87 15.973 -2.239 -0.313 1.00 0.00 C ATOM 1281 O ASN A 87 16.758 -1.336 -0.604 1.00 0.00 O ATOM 1282 CB ASN A 87 16.717 -4.041 1.254 1.00 0.00 C ATOM 1283 CG ASN A 87 15.476 -3.917 2.117 1.00 0.00 C ATOM 1284 OD1 ASN A 87 14.658 -4.835 2.184 1.00 0.00 O ATOM 1285 ND2 ASN A 87 15.331 -2.778 2.783 1.00 0.00 N ATOM 0 H ASN A 87 18.416 -3.263 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 87 15.662 -4.335 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.097 -5.061 1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.496 -3.387 1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.516 -2.637 3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.034 -2.044 2.698 1.00 0.00 H new ATOM 1292 N SER A 88 14.683 -2.026 -0.073 1.00 0.00 N ATOM 1293 CA SER A 88 14.102 -0.691 -0.143 1.00 0.00 C ATOM 1294 C SER A 88 12.759 -0.644 0.579 1.00 0.00 C ATOM 1295 O SER A 88 12.161 -1.679 0.868 1.00 0.00 O ATOM 1296 CB SER A 88 13.926 -0.264 -1.601 1.00 0.00 C ATOM 1297 OG SER A 88 13.219 -1.246 -2.338 1.00 0.00 O ATOM 0 H SER A 88 14.020 -2.762 0.172 1.00 0.00 H new ATOM 0 HA SER A 88 14.784 0.001 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.389 0.684 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.903 -0.097 -2.055 1.00 0.00 H new ATOM 0 HG SER A 88 13.831 -1.968 -2.592 1.00 0.00 H new ATOM 1303 N ASN A 89 12.291 0.566 0.867 1.00 0.00 N ATOM 1304 CA ASN A 89 11.018 0.750 1.556 1.00 0.00 C ATOM 1305 C ASN A 89 10.379 2.080 1.171 1.00 0.00 C ATOM 1306 O ASN A 89 11.033 2.954 0.604 1.00 0.00 O ATOM 1307 CB ASN A 89 11.221 0.687 3.071 1.00 0.00 C ATOM 1308 CG ASN A 89 12.155 1.770 3.574 1.00 0.00 C ATOM 1309 OD1 ASN A 89 13.336 1.522 3.819 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.629 2.979 3.732 1.00 0.00 N ATOM 0 H ASN A 89 12.774 1.434 0.634 1.00 0.00 H new ATOM 0 HA ASN A 89 10.349 -0.055 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.256 0.783 3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.623 -0.290 3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.209 3.747 4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.645 3.139 3.517 1.00 0.00 H new ATOM 1317 N ALA A 90 9.095 2.226 1.485 1.00 0.00 N ATOM 1318 CA ALA A 90 8.368 3.451 1.175 1.00 0.00 C ATOM 1319 C ALA A 90 7.203 3.655 2.138 1.00 0.00 C ATOM 1320 O ALA A 90 6.800 2.732 2.845 1.00 0.00 O ATOM 1321 CB ALA A 90 7.868 3.419 -0.261 1.00 0.00 C ATOM 0 H ALA A 90 8.538 1.512 1.953 1.00 0.00 H new ATOM 0 HA ALA A 90 9.053 4.291 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.327 4.340 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.716 3.327 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.202 2.567 -0.395 1.00 0.00 H new ATOM 1327 N SER A 91 6.666 4.871 2.160 1.00 0.00 N ATOM 1328 CA SER A 91 5.550 5.198 3.040 1.00 0.00 C ATOM 1329 C SER A 91 4.530 6.076 2.320 1.00 0.00 C ATOM 1330 O SER A 91 4.841 6.707 1.311 1.00 0.00 O ATOM 1331 CB SER A 91 6.055 5.910 4.297 1.00 0.00 C ATOM 1332 OG SER A 91 7.052 5.143 4.951 1.00 0.00 O ATOM 0 H SER A 91 6.986 5.646 1.579 1.00 0.00 H new ATOM 0 HA SER A 91 5.063 4.267 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.460 6.886 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.223 6.087 4.978 1.00 0.00 H new ATOM 0 HG SER A 91 7.360 5.620 5.750 1.00 0.00 H new ATOM 1338 N ALA A 92 3.311 6.110 2.848 1.00 0.00 N ATOM 1339 CA ALA A 92 2.246 6.910 2.259 1.00 0.00 C ATOM 1340 C ALA A 92 1.077 7.067 3.226 1.00 0.00 C ATOM 1341 O ALA A 92 0.652 6.102 3.862 1.00 0.00 O ATOM 1342 CB ALA A 92 1.773 6.283 0.955 1.00 0.00 C ATOM 0 H ALA A 92 3.037 5.592 3.683 1.00 0.00 H new ATOM 0 HA ALA A 92 2.646 7.902 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.977 6.892 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.606 6.229 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.397 5.279 1.150 1.00 0.00 H new ATOM 1348 N TYR A 93 0.563 8.287 3.333 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.554 8.570 4.226 1.00 0.00 C ATOM 1350 C TYR A 93 -1.884 8.464 3.485 1.00 0.00 C ATOM 1351 O TYR A 93 -2.040 8.995 2.385 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.407 9.966 4.834 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.466 10.293 5.863 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.760 10.621 5.477 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.173 10.273 7.221 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.730 10.921 6.413 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -2.137 10.570 8.164 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.414 10.894 7.756 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.378 11.191 8.691 1.00 0.00 O ATOM 0 H TYR A 93 0.902 9.096 2.812 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.544 7.829 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.576 10.050 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.447 10.707 4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.011 10.642 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.174 10.021 7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.730 11.175 6.096 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.892 10.549 9.216 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.993 11.125 9.590 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.840 7.774 4.097 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.158 7.597 3.497 1.00 0.00 C ATOM 1371 C LEU A 94 -5.217 8.377 4.270 1.00 0.00 C ATOM 1372 O LEU A 94 -5.305 8.278 5.493 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.528 6.113 3.460 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.000 5.795 3.196 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.283 5.773 1.702 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.380 4.465 3.832 1.00 0.00 C ATOM 0 H LEU A 94 -2.728 7.328 5.008 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.121 7.982 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.928 5.629 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.245 5.665 4.412 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.608 6.579 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.336 5.545 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.050 6.748 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.666 5.011 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.431 4.254 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.765 3.671 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.217 4.517 4.908 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.020 9.151 3.547 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.075 9.946 4.165 1.00 0.00 C ATOM 1390 C ASN A 95 -8.452 9.392 3.813 1.00 0.00 C ATOM 1391 O ASN A 95 -8.793 9.246 2.639 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.970 11.406 3.716 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.096 12.261 4.265 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.757 11.889 5.235 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.320 13.413 3.644 1.00 0.00 N ATOM 0 H ASN A 95 -5.960 9.245 2.533 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.949 9.894 5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.014 11.816 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.981 11.450 2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.065 14.030 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.747 13.681 2.844 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.240 9.084 4.838 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.580 8.547 4.638 1.00 0.00 C ATOM 1404 C VAL A 96 -11.634 9.451 5.269 1.00 0.00 C ATOM 1405 O VAL A 96 -11.731 9.550 6.492 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.712 7.132 5.231 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.086 6.552 4.930 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.613 6.226 4.697 1.00 0.00 C ATOM 0 H VAL A 96 -8.973 9.197 5.816 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.744 8.498 3.562 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.602 7.199 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.160 5.552 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.854 7.191 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.229 6.497 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.722 5.230 5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.689 6.163 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.640 6.635 4.970 1.00 0.00 H new ATOM 1418 N SER A 97 -12.423 10.109 4.425 1.00 0.00 N ATOM 1419 CA SER A 97 -13.468 11.008 4.899 1.00 0.00 C ATOM 1420 C SER A 97 -14.824 10.308 4.908 1.00 0.00 C ATOM 1421 O SER A 97 -15.075 9.407 4.108 1.00 0.00 O ATOM 1422 CB SER A 97 -13.533 12.258 4.020 1.00 0.00 C ATOM 1423 OG SER A 97 -14.274 13.288 4.651 1.00 0.00 O ATOM 0 H SER A 97 -12.358 10.036 3.410 1.00 0.00 H new ATOM 0 HA SER A 97 -13.223 11.303 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.523 12.610 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.992 12.010 3.063 1.00 0.00 H new ATOM 0 HG SER A 97 -14.299 14.076 4.069 1.00 0.00 H new ATOM 1429 N SER A 98 -15.694 10.729 5.821 1.00 0.00 N ATOM 1430 CA SER A 98 -17.023 10.141 5.938 1.00 0.00 C ATOM 1431 C SER A 98 -18.018 10.861 5.032 1.00 0.00 C ATOM 1432 O SER A 98 -17.995 12.085 4.916 1.00 0.00 O ATOM 1433 CB SER A 98 -17.503 10.198 7.389 1.00 0.00 C ATOM 1434 OG SER A 98 -18.421 9.154 7.665 1.00 0.00 O ATOM 0 H SER A 98 -15.502 11.475 6.490 1.00 0.00 H new ATOM 0 HA SER A 98 -16.961 9.099 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.648 10.122 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.975 11.162 7.581 1.00 0.00 H new ATOM 0 HG SER A 98 -18.711 9.212 8.599 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.891 10.090 4.392 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.882 10.670 3.505 1.00 0.00 C ATOM 1442 C GLY A 99 -21.091 11.199 4.252 1.00 0.00 C ATOM 1443 O GLY A 99 -21.276 10.937 5.441 1.00 0.00 O ATOM 0 H GLY A 99 -18.930 9.074 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.426 11.481 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.204 9.918 2.784 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.938 11.964 3.548 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.149 12.548 4.133 1.00 0.00 C ATOM 1449 C PRO A 100 -24.206 11.496 4.448 1.00 0.00 C ATOM 1450 O PRO A 100 -24.915 11.029 3.557 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.648 13.497 3.040 1.00 0.00 C ATOM 1452 CG PRO A 100 -23.105 12.935 1.772 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.780 12.318 2.127 1.00 0.00 C ATOM 0 HA PRO A 100 -22.946 13.040 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.737 13.539 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.293 14.514 3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.782 12.191 1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.984 13.715 1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.569 11.441 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.958 13.017 1.976 1.00 0.00 H new ATOM 1461 N SER A 101 -24.307 11.128 5.721 1.00 0.00 N ATOM 1462 CA SER A 101 -25.276 10.128 6.153 1.00 0.00 C ATOM 1463 C SER A 101 -26.698 10.570 5.822 1.00 0.00 C ATOM 1464 O SER A 101 -27.418 9.889 5.092 1.00 0.00 O ATOM 1465 CB SER A 101 -25.145 9.876 7.656 1.00 0.00 C ATOM 1466 OG SER A 101 -24.107 8.951 7.930 1.00 0.00 O ATOM 0 H SER A 101 -23.730 11.507 6.471 1.00 0.00 H new ATOM 0 HA SER A 101 -25.068 9.202 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.943 10.816 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 101 -26.088 9.495 8.048 1.00 0.00 H new ATOM 0 HG SER A 101 -24.043 8.809 8.897 1.00 0.00 H new ATOM 1472 N SER A 102 -27.096 11.717 6.365 1.00 0.00 N ATOM 1473 CA SER A 102 -28.433 12.250 6.131 1.00 0.00 C ATOM 1474 C SER A 102 -28.430 13.229 4.961 1.00 0.00 C ATOM 1475 O SER A 102 -29.174 13.063 3.995 1.00 0.00 O ATOM 1476 CB SER A 102 -28.955 12.944 7.390 1.00 0.00 C ATOM 1477 OG SER A 102 -30.364 13.094 7.343 1.00 0.00 O ATOM 0 H SER A 102 -26.512 12.294 6.970 1.00 0.00 H new ATOM 0 HA SER A 102 -29.092 11.417 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 102 -28.677 12.364 8.270 1.00 0.00 H new ATOM 0 HB3 SER A 102 -28.485 13.922 7.491 1.00 0.00 H new ATOM 0 HG SER A 102 -30.673 13.539 8.160 1.00 0.00 H new ATOM 1483 N GLY A 103 -27.586 14.253 5.056 1.00 0.00 N ATOM 1484 CA GLY A 103 -27.502 15.245 4.000 1.00 0.00 C ATOM 1485 C GLY A 103 -26.851 16.533 4.465 1.00 0.00 C ATOM 1486 O GLY A 103 -27.027 17.583 3.847 1.00 0.00 O ATOM 0 H GLY A 103 -26.960 14.413 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -26.934 14.835 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -28.504 15.461 3.628 1.00 0.00 H new TER 1490 GLY A 103