USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 934 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 65 ASN : amide:sc= -0.536 K(o=-0.21,f=-0.91) USER MOD Set 1.2: A 88 TYR OH : rot -129:sc= 0.326 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 144:sc= 1.13 (180deg=-0.0771) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.05 K(o=2.2,f=-11!) USER MOD Single : A 1 GLN : amide:sc= -2! C(o=-2!,f=-5.3!) USER MOD Single : A 1 GLN N :NH3+ -115:sc= 0.101 (180deg=-0.231!) USER MOD Single : A 3 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.34) USER MOD Single : A 14 THR OG1 : rot -22:sc= 0.411 USER MOD Single : A 15 GLN :FLIP amide:sc= -2.12! C(o=-7.8!,f=-2.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.563 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 23:sc= -1.84! USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= 0.271 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.75! C(o=-3.8!,f=-12!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.626 F(o=-1.3,f=-0.63) USER MOD Single : A 84 SER OG : rot 60:sc= -2.62! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 60:sc= -1.98! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 49:sc= 0.895 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -39:sc= 0.983 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0035 USER MOD Single : A 115 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.5!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.788 -5.645 -16.014 1.00 0.00 N ATOM 2 CA GLN A 1 23.349 -6.979 -16.406 1.00 0.00 C ATOM 3 C GLN A 1 21.814 -7.100 -16.354 1.00 0.00 C ATOM 4 O GLN A 1 21.155 -7.227 -17.384 1.00 0.00 O ATOM 5 CB GLN A 1 23.996 -7.893 -15.409 1.00 0.00 C ATOM 6 CG GLN A 1 25.495 -7.927 -15.578 1.00 0.00 C ATOM 7 CD GLN A 1 26.161 -8.647 -14.483 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.358 -9.861 -14.516 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.496 -7.871 -13.464 1.00 0.00 N ATOM 0 H1 GLN A 1 24.237 -5.175 -16.826 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.968 -5.087 -15.702 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.473 -5.720 -15.235 1.00 0.00 H new ATOM 0 HA GLN A 1 23.629 -7.219 -17.432 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.750 -7.563 -14.399 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.593 -8.900 -15.522 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.741 -8.404 -16.527 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.877 -6.907 -15.625 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.304 -6.870 -13.501 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.946 -8.274 -12.642 1.00 0.00 H new ATOM 18 N CYS A 2 21.272 -7.058 -15.138 1.00 0.00 N ATOM 19 CA CYS A 2 19.812 -7.122 -14.905 1.00 0.00 C ATOM 20 C CYS A 2 19.110 -5.842 -15.311 1.00 0.00 C ATOM 21 O CYS A 2 17.883 -5.840 -15.520 1.00 0.00 O ATOM 22 CB CYS A 2 19.426 -7.562 -13.463 1.00 0.00 C ATOM 23 SG CYS A 2 20.195 -9.147 -12.899 1.00 0.00 S ATOM 0 H CYS A 2 21.822 -6.979 -14.283 1.00 0.00 H new ATOM 0 HA CYS A 2 19.452 -7.914 -15.561 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.710 -6.771 -12.769 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.342 -7.661 -13.407 1.00 0.00 H new ATOM 28 N ASN A 3 19.886 -4.749 -15.402 1.00 0.00 N ATOM 29 CA ASN A 3 19.356 -3.451 -15.739 1.00 0.00 C ATOM 30 C ASN A 3 18.305 -3.018 -14.704 1.00 0.00 C ATOM 31 O ASN A 3 17.310 -2.371 -15.028 1.00 0.00 O ATOM 32 CB ASN A 3 18.769 -3.562 -17.152 1.00 0.00 C ATOM 33 CG ASN A 3 18.309 -2.272 -17.733 1.00 0.00 C ATOM 34 OD1 ASN A 3 19.099 -1.417 -18.132 1.00 0.00 O ATOM 35 ND2 ASN A 3 17.019 -2.119 -17.759 1.00 0.00 N ATOM 0 H ASN A 3 20.893 -4.758 -15.241 1.00 0.00 H new ATOM 0 HA ASN A 3 20.131 -2.685 -15.723 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.521 -3.995 -17.811 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.928 -4.256 -17.129 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.615 -1.256 -18.124 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.410 -2.862 -17.415 1.00 0.00 H new ATOM 42 N ALA A 4 18.613 -3.337 -13.422 1.00 0.00 N ATOM 43 CA ALA A 4 17.772 -2.999 -12.263 1.00 0.00 C ATOM 44 C ALA A 4 16.381 -3.615 -12.378 1.00 0.00 C ATOM 45 O ALA A 4 15.666 -3.385 -13.343 1.00 0.00 O ATOM 46 CB ALA A 4 17.720 -1.508 -12.071 1.00 0.00 C ATOM 0 H ALA A 4 19.463 -3.841 -13.169 1.00 0.00 H new ATOM 0 HA ALA A 4 18.226 -3.432 -11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.094 -1.274 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.727 -1.128 -11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.301 -1.041 -12.962 1.00 0.00 H new ATOM 52 N PRO A 5 15.985 -4.422 -11.375 1.00 0.00 N ATOM 53 CA PRO A 5 14.738 -5.222 -11.453 1.00 0.00 C ATOM 54 C PRO A 5 13.535 -4.362 -11.767 1.00 0.00 C ATOM 55 O PRO A 5 12.739 -4.690 -12.639 1.00 0.00 O ATOM 56 CB PRO A 5 14.560 -5.702 -10.020 1.00 0.00 C ATOM 57 CG PRO A 5 15.891 -5.615 -9.363 1.00 0.00 C ATOM 58 CD PRO A 5 16.721 -4.609 -10.127 1.00 0.00 C ATOM 0 HA PRO A 5 14.808 -5.994 -12.219 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.830 -5.086 -9.495 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.186 -6.726 -10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.784 -5.309 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.380 -6.589 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.820 -3.673 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.730 -4.980 -10.310 1.00 0.00 H new ATOM 66 N GLU A 6 13.493 -3.227 -11.063 1.00 0.00 N ATOM 67 CA GLU A 6 12.523 -2.136 -11.181 1.00 0.00 C ATOM 68 C GLU A 6 12.154 -1.651 -9.775 1.00 0.00 C ATOM 69 O GLU A 6 12.741 -2.109 -8.786 1.00 0.00 O ATOM 70 CB GLU A 6 11.228 -2.477 -11.984 1.00 0.00 C ATOM 71 CG GLU A 6 10.277 -3.471 -11.311 1.00 0.00 C ATOM 72 CD GLU A 6 9.027 -3.758 -12.149 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.559 -2.832 -12.867 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.481 -4.885 -12.054 1.00 0.00 O ATOM 0 H GLU A 6 14.188 -3.033 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 6 13.014 -1.357 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.684 -1.551 -12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.519 -2.879 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.807 -4.405 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.975 -3.078 -10.340 1.00 0.00 H new ATOM 81 N TRP A 7 11.202 -0.732 -9.683 1.00 0.00 N ATOM 82 CA TRP A 7 10.726 -0.267 -8.400 1.00 0.00 C ATOM 83 C TRP A 7 9.402 -0.892 -8.092 1.00 0.00 C ATOM 84 O TRP A 7 8.486 -0.890 -8.913 1.00 0.00 O ATOM 85 CB TRP A 7 10.613 1.271 -8.369 1.00 0.00 C ATOM 86 CG TRP A 7 9.912 1.811 -7.137 1.00 0.00 C ATOM 87 CD1 TRP A 7 10.428 1.961 -5.884 1.00 0.00 C ATOM 88 CD2 TRP A 7 8.552 2.306 -7.070 1.00 0.00 C ATOM 89 NE1 TRP A 7 9.469 2.493 -5.039 1.00 0.00 N ATOM 90 CE2 TRP A 7 8.320 2.720 -5.747 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.509 2.426 -8.009 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.095 3.253 -5.326 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.287 2.956 -7.590 1.00 0.00 C ATOM 94 CH2 TRP A 7 6.093 3.365 -6.256 1.00 0.00 C ATOM 0 H TRP A 7 10.748 -0.297 -10.486 1.00 0.00 H new ATOM 0 HA TRP A 7 11.449 -0.563 -7.640 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.613 1.700 -8.423 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.075 1.604 -9.256 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.436 1.703 -5.594 1.00 0.00 H new ATOM 0 HE1 TRP A 7 9.598 2.685 -4.046 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.652 2.114 -9.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.944 3.565 -4.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.478 3.054 -8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 7 5.138 3.774 -5.960 1.00 0.00 H new ATOM 105 N LEU A 8 9.310 -1.434 -6.894 1.00 0.00 N ATOM 106 CA LEU A 8 8.110 -2.066 -6.426 1.00 0.00 C ATOM 107 C LEU A 8 7.524 -1.237 -5.295 1.00 0.00 C ATOM 108 O LEU A 8 8.182 -1.021 -4.306 1.00 0.00 O ATOM 109 CB LEU A 8 8.431 -3.484 -5.925 1.00 0.00 C ATOM 110 CG LEU A 8 7.244 -4.301 -5.476 1.00 0.00 C ATOM 111 CD1 LEU A 8 6.308 -4.571 -6.641 1.00 0.00 C ATOM 112 CD2 LEU A 8 7.697 -5.599 -4.831 1.00 0.00 C ATOM 0 H LEU A 8 10.075 -1.444 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 8 7.388 -2.136 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.941 -4.025 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.131 -3.406 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 8 6.697 -3.727 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.459 -5.161 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.951 -3.625 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.841 -5.121 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.825 -6.172 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.273 -6.181 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.319 -5.377 -3.964 1.00 0.00 H new ATOM 124 N PRO A 9 6.293 -0.749 -5.440 1.00 0.00 N ATOM 125 CA PRO A 9 5.659 0.105 -4.421 1.00 0.00 C ATOM 126 C PRO A 9 5.673 -0.553 -3.042 1.00 0.00 C ATOM 127 O PRO A 9 5.831 0.100 -2.015 1.00 0.00 O ATOM 128 CB PRO A 9 4.194 0.153 -4.861 1.00 0.00 C ATOM 129 CG PRO A 9 4.168 -0.189 -6.317 1.00 0.00 C ATOM 130 CD PRO A 9 5.458 -0.902 -6.652 1.00 0.00 C ATOM 0 HA PRO A 9 6.167 1.066 -4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.595 -0.554 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.771 1.143 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.312 -0.824 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.064 0.714 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.282 -1.953 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.940 -0.461 -7.524 1.00 0.00 H new ATOM 138 N PHE A 10 5.458 -1.850 -3.060 1.00 0.00 N ATOM 139 CA PHE A 10 5.278 -2.655 -1.863 1.00 0.00 C ATOM 140 C PHE A 10 6.539 -2.609 -1.030 1.00 0.00 C ATOM 141 O PHE A 10 6.511 -2.492 0.197 1.00 0.00 O ATOM 142 CB PHE A 10 5.149 -4.125 -2.205 1.00 0.00 C ATOM 143 CG PHE A 10 4.177 -4.495 -3.283 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.305 -3.570 -3.860 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.220 -5.770 -3.786 1.00 0.00 C ATOM 146 CE1 PHE A 10 2.483 -3.938 -4.911 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.424 -6.153 -4.829 1.00 0.00 C ATOM 148 CZ PHE A 10 2.544 -5.236 -5.401 1.00 0.00 C ATOM 0 H PHE A 10 5.402 -2.390 -3.924 1.00 0.00 H new ATOM 0 HA PHE A 10 4.394 -2.264 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.133 -4.491 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.867 -4.659 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.272 -2.558 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.898 -6.488 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.801 -3.223 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.477 -7.163 -5.209 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.911 -5.534 -6.224 1.00 0.00 H new ATOM 158 N ALA A 11 7.646 -2.738 -1.747 1.00 0.00 N ATOM 159 CA ALA A 11 8.915 -3.078 -1.159 1.00 0.00 C ATOM 160 C ALA A 11 10.033 -2.106 -1.476 1.00 0.00 C ATOM 161 O ALA A 11 10.117 -1.548 -2.563 1.00 0.00 O ATOM 162 CB ALA A 11 9.288 -4.462 -1.648 1.00 0.00 C ATOM 0 H ALA A 11 7.680 -2.607 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 11 8.797 -3.037 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.248 -4.753 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.523 -5.175 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.362 -4.456 -2.735 1.00 0.00 H new ATOM 168 N ARG A 12 10.910 -1.943 -0.508 1.00 0.00 N ATOM 169 CA ARG A 12 12.072 -1.072 -0.639 1.00 0.00 C ATOM 170 C ARG A 12 13.369 -1.851 -0.347 1.00 0.00 C ATOM 171 O ARG A 12 13.790 -1.955 0.802 1.00 0.00 O ATOM 172 CB ARG A 12 11.959 0.129 0.316 1.00 0.00 C ATOM 173 CG ARG A 12 11.449 -0.247 1.700 1.00 0.00 C ATOM 174 CD ARG A 12 12.061 0.620 2.784 1.00 0.00 C ATOM 175 NE ARG A 12 11.985 2.045 2.461 1.00 0.00 N ATOM 176 CZ ARG A 12 12.939 2.925 2.787 1.00 0.00 C ATOM 177 NH1 ARG A 12 14.031 2.508 3.422 1.00 0.00 N ATOM 178 NH2 ARG A 12 12.807 4.218 2.474 1.00 0.00 N ATOM 0 H ARG A 12 10.842 -2.409 0.397 1.00 0.00 H new ATOM 0 HA ARG A 12 12.105 -0.705 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.937 0.600 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.290 0.870 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.364 -0.148 1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.679 -1.294 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.548 0.435 3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.104 0.337 2.928 1.00 0.00 H new ATOM 0 HE ARG A 12 11.163 2.385 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.138 1.522 3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.761 3.175 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.974 4.541 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.540 4.881 2.727 1.00 0.00 H new ATOM 192 N PRO A 13 13.991 -2.459 -1.377 1.00 0.00 N ATOM 193 CA PRO A 13 15.231 -3.208 -1.214 1.00 0.00 C ATOM 194 C PRO A 13 16.400 -2.325 -0.858 1.00 0.00 C ATOM 195 O PRO A 13 16.466 -1.161 -1.271 1.00 0.00 O ATOM 196 CB PRO A 13 15.395 -3.902 -2.547 1.00 0.00 C ATOM 197 CG PRO A 13 14.794 -2.965 -3.509 1.00 0.00 C ATOM 198 CD PRO A 13 13.592 -2.398 -2.797 1.00 0.00 C ATOM 0 HA PRO A 13 15.194 -3.911 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.445 -4.089 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.889 -4.867 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.496 -2.179 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.505 -3.474 -4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.379 -1.377 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.694 -2.985 -2.990 1.00 0.00 H new ATOM 206 N THR A 14 17.346 -2.879 -0.135 1.00 0.00 N ATOM 207 CA THR A 14 18.445 -2.080 0.376 1.00 0.00 C ATOM 208 C THR A 14 19.712 -2.209 -0.488 1.00 0.00 C ATOM 209 O THR A 14 20.699 -1.537 -0.248 1.00 0.00 O ATOM 210 CB THR A 14 18.747 -2.419 1.870 1.00 0.00 C ATOM 211 OG1 THR A 14 19.719 -1.513 2.403 1.00 0.00 O ATOM 212 CG2 THR A 14 19.238 -3.865 2.046 1.00 0.00 C ATOM 0 H THR A 14 17.381 -3.868 0.113 1.00 0.00 H new ATOM 0 HA THR A 14 18.127 -1.039 0.323 1.00 0.00 H new ATOM 0 HB THR A 14 17.810 -2.313 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.239 -1.122 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.436 -4.056 3.101 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.473 -4.555 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.154 -4.011 1.473 1.00 0.00 H new ATOM 220 N GLN A 15 19.658 -3.082 -1.491 1.00 0.00 N ATOM 221 CA GLN A 15 20.838 -3.369 -2.345 1.00 0.00 C ATOM 222 C GLN A 15 20.699 -2.551 -3.618 1.00 0.00 C ATOM 223 O GLN A 15 21.590 -1.916 -4.077 1.00 0.00 O ATOM 224 CB GLN A 15 20.717 -4.799 -2.750 1.00 0.00 C ATOM 225 CG GLN A 15 20.498 -5.721 -1.628 1.00 0.00 C ATOM 226 CD GLN A 15 19.891 -6.952 -2.171 1.00 0.00 C ATOM 227 OE1 GLN A 15 18.606 -6.826 -2.451 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 20.541 -7.931 -2.465 1.00 0.00 N flip ATOM 0 H GLN A 15 18.820 -3.607 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 15 21.773 -3.149 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.891 -4.898 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.624 -5.094 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.440 -5.947 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 15 19.844 -5.268 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.531 -7.977 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.098 -8.710 -2.953 1.00 0.00 H new ATOM 237 N LEU A 16 19.480 -2.472 -4.038 1.00 0.00 N ATOM 238 CA LEU A 16 19.061 -1.895 -5.292 1.00 0.00 C ATOM 239 C LEU A 16 19.380 -0.453 -5.426 1.00 0.00 C ATOM 240 O LEU A 16 19.798 -0.007 -6.487 1.00 0.00 O ATOM 241 CB LEU A 16 17.579 -2.173 -5.483 1.00 0.00 C ATOM 242 CG LEU A 16 16.900 -1.587 -6.713 1.00 0.00 C ATOM 243 CD1 LEU A 16 15.704 -2.432 -7.073 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.434 -0.185 -6.397 1.00 0.00 C ATOM 0 H LEU A 16 18.697 -2.827 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 16 19.634 -2.370 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.441 -3.254 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.053 -1.805 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 16 17.602 -1.568 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.216 -2.015 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.029 -3.450 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.002 -2.443 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.946 0.242 -7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.728 -0.215 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.291 0.430 -6.123 1.00 0.00 H new ATOM 256 N THR A 17 19.201 0.253 -4.382 1.00 0.00 N ATOM 257 CA THR A 17 19.241 1.682 -4.410 1.00 0.00 C ATOM 258 C THR A 17 20.605 2.193 -4.900 1.00 0.00 C ATOM 259 O THR A 17 20.666 3.138 -5.685 1.00 0.00 O ATOM 260 CB THR A 17 18.923 2.260 -2.992 1.00 0.00 C ATOM 261 OG1 THR A 17 19.102 3.689 -2.960 1.00 0.00 O ATOM 262 CG2 THR A 17 19.806 1.592 -1.921 1.00 0.00 C ATOM 0 H THR A 17 19.018 -0.140 -3.459 1.00 0.00 H new ATOM 0 HA THR A 17 18.482 2.026 -5.113 1.00 0.00 H new ATOM 0 HB THR A 17 17.878 2.041 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.895 4.025 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.569 2.009 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.619 0.518 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.856 1.776 -2.149 1.00 0.00 H new ATOM 270 N ASP A 18 21.684 1.612 -4.417 1.00 0.00 N ATOM 271 CA ASP A 18 22.988 2.062 -4.812 1.00 0.00 C ATOM 272 C ASP A 18 23.771 1.008 -5.590 1.00 0.00 C ATOM 273 O ASP A 18 24.939 1.225 -5.917 1.00 0.00 O ATOM 274 CB ASP A 18 23.768 2.607 -3.599 1.00 0.00 C ATOM 275 CG ASP A 18 23.847 1.634 -2.420 1.00 0.00 C ATOM 276 OD1 ASP A 18 23.228 0.558 -2.473 1.00 0.00 O ATOM 277 OD2 ASP A 18 24.501 1.977 -1.414 1.00 0.00 O ATOM 0 H ASP A 18 21.677 0.835 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 18 22.848 2.886 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.780 2.861 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.297 3.531 -3.263 1.00 0.00 H new ATOM 282 N GLU A 19 23.135 -0.134 -5.904 1.00 0.00 N ATOM 283 CA GLU A 19 23.879 -1.202 -6.578 1.00 0.00 C ATOM 284 C GLU A 19 23.293 -1.430 -7.989 1.00 0.00 C ATOM 285 O GLU A 19 24.003 -1.368 -8.982 1.00 0.00 O ATOM 286 CB GLU A 19 23.774 -2.483 -5.757 1.00 0.00 C ATOM 287 CG GLU A 19 24.345 -2.310 -4.367 1.00 0.00 C ATOM 288 CD GLU A 19 24.292 -3.556 -3.508 1.00 0.00 C ATOM 289 OE1 GLU A 19 23.855 -4.606 -4.004 1.00 0.00 O ATOM 290 OE2 GLU A 19 24.670 -3.477 -2.313 1.00 0.00 O ATOM 0 H GLU A 19 22.153 -0.334 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 19 24.927 -0.918 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.729 -2.784 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.303 -3.287 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.382 -1.986 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.802 -1.512 -3.861 1.00 0.00 H new ATOM 297 N PHE A 20 21.978 -1.685 -8.017 1.00 0.00 N ATOM 298 CA PHE A 20 21.118 -1.844 -9.246 1.00 0.00 C ATOM 299 C PHE A 20 21.454 -3.078 -10.106 1.00 0.00 C ATOM 300 O PHE A 20 20.556 -3.752 -10.615 1.00 0.00 O ATOM 301 CB PHE A 20 21.211 -0.632 -10.169 1.00 0.00 C ATOM 302 CG PHE A 20 20.609 0.626 -9.633 1.00 0.00 C ATOM 303 CD1 PHE A 20 19.251 0.867 -9.736 1.00 0.00 C ATOM 304 CD2 PHE A 20 21.419 1.585 -9.051 1.00 0.00 C ATOM 305 CE1 PHE A 20 18.708 2.052 -9.257 1.00 0.00 C ATOM 306 CE2 PHE A 20 20.897 2.767 -8.580 1.00 0.00 C ATOM 307 CZ PHE A 20 19.533 3.010 -8.682 1.00 0.00 C ATOM 0 H PHE A 20 21.440 -1.795 -7.157 1.00 0.00 H new ATOM 0 HA PHE A 20 20.115 -1.961 -8.835 1.00 0.00 H new ATOM 0 HB2 PHE A 20 22.261 -0.446 -10.393 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.722 -0.876 -11.112 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.608 0.128 -10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.480 1.402 -8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.645 2.228 -9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 20 21.546 3.505 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.117 3.937 -8.317 1.00 0.00 H new ATOM 317 N GLU A 21 22.709 -3.385 -10.225 1.00 0.00 N ATOM 318 CA GLU A 21 23.160 -4.412 -11.172 1.00 0.00 C ATOM 319 C GLU A 21 23.700 -5.628 -10.503 1.00 0.00 C ATOM 320 O GLU A 21 24.518 -5.530 -9.591 1.00 0.00 O ATOM 321 CB GLU A 21 24.196 -3.840 -12.132 1.00 0.00 C ATOM 322 CG GLU A 21 23.625 -2.782 -13.039 1.00 0.00 C ATOM 323 CD GLU A 21 22.571 -3.347 -13.955 1.00 0.00 C ATOM 324 OE1 GLU A 21 22.415 -4.600 -14.004 1.00 0.00 O ATOM 325 OE2 GLU A 21 21.905 -2.569 -14.633 1.00 0.00 O ATOM 0 H GLU A 21 23.457 -2.949 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 21 22.277 -4.723 -11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.021 -3.416 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.610 -4.647 -12.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.194 -1.981 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.425 -2.340 -13.633 1.00 0.00 H new ATOM 332 N PHE A 22 23.254 -6.794 -10.972 1.00 0.00 N ATOM 333 CA PHE A 22 23.649 -8.026 -10.346 1.00 0.00 C ATOM 334 C PHE A 22 24.176 -9.080 -11.335 1.00 0.00 C ATOM 335 O PHE A 22 23.693 -9.198 -12.447 1.00 0.00 O ATOM 336 CB PHE A 22 22.507 -8.578 -9.483 1.00 0.00 C ATOM 337 CG PHE A 22 22.144 -7.670 -8.325 1.00 0.00 C ATOM 338 CD1 PHE A 22 21.188 -6.673 -8.476 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.768 -7.803 -7.098 1.00 0.00 C ATOM 340 CE1 PHE A 22 20.868 -5.832 -7.428 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.450 -6.970 -6.053 1.00 0.00 C ATOM 342 CZ PHE A 22 21.500 -5.985 -6.218 1.00 0.00 C ATOM 0 H PHE A 22 22.629 -6.897 -11.772 1.00 0.00 H new ATOM 0 HA PHE A 22 24.495 -7.791 -9.701 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.627 -8.728 -10.108 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.793 -9.555 -9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.688 -6.554 -9.426 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.514 -8.571 -6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 22 20.125 -5.059 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.945 -7.087 -5.100 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.252 -5.332 -5.394 1.00 0.00 H new ATOM 352 N PRO A 23 25.172 -9.870 -10.869 1.00 0.00 N ATOM 353 CA PRO A 23 25.872 -10.925 -11.658 1.00 0.00 C ATOM 354 C PRO A 23 24.948 -11.984 -12.287 1.00 0.00 C ATOM 355 O PRO A 23 25.298 -12.551 -13.321 1.00 0.00 O ATOM 356 CB PRO A 23 26.789 -11.587 -10.623 1.00 0.00 C ATOM 357 CG PRO A 23 26.995 -10.563 -9.564 1.00 0.00 C ATOM 358 CD PRO A 23 25.764 -9.725 -9.523 1.00 0.00 C ATOM 0 HA PRO A 23 26.379 -10.481 -12.514 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.333 -12.489 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.737 -11.884 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.171 -11.037 -8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.870 -9.952 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.077 -10.066 -8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.000 -8.684 -9.303 1.00 0.00 H new ATOM 366 N ILE A 24 23.826 -12.302 -11.592 1.00 0.00 N ATOM 367 CA ILE A 24 22.826 -13.344 -11.995 1.00 0.00 C ATOM 368 C ILE A 24 22.902 -14.497 -11.013 1.00 0.00 C ATOM 369 O ILE A 24 23.976 -14.788 -10.492 1.00 0.00 O ATOM 370 CB ILE A 24 22.986 -13.845 -13.491 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.199 -12.949 -14.477 1.00 0.00 C ATOM 372 CG2 ILE A 24 22.559 -15.293 -13.667 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.600 -11.492 -14.464 1.00 0.00 C ATOM 0 H ILE A 24 23.580 -11.837 -10.718 1.00 0.00 H new ATOM 0 HA ILE A 24 21.839 -12.884 -11.962 1.00 0.00 H new ATOM 0 HB ILE A 24 24.050 -13.776 -13.718 1.00 0.00 H new ATOM 0 HG12 ILE A 24 22.331 -13.339 -15.486 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.137 -13.022 -14.244 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.688 -15.586 -14.709 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.171 -15.933 -13.031 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.511 -15.400 -13.387 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.996 -10.942 -15.186 1.00 0.00 H new ATOM 0 HD12 ILE A 24 22.440 -11.080 -13.468 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.653 -11.402 -14.729 1.00 0.00 H new ATOM 385 N GLY A 25 21.772 -15.159 -10.741 1.00 0.00 N ATOM 386 CA GLY A 25 21.808 -16.230 -9.756 1.00 0.00 C ATOM 387 C GLY A 25 21.944 -15.686 -8.347 1.00 0.00 C ATOM 388 O GLY A 25 22.522 -16.324 -7.478 1.00 0.00 O ATOM 0 H GLY A 25 20.864 -14.980 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.898 -16.825 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.643 -16.896 -9.972 1.00 0.00 H new ATOM 392 N THR A 26 21.393 -14.511 -8.125 1.00 0.00 N ATOM 393 CA THR A 26 21.551 -13.820 -6.878 1.00 0.00 C ATOM 394 C THR A 26 20.209 -13.570 -6.245 1.00 0.00 C ATOM 395 O THR A 26 19.216 -13.355 -6.936 1.00 0.00 O ATOM 396 CB THR A 26 22.231 -12.465 -7.122 1.00 0.00 C ATOM 397 OG1 THR A 26 22.565 -11.853 -5.878 1.00 0.00 O ATOM 398 CG2 THR A 26 21.317 -11.530 -7.927 1.00 0.00 C ATOM 0 H THR A 26 20.824 -14.014 -8.810 1.00 0.00 H new ATOM 0 HA THR A 26 22.160 -14.437 -6.217 1.00 0.00 H new ATOM 0 HB THR A 26 23.141 -12.641 -7.696 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.000 -10.990 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 26 21.821 -10.577 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 26 21.088 -11.985 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 20.391 -11.363 -7.376 1.00 0.00 H new ATOM 406 N TYR A 27 20.177 -13.608 -4.936 1.00 0.00 N ATOM 407 CA TYR A 27 18.954 -13.419 -4.226 1.00 0.00 C ATOM 408 C TYR A 27 18.942 -12.024 -3.587 1.00 0.00 C ATOM 409 O TYR A 27 19.860 -11.649 -2.865 1.00 0.00 O ATOM 410 CB TYR A 27 18.843 -14.539 -3.164 1.00 0.00 C ATOM 411 CG TYR A 27 18.543 -15.928 -3.751 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.497 -16.642 -4.479 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.316 -16.528 -3.541 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.209 -17.902 -4.987 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.026 -17.783 -4.042 1.00 0.00 C ATOM 416 CZ TYR A 27 17.975 -18.464 -4.767 1.00 0.00 C ATOM 417 OH TYR A 27 17.687 -19.713 -5.274 1.00 0.00 O ATOM 0 H TYR A 27 20.993 -13.769 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 27 18.095 -13.477 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 27 19.776 -14.587 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.057 -14.278 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.472 -16.209 -4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.564 -16.003 -2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.954 -18.439 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.058 -18.227 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 27 16.772 -19.964 -5.027 1.00 0.00 H new ATOM 427 N LEU A 28 17.863 -11.299 -3.839 1.00 0.00 N ATOM 428 CA LEU A 28 17.688 -9.903 -3.375 1.00 0.00 C ATOM 429 C LEU A 28 16.828 -9.707 -2.151 1.00 0.00 C ATOM 430 O LEU A 28 15.772 -10.292 -2.005 1.00 0.00 O ATOM 431 CB LEU A 28 17.253 -8.948 -4.476 1.00 0.00 C ATOM 432 CG LEU A 28 18.368 -8.354 -5.330 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.130 -9.414 -6.061 1.00 0.00 C ATOM 434 CD2 LEU A 28 17.785 -7.340 -6.285 1.00 0.00 C ATOM 0 H LEU A 28 17.070 -11.652 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 28 18.702 -9.650 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.561 -9.475 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.697 -8.129 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 28 19.080 -7.855 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.916 -8.951 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 19.577 -10.101 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.453 -9.963 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.582 -6.915 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.053 -7.826 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.298 -6.545 -5.719 1.00 0.00 H new ATOM 446 N ASN A 29 17.307 -8.833 -1.296 1.00 0.00 N ATOM 447 CA ASN A 29 16.696 -8.494 -0.058 1.00 0.00 C ATOM 448 C ASN A 29 15.679 -7.376 -0.285 1.00 0.00 C ATOM 449 O ASN A 29 16.042 -6.218 -0.549 1.00 0.00 O ATOM 450 CB ASN A 29 17.800 -7.974 0.888 1.00 0.00 C ATOM 451 CG ASN A 29 17.308 -7.678 2.311 1.00 0.00 C ATOM 452 OD1 ASN A 29 16.132 -7.418 2.537 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.217 -7.721 3.271 1.00 0.00 N ATOM 0 H ASN A 29 18.174 -8.323 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 29 16.194 -9.363 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 29 18.601 -8.712 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.229 -7.065 0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.948 -7.534 4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.187 -7.941 3.045 1.00 0.00 H new ATOM 460 N TYR A 30 14.430 -7.743 -0.217 1.00 0.00 N ATOM 461 CA TYR A 30 13.300 -6.805 -0.279 1.00 0.00 C ATOM 462 C TYR A 30 12.550 -6.689 1.032 1.00 0.00 C ATOM 463 O TYR A 30 12.320 -7.679 1.721 1.00 0.00 O ATOM 464 CB TYR A 30 12.319 -7.154 -1.394 1.00 0.00 C ATOM 465 CG TYR A 30 12.696 -6.684 -2.775 1.00 0.00 C ATOM 466 CD1 TYR A 30 13.936 -6.924 -3.341 1.00 0.00 C ATOM 467 CD2 TYR A 30 11.770 -5.965 -3.508 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.232 -6.449 -4.609 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.039 -5.499 -4.759 1.00 0.00 C ATOM 470 CZ TYR A 30 13.272 -5.733 -5.314 1.00 0.00 C ATOM 471 OH TYR A 30 13.553 -5.249 -6.563 1.00 0.00 O ATOM 0 H TYR A 30 14.144 -8.717 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 30 13.752 -5.837 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.199 -8.237 -1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.346 -6.732 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 30 14.677 -7.485 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 30 10.801 -5.766 -3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.202 -6.634 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.289 -4.950 -5.309 1.00 0.00 H new ATOM 0 HH TYR A 30 12.771 -4.774 -6.913 1.00 0.00 H new ATOM 481 N GLU A 31 12.181 -5.465 1.373 1.00 0.00 N ATOM 482 CA GLU A 31 11.407 -5.212 2.560 1.00 0.00 C ATOM 483 C GLU A 31 10.050 -4.663 2.167 1.00 0.00 C ATOM 484 O GLU A 31 9.963 -3.719 1.388 1.00 0.00 O ATOM 485 CB GLU A 31 12.109 -4.188 3.461 1.00 0.00 C ATOM 486 CG GLU A 31 11.381 -3.919 4.779 1.00 0.00 C ATOM 487 CD GLU A 31 12.092 -2.914 5.662 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.003 -2.230 5.177 1.00 0.00 O ATOM 489 OE2 GLU A 31 11.744 -2.817 6.854 1.00 0.00 O ATOM 0 H GLU A 31 12.411 -4.630 0.834 1.00 0.00 H new ATOM 0 HA GLU A 31 11.297 -6.149 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.117 -4.542 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.212 -3.250 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.376 -3.556 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.271 -4.857 5.323 1.00 0.00 H new ATOM 496 N CYS A 32 9.004 -5.237 2.695 1.00 0.00 N ATOM 497 CA CYS A 32 7.679 -4.717 2.444 1.00 0.00 C ATOM 498 C CYS A 32 7.378 -3.679 3.483 1.00 0.00 C ATOM 499 O CYS A 32 7.719 -3.835 4.650 1.00 0.00 O ATOM 500 CB CYS A 32 6.617 -5.815 2.369 1.00 0.00 C ATOM 501 SG CYS A 32 6.755 -6.848 0.866 1.00 0.00 S ATOM 0 H CYS A 32 9.037 -6.059 3.298 1.00 0.00 H new ATOM 0 HA CYS A 32 7.653 -4.252 1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.700 -6.453 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.628 -5.358 2.398 1.00 0.00 H new ATOM 506 N ARG A 33 6.739 -2.622 3.079 1.00 0.00 N ATOM 507 CA ARG A 33 6.657 -1.442 3.946 1.00 0.00 C ATOM 508 C ARG A 33 5.234 -1.010 4.359 1.00 0.00 C ATOM 509 O ARG A 33 4.988 -0.812 5.543 1.00 0.00 O ATOM 510 CB ARG A 33 7.479 -0.294 3.307 1.00 0.00 C ATOM 511 CG ARG A 33 7.160 1.126 3.785 1.00 0.00 C ATOM 512 CD ARG A 33 7.530 1.342 5.251 1.00 0.00 C ATOM 513 NE ARG A 33 6.331 1.456 6.082 1.00 0.00 N ATOM 514 CZ ARG A 33 6.149 2.353 7.066 1.00 0.00 C ATOM 515 NH1 ARG A 33 7.159 3.098 7.496 1.00 0.00 N ATOM 516 NH2 ARG A 33 4.965 2.462 7.648 1.00 0.00 N ATOM 0 H ARG A 33 6.270 -2.533 2.178 1.00 0.00 H new ATOM 0 HA ARG A 33 7.094 -1.723 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.536 -0.487 3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.334 -0.331 2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.699 1.844 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.097 1.322 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.142 0.511 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.132 2.245 5.349 1.00 0.00 H new ATOM 0 HE ARG A 33 5.571 0.801 5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.084 2.993 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.011 3.776 8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.193 1.866 7.349 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.825 3.142 8.395 1.00 0.00 H new ATOM 530 N PRO A 34 4.286 -0.854 3.425 1.00 0.00 N ATOM 531 CA PRO A 34 2.940 -0.395 3.764 1.00 0.00 C ATOM 532 C PRO A 34 2.101 -1.388 4.592 1.00 0.00 C ATOM 533 O PRO A 34 0.879 -1.257 4.657 1.00 0.00 O ATOM 534 CB PRO A 34 2.270 -0.107 2.435 1.00 0.00 C ATOM 535 CG PRO A 34 3.115 -0.742 1.390 1.00 0.00 C ATOM 536 CD PRO A 34 4.463 -1.018 1.983 1.00 0.00 C ATOM 0 HA PRO A 34 3.015 0.478 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.258 -0.512 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.187 0.967 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.657 -1.667 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.207 -0.085 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.802 -2.025 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.212 -0.327 1.597 1.00 0.00 H new ATOM 544 N GLY A 35 2.754 -2.357 5.239 1.00 0.00 N ATOM 545 CA GLY A 35 2.033 -3.292 6.063 1.00 0.00 C ATOM 546 C GLY A 35 1.515 -4.503 5.343 1.00 0.00 C ATOM 547 O GLY A 35 0.668 -5.196 5.863 1.00 0.00 O ATOM 0 H GLY A 35 3.763 -2.502 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.686 -3.620 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.192 -2.774 6.524 1.00 0.00 H new ATOM 551 N TYR A 36 2.076 -4.828 4.194 1.00 0.00 N ATOM 552 CA TYR A 36 1.599 -6.005 3.479 1.00 0.00 C ATOM 553 C TYR A 36 1.898 -7.291 4.242 1.00 0.00 C ATOM 554 O TYR A 36 2.948 -7.445 4.859 1.00 0.00 O ATOM 555 CB TYR A 36 2.182 -6.128 2.084 1.00 0.00 C ATOM 556 CG TYR A 36 1.684 -5.151 1.039 1.00 0.00 C ATOM 557 CD1 TYR A 36 0.473 -5.396 0.404 1.00 0.00 C ATOM 558 CD2 TYR A 36 2.407 -4.033 0.646 1.00 0.00 C ATOM 559 CE1 TYR A 36 -0.005 -4.565 -0.578 1.00 0.00 C ATOM 560 CE2 TYR A 36 1.925 -3.191 -0.355 1.00 0.00 C ATOM 561 CZ TYR A 36 0.719 -3.467 -0.957 1.00 0.00 C ATOM 562 OH TYR A 36 0.235 -2.641 -1.950 1.00 0.00 O ATOM 0 H TYR A 36 2.836 -4.317 3.745 1.00 0.00 H new ATOM 0 HA TYR A 36 0.521 -5.866 3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.264 -6.021 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.986 -7.138 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.106 -6.261 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.352 -3.813 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.952 -4.777 -1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.496 -2.325 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 36 0.866 -1.907 -2.101 1.00 0.00 H new ATOM 572 N SER A 37 0.921 -8.203 4.177 1.00 0.00 N ATOM 573 CA SER A 37 0.890 -9.446 4.948 1.00 0.00 C ATOM 574 C SER A 37 2.054 -10.364 4.632 1.00 0.00 C ATOM 575 O SER A 37 2.682 -10.944 5.537 1.00 0.00 O ATOM 576 CB SER A 37 -0.407 -10.208 4.625 1.00 0.00 C ATOM 577 OG SER A 37 -0.510 -11.414 5.381 1.00 0.00 O ATOM 0 H SER A 37 0.109 -8.091 3.569 1.00 0.00 H new ATOM 0 HA SER A 37 0.950 -9.166 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.266 -9.571 4.836 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.437 -10.441 3.561 1.00 0.00 H new ATOM 0 HG SER A 37 -1.346 -11.873 5.153 1.00 0.00 H new ATOM 583 N GLY A 38 2.350 -10.481 3.365 1.00 0.00 N ATOM 584 CA GLY A 38 3.303 -11.454 2.937 1.00 0.00 C ATOM 585 C GLY A 38 4.691 -11.208 3.430 1.00 0.00 C ATOM 586 O GLY A 38 5.088 -10.075 3.689 1.00 0.00 O ATOM 0 H GLY A 38 1.944 -9.915 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.978 -12.438 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.315 -11.480 1.847 1.00 0.00 H new ATOM 590 N ARG A 39 5.425 -12.286 3.597 1.00 0.00 N ATOM 591 CA ARG A 39 6.791 -12.208 3.962 1.00 0.00 C ATOM 592 C ARG A 39 7.537 -12.015 2.672 1.00 0.00 C ATOM 593 O ARG A 39 7.424 -12.840 1.770 1.00 0.00 O ATOM 594 CB ARG A 39 7.192 -13.505 4.695 1.00 0.00 C ATOM 595 CG ARG A 39 8.150 -13.333 5.873 1.00 0.00 C ATOM 596 CD ARG A 39 7.845 -12.098 6.733 1.00 0.00 C ATOM 597 NE ARG A 39 6.408 -11.759 6.807 1.00 0.00 N ATOM 598 CZ ARG A 39 5.904 -10.790 7.582 1.00 0.00 C ATOM 599 NH1 ARG A 39 6.676 -10.209 8.508 1.00 0.00 N ATOM 600 NH2 ARG A 39 4.625 -10.410 7.445 1.00 0.00 N ATOM 0 H ARG A 39 5.075 -13.237 3.479 1.00 0.00 H new ATOM 0 HA ARG A 39 7.013 -11.389 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.286 -13.991 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.651 -14.181 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.106 -14.223 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.170 -13.260 5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.220 -12.269 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.389 -11.244 6.330 1.00 0.00 H new ATOM 0 HE ARG A 39 5.760 -12.297 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.646 -10.504 8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.295 -9.471 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.031 -10.860 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.246 -9.671 8.038 1.00 0.00 H new ATOM 614 N PRO A 40 8.282 -10.920 2.540 1.00 0.00 N ATOM 615 CA PRO A 40 8.901 -10.567 1.261 1.00 0.00 C ATOM 616 C PRO A 40 9.858 -11.627 0.766 1.00 0.00 C ATOM 617 O PRO A 40 10.587 -12.241 1.547 1.00 0.00 O ATOM 618 CB PRO A 40 9.682 -9.293 1.568 1.00 0.00 C ATOM 619 CG PRO A 40 9.139 -8.762 2.849 1.00 0.00 C ATOM 620 CD PRO A 40 8.508 -9.908 3.588 1.00 0.00 C ATOM 0 HA PRO A 40 8.147 -10.455 0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.748 -9.503 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.566 -8.564 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.934 -8.314 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.405 -7.980 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.162 -10.285 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.574 -9.611 4.065 1.00 0.00 H new ATOM 628 N PHE A 41 9.904 -11.792 -0.553 1.00 0.00 N ATOM 629 CA PHE A 41 10.700 -12.841 -1.131 1.00 0.00 C ATOM 630 C PHE A 41 11.726 -12.285 -2.072 1.00 0.00 C ATOM 631 O PHE A 41 11.498 -11.260 -2.754 1.00 0.00 O ATOM 632 CB PHE A 41 9.832 -13.867 -1.879 1.00 0.00 C ATOM 633 CG PHE A 41 8.885 -14.632 -0.985 1.00 0.00 C ATOM 634 CD1 PHE A 41 9.364 -15.594 -0.117 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.524 -14.362 -0.995 1.00 0.00 C ATOM 636 CE1 PHE A 41 8.509 -16.282 0.723 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.659 -15.046 -0.154 1.00 0.00 C ATOM 638 CZ PHE A 41 7.151 -16.005 0.704 1.00 0.00 C ATOM 0 H PHE A 41 9.401 -11.213 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 41 11.203 -13.344 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.255 -13.350 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.483 -14.574 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.422 -15.812 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.134 -13.611 -1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.898 -17.034 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.602 -14.827 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.480 -16.540 1.360 1.00 0.00 H new ATOM 648 N SER A 42 12.866 -12.935 -2.084 1.00 0.00 N ATOM 649 CA SER A 42 13.968 -12.530 -2.884 1.00 0.00 C ATOM 650 C SER A 42 13.695 -12.804 -4.371 1.00 0.00 C ATOM 651 O SER A 42 12.988 -13.748 -4.726 1.00 0.00 O ATOM 652 CB SER A 42 15.212 -13.282 -2.429 1.00 0.00 C ATOM 653 OG SER A 42 15.341 -13.243 -1.010 1.00 0.00 O ATOM 0 H SER A 42 13.044 -13.770 -1.526 1.00 0.00 H new ATOM 0 HA SER A 42 14.121 -11.457 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.159 -14.318 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.096 -12.843 -2.891 1.00 0.00 H new ATOM 0 HG SER A 42 16.146 -13.733 -0.741 1.00 0.00 H new ATOM 659 N ILE A 43 14.251 -11.969 -5.214 1.00 0.00 N ATOM 660 CA ILE A 43 14.163 -12.123 -6.666 1.00 0.00 C ATOM 661 C ILE A 43 15.511 -12.534 -7.210 1.00 0.00 C ATOM 662 O ILE A 43 16.538 -11.987 -6.820 1.00 0.00 O ATOM 663 CB ILE A 43 13.692 -10.845 -7.376 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.494 -9.637 -6.917 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.203 -10.618 -7.204 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.219 -8.385 -7.715 1.00 0.00 C ATOM 0 H ILE A 43 14.785 -11.151 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 43 13.416 -12.892 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 43 13.872 -10.981 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.273 -9.444 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.556 -9.872 -6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.912 -9.704 -7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.655 -11.462 -7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.969 -10.524 -6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.827 -7.567 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.467 -8.559 -8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.164 -8.124 -7.630 1.00 0.00 H new ATOM 678 N ILE A 44 15.521 -13.525 -8.061 1.00 0.00 N ATOM 679 CA ILE A 44 16.786 -14.052 -8.564 1.00 0.00 C ATOM 680 C ILE A 44 16.858 -13.862 -10.082 1.00 0.00 C ATOM 681 O ILE A 44 15.919 -14.237 -10.786 1.00 0.00 O ATOM 682 CB ILE A 44 16.961 -15.564 -8.237 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.462 -15.865 -6.840 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.434 -15.933 -8.304 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.071 -16.449 -6.838 1.00 0.00 C ATOM 0 H ILE A 44 14.687 -13.986 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 44 17.587 -13.502 -8.070 1.00 0.00 H new ATOM 0 HB ILE A 44 16.388 -16.140 -8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.146 -16.562 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.469 -14.949 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.555 -16.992 -8.075 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.814 -15.733 -9.306 1.00 0.00 H new ATOM 0 HG23 ILE A 44 18.991 -15.339 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.761 -16.646 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.379 -15.743 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.067 -17.381 -7.404 1.00 0.00 H new ATOM 697 N CYS A 45 17.939 -13.248 -10.587 1.00 0.00 N ATOM 698 CA CYS A 45 18.083 -13.042 -12.056 1.00 0.00 C ATOM 699 C CYS A 45 18.336 -14.389 -12.761 1.00 0.00 C ATOM 700 O CYS A 45 19.467 -14.719 -13.103 1.00 0.00 O ATOM 701 CB CYS A 45 19.241 -12.037 -12.345 1.00 0.00 C ATOM 702 SG CYS A 45 18.729 -10.537 -13.238 1.00 0.00 S ATOM 0 H CYS A 45 18.713 -12.890 -10.027 1.00 0.00 H new ATOM 0 HA CYS A 45 17.157 -12.621 -12.448 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.696 -11.744 -11.399 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.011 -12.546 -12.925 1.00 0.00 H new ATOM 707 N LEU A 46 17.250 -15.186 -12.924 1.00 0.00 N ATOM 708 CA LEU A 46 17.360 -16.547 -13.498 1.00 0.00 C ATOM 709 C LEU A 46 17.098 -16.595 -14.984 1.00 0.00 C ATOM 710 O LEU A 46 17.908 -17.092 -15.750 1.00 0.00 O ATOM 711 CB LEU A 46 16.409 -17.523 -12.793 1.00 0.00 C ATOM 712 CG LEU A 46 16.609 -17.733 -11.286 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.550 -18.681 -10.758 1.00 0.00 C ATOM 714 CD2 LEU A 46 18.005 -18.262 -10.961 1.00 0.00 C ATOM 0 H LEU A 46 16.301 -14.913 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 46 18.395 -16.846 -13.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.389 -17.175 -12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.496 -18.493 -13.283 1.00 0.00 H new ATOM 0 HG LEU A 46 16.510 -16.764 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.695 -18.828 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.561 -18.258 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.632 -19.640 -11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.102 -18.396 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.157 -19.219 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.754 -17.549 -11.307 1.00 0.00 H new ATOM 726 N LYS A 47 15.978 -16.027 -15.398 1.00 0.00 N ATOM 727 CA LYS A 47 15.574 -16.142 -16.778 1.00 0.00 C ATOM 728 C LYS A 47 15.699 -14.837 -17.484 1.00 0.00 C ATOM 729 O LYS A 47 15.053 -13.865 -17.139 1.00 0.00 O ATOM 730 CB LYS A 47 14.137 -16.629 -16.801 1.00 0.00 C ATOM 731 CG LYS A 47 13.735 -17.015 -18.166 1.00 0.00 C ATOM 732 CD LYS A 47 14.870 -17.780 -18.753 1.00 0.00 C ATOM 733 CE LYS A 47 14.479 -18.578 -19.881 1.00 0.00 C ATOM 734 NZ LYS A 47 13.760 -17.821 -20.936 1.00 0.00 N ATOM 0 H LYS A 47 15.345 -15.491 -14.805 1.00 0.00 H new ATOM 0 HA LYS A 47 16.222 -16.848 -17.297 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.027 -17.481 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.477 -15.845 -16.431 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.830 -17.623 -18.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.512 -16.133 -18.767 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.651 -17.084 -19.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.301 -18.426 -17.988 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.368 -19.033 -20.317 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.842 -19.392 -19.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.028 -18.189 -21.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.734 -17.929 -20.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.013 -16.814 -20.874 1.00 0.00 H new ATOM 748 N ASN A 48 16.600 -14.848 -18.468 1.00 0.00 N ATOM 749 CA ASN A 48 16.888 -13.726 -19.362 1.00 0.00 C ATOM 750 C ASN A 48 17.231 -12.501 -18.556 1.00 0.00 C ATOM 751 O ASN A 48 16.991 -11.380 -18.997 1.00 0.00 O ATOM 752 CB ASN A 48 15.689 -13.427 -20.264 1.00 0.00 C ATOM 753 CG ASN A 48 15.442 -14.505 -21.288 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.578 -15.346 -21.096 1.00 0.00 O ATOM 755 ND2 ASN A 48 16.178 -14.492 -22.375 1.00 0.00 N ATOM 0 H ASN A 48 17.170 -15.669 -18.671 1.00 0.00 H new ATOM 0 HA ASN A 48 17.737 -13.999 -19.989 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.798 -13.307 -19.648 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.853 -12.478 -20.775 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.037 -15.201 -23.095 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.891 -13.773 -22.500 1.00 0.00 H new ATOM 762 N SER A 49 17.873 -12.724 -17.396 1.00 0.00 N ATOM 763 CA SER A 49 18.212 -11.643 -16.452 1.00 0.00 C ATOM 764 C SER A 49 16.954 -10.763 -16.110 1.00 0.00 C ATOM 765 O SER A 49 17.069 -9.690 -15.511 1.00 0.00 O ATOM 766 CB SER A 49 19.338 -10.795 -17.041 1.00 0.00 C ATOM 767 OG SER A 49 19.703 -9.746 -16.192 1.00 0.00 O ATOM 0 H SER A 49 18.170 -13.650 -17.088 1.00 0.00 H new ATOM 0 HA SER A 49 18.551 -12.085 -15.515 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.206 -11.426 -17.231 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.022 -10.390 -18.002 1.00 0.00 H new ATOM 0 HG SER A 49 19.448 -9.966 -15.272 1.00 0.00 H new ATOM 773 N VAL A 50 15.777 -11.229 -16.521 1.00 0.00 N ATOM 774 CA VAL A 50 14.529 -10.507 -16.319 1.00 0.00 C ATOM 775 C VAL A 50 14.225 -10.391 -14.832 1.00 0.00 C ATOM 776 O VAL A 50 13.744 -9.366 -14.376 1.00 0.00 O ATOM 777 CB VAL A 50 13.339 -11.170 -17.062 1.00 0.00 C ATOM 778 CG1 VAL A 50 12.028 -10.477 -16.709 1.00 0.00 C ATOM 779 CG2 VAL A 50 13.559 -11.138 -18.567 1.00 0.00 C ATOM 0 H VAL A 50 15.664 -12.120 -17.004 1.00 0.00 H new ATOM 0 HA VAL A 50 14.658 -9.511 -16.742 1.00 0.00 H new ATOM 0 HB VAL A 50 13.280 -12.210 -16.741 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.207 -10.958 -17.241 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.856 -10.549 -15.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.082 -9.427 -16.998 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.713 -11.608 -19.068 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.649 -10.104 -18.900 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.473 -11.679 -18.813 1.00 0.00 H new ATOM 789 N TRP A 51 14.428 -11.543 -14.153 1.00 0.00 N ATOM 790 CA TRP A 51 14.242 -11.802 -12.701 1.00 0.00 C ATOM 791 C TRP A 51 13.225 -12.939 -12.517 1.00 0.00 C ATOM 792 O TRP A 51 12.361 -13.134 -13.357 1.00 0.00 O ATOM 793 CB TRP A 51 13.909 -10.548 -11.849 1.00 0.00 C ATOM 794 CG TRP A 51 15.079 -9.547 -11.677 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.258 -8.370 -12.349 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.205 -9.646 -10.771 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.410 -7.746 -11.939 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.006 -8.495 -10.972 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.620 -10.580 -9.820 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.182 -8.262 -10.257 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.790 -10.341 -9.118 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.554 -9.196 -9.340 1.00 0.00 C ATOM 0 H TRP A 51 14.750 -12.380 -14.639 1.00 0.00 H new ATOM 0 HA TRP A 51 15.208 -12.113 -12.305 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.069 -10.027 -12.308 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.581 -10.874 -10.862 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.585 -7.984 -13.100 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.763 -6.861 -12.302 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.040 -11.472 -9.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.774 -7.374 -10.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.118 -11.059 -8.381 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.460 -9.047 -8.772 1.00 0.00 H new ATOM 813 N THR A 52 13.328 -13.667 -11.419 1.00 0.00 N ATOM 814 CA THR A 52 12.492 -14.862 -11.185 1.00 0.00 C ATOM 815 C THR A 52 10.971 -14.568 -11.133 1.00 0.00 C ATOM 816 O THR A 52 10.175 -15.249 -11.785 1.00 0.00 O ATOM 817 CB THR A 52 12.947 -15.610 -9.885 1.00 0.00 C ATOM 818 OG1 THR A 52 12.628 -16.997 -9.966 1.00 0.00 O ATOM 819 CG2 THR A 52 12.353 -14.978 -8.628 1.00 0.00 C ATOM 0 H THR A 52 13.982 -13.461 -10.664 1.00 0.00 H new ATOM 0 HA THR A 52 12.646 -15.504 -12.052 1.00 0.00 H new ATOM 0 HB THR A 52 14.030 -15.512 -9.809 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.921 -17.448 -9.147 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.693 -15.526 -7.750 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.676 -13.940 -8.555 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.265 -15.016 -8.681 1.00 0.00 H new ATOM 827 N GLY A 53 10.595 -13.561 -10.396 1.00 0.00 N ATOM 828 CA GLY A 53 9.218 -13.215 -10.241 1.00 0.00 C ATOM 829 C GLY A 53 9.063 -12.240 -9.130 1.00 0.00 C ATOM 830 O GLY A 53 9.122 -12.590 -7.961 1.00 0.00 O ATOM 0 H GLY A 53 11.240 -12.958 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.835 -12.787 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.630 -14.110 -10.036 1.00 0.00 H new ATOM 834 N ALA A 54 8.895 -11.026 -9.483 1.00 0.00 N ATOM 835 CA ALA A 54 8.731 -9.970 -8.533 1.00 0.00 C ATOM 836 C ALA A 54 7.249 -9.819 -8.134 1.00 0.00 C ATOM 837 O ALA A 54 6.869 -8.945 -7.339 1.00 0.00 O ATOM 838 CB ALA A 54 9.319 -8.690 -9.097 1.00 0.00 C ATOM 0 H ALA A 54 8.865 -10.720 -10.455 1.00 0.00 H new ATOM 0 HA ALA A 54 9.271 -10.209 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.195 -7.883 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.380 -8.836 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.805 -8.430 -10.022 1.00 0.00 H new ATOM 844 N LYS A 55 6.447 -10.676 -8.720 1.00 0.00 N ATOM 845 CA LYS A 55 5.026 -10.701 -8.588 1.00 0.00 C ATOM 846 C LYS A 55 4.446 -11.372 -7.313 1.00 0.00 C ATOM 847 O LYS A 55 4.934 -12.407 -6.837 1.00 0.00 O ATOM 848 CB LYS A 55 4.423 -11.372 -9.770 1.00 0.00 C ATOM 849 CG LYS A 55 2.947 -11.406 -9.651 1.00 0.00 C ATOM 850 CD LYS A 55 2.278 -12.086 -10.787 1.00 0.00 C ATOM 851 CE LYS A 55 0.814 -12.033 -10.547 1.00 0.00 C ATOM 852 NZ LYS A 55 0.033 -12.694 -11.629 1.00 0.00 N ATOM 0 H LYS A 55 6.797 -11.412 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 55 4.762 -9.647 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.708 -10.844 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.810 -12.387 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.677 -11.912 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.573 -10.385 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.529 -11.596 -11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.615 -13.119 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.588 -12.513 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.501 -10.992 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.982 -12.629 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.225 -12.221 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.310 -13.694 -11.695 1.00 0.00 H new ATOM 866 N ASP A 56 3.396 -10.703 -6.781 1.00 0.00 N ATOM 867 CA ASP A 56 2.494 -11.200 -5.683 1.00 0.00 C ATOM 868 C ASP A 56 3.256 -11.509 -4.442 1.00 0.00 C ATOM 869 O ASP A 56 2.861 -12.362 -3.638 1.00 0.00 O ATOM 870 CB ASP A 56 1.736 -12.477 -6.141 1.00 0.00 C ATOM 871 CG ASP A 56 0.638 -12.234 -7.158 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.214 -11.074 -7.327 1.00 0.00 O ATOM 873 OD2 ASP A 56 0.200 -13.225 -7.799 1.00 0.00 O ATOM 0 H ASP A 56 3.134 -9.772 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 56 1.783 -10.403 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.456 -13.177 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.301 -12.958 -5.265 1.00 0.00 H new ATOM 878 N ARG A 57 4.312 -10.808 -4.275 1.00 0.00 N ATOM 879 CA ARG A 57 5.173 -11.006 -3.162 1.00 0.00 C ATOM 880 C ARG A 57 4.563 -10.636 -1.789 1.00 0.00 C ATOM 881 O ARG A 57 4.761 -11.331 -0.802 1.00 0.00 O ATOM 882 CB ARG A 57 6.484 -10.363 -3.407 1.00 0.00 C ATOM 883 CG ARG A 57 7.164 -11.109 -4.524 1.00 0.00 C ATOM 884 CD ARG A 57 8.514 -10.614 -4.832 1.00 0.00 C ATOM 885 NE ARG A 57 8.603 -9.275 -5.392 1.00 0.00 N ATOM 886 CZ ARG A 57 9.757 -8.597 -5.448 1.00 0.00 C ATOM 887 NH1 ARG A 57 10.818 -9.053 -4.771 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.846 -7.461 -6.138 1.00 0.00 N ATOM 0 H ARG A 57 4.611 -10.070 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 57 5.325 -12.082 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.351 -9.315 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.095 -10.387 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.226 -12.164 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.549 -11.041 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.104 -10.640 -3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.980 -11.308 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 57 7.757 -8.836 -5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.742 -9.908 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.702 -8.545 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.030 -7.099 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.730 -6.954 -6.173 1.00 0.00 H new ATOM 902 N CYS A 58 3.813 -9.541 -1.754 1.00 0.00 N ATOM 903 CA CYS A 58 3.198 -9.043 -0.523 1.00 0.00 C ATOM 904 C CYS A 58 1.722 -8.843 -0.729 1.00 0.00 C ATOM 905 O CYS A 58 1.293 -8.488 -1.819 1.00 0.00 O ATOM 906 CB CYS A 58 3.950 -7.810 0.002 1.00 0.00 C ATOM 907 SG CYS A 58 5.340 -8.277 1.103 1.00 0.00 S ATOM 0 H CYS A 58 3.612 -8.971 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 58 3.288 -9.785 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.331 -7.232 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.258 -7.166 0.544 1.00 0.00 H new ATOM 912 N ARG A 59 0.920 -9.070 0.313 1.00 0.00 N ATOM 913 CA ARG A 59 -0.495 -9.214 0.076 1.00 0.00 C ATOM 914 C ARG A 59 -1.365 -8.259 0.909 1.00 0.00 C ATOM 915 O ARG A 59 -1.113 -8.003 2.092 1.00 0.00 O ATOM 916 CB ARG A 59 -0.844 -10.667 0.368 1.00 0.00 C ATOM 917 CG ARG A 59 -0.090 -11.606 -0.561 1.00 0.00 C ATOM 918 CD ARG A 59 -0.337 -13.057 -0.268 1.00 0.00 C ATOM 919 NE ARG A 59 -1.706 -13.418 -0.530 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.144 -13.781 -1.732 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.330 -13.721 -2.771 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.392 -14.177 -1.904 1.00 0.00 N ATOM 0 H ARG A 59 1.219 -9.153 1.284 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.709 -8.945 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.601 -10.902 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.917 -10.818 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.379 -11.396 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.978 -11.403 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.326 -13.671 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.097 -13.266 0.775 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.371 -13.394 0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.370 -13.397 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.661 -13.998 -3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.032 -14.207 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.716 -14.453 -2.831 1.00 0.00 H new ATOM 936 N ARG A 60 -2.372 -7.740 0.215 1.00 0.00 N ATOM 937 CA ARG A 60 -3.361 -6.805 0.662 1.00 0.00 C ATOM 938 C ARG A 60 -4.675 -7.503 1.115 1.00 0.00 C ATOM 939 O ARG A 60 -5.036 -8.553 0.587 1.00 0.00 O ATOM 940 CB ARG A 60 -3.710 -6.018 -0.541 1.00 0.00 C ATOM 941 CG ARG A 60 -4.666 -4.899 -0.329 1.00 0.00 C ATOM 942 CD ARG A 60 -4.993 -4.275 -1.645 1.00 0.00 C ATOM 943 NE ARG A 60 -3.807 -3.845 -2.366 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.689 -3.909 -3.690 1.00 0.00 C ATOM 945 NH1 ARG A 60 -4.730 -4.296 -4.435 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.536 -3.590 -4.266 1.00 0.00 N ATOM 0 H ARG A 60 -2.517 -7.996 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.968 -6.232 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.792 -5.611 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.131 -6.694 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.574 -5.267 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.232 -4.157 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.546 -4.989 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.648 -3.418 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.023 -3.474 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.613 -4.542 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.641 -4.345 -5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.744 -3.297 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.442 -3.638 -5.281 1.00 0.00 H new ATOM 960 N LYS A 61 -5.357 -6.920 2.095 1.00 0.00 N ATOM 961 CA LYS A 61 -6.697 -7.344 2.473 1.00 0.00 C ATOM 962 C LYS A 61 -7.681 -6.228 2.119 1.00 0.00 C ATOM 963 O LYS A 61 -7.313 -5.065 2.107 1.00 0.00 O ATOM 964 CB LYS A 61 -6.784 -7.733 3.949 1.00 0.00 C ATOM 965 CG LYS A 61 -7.961 -8.660 4.287 1.00 0.00 C ATOM 966 CD LYS A 61 -9.307 -7.949 4.216 1.00 0.00 C ATOM 967 CE LYS A 61 -10.463 -8.874 4.511 1.00 0.00 C ATOM 968 NZ LYS A 61 -11.785 -8.167 4.463 1.00 0.00 N ATOM 0 H LYS A 61 -4.996 -6.142 2.647 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.956 -8.244 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.855 -8.223 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.867 -6.826 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.963 -9.504 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.822 -9.067 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.316 -7.123 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.435 -7.517 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.464 -9.691 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.327 -9.319 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.238 -8.213 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.637 -7.172 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.398 -8.625 3.759 1.00 0.00 H new ATOM 982 N SER A 62 -8.867 -6.586 1.695 1.00 0.00 N ATOM 983 CA SER A 62 -9.867 -5.590 1.327 1.00 0.00 C ATOM 984 C SER A 62 -10.415 -4.801 2.567 1.00 0.00 C ATOM 985 O SER A 62 -10.673 -5.379 3.618 1.00 0.00 O ATOM 986 CB SER A 62 -11.010 -6.260 0.557 1.00 0.00 C ATOM 987 OG SER A 62 -11.982 -5.320 0.156 1.00 0.00 O ATOM 0 H SER A 62 -9.172 -7.554 1.593 1.00 0.00 H new ATOM 0 HA SER A 62 -9.380 -4.856 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.610 -6.769 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.475 -7.022 1.183 1.00 0.00 H new ATOM 0 HG SER A 62 -12.697 -5.777 -0.334 1.00 0.00 H new ATOM 993 N CYS A 63 -10.626 -3.484 2.385 1.00 0.00 N ATOM 994 CA CYS A 63 -11.144 -2.562 3.448 1.00 0.00 C ATOM 995 C CYS A 63 -12.653 -2.591 3.576 1.00 0.00 C ATOM 996 O CYS A 63 -13.356 -3.052 2.682 1.00 0.00 O ATOM 997 CB CYS A 63 -10.692 -1.092 3.268 1.00 0.00 C ATOM 998 SG CYS A 63 -9.542 -0.447 4.544 1.00 0.00 S ATOM 0 H CYS A 63 -10.445 -3.014 1.498 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.700 -2.952 4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.214 -0.996 2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.579 -0.459 3.252 1.00 0.00 H new ATOM 1003 N ARG A 64 -13.140 -2.123 4.738 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.561 -2.099 5.027 1.00 0.00 C ATOM 1005 C ARG A 64 -14.893 -0.839 5.806 1.00 0.00 C ATOM 1006 O ARG A 64 -14.079 -0.377 6.612 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.953 -3.346 5.844 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.446 -3.385 7.312 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.928 -3.495 7.435 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.506 -3.580 8.845 1.00 0.00 N ATOM 1011 CZ ARG A 64 -12.114 -2.534 9.589 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -12.227 -1.288 9.114 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.655 -2.725 10.829 1.00 0.00 N ATOM 0 H ARG A 64 -12.555 -1.757 5.489 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.122 -2.104 4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.040 -3.423 5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.576 -4.228 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.779 -2.483 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.905 -4.231 7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.581 -4.377 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.460 -2.630 6.965 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.512 -4.499 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.612 -1.130 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.928 -0.496 9.683 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.602 -3.668 11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.358 -1.928 11.391 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.069 -0.301 5.586 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.512 0.910 6.289 1.00 0.00 C ATOM 1029 C ASN A 65 -18.029 0.846 6.627 1.00 0.00 C ATOM 1030 O ASN A 65 -18.883 1.266 5.866 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.096 2.188 5.476 1.00 0.00 C ATOM 1032 CG ASN A 65 -17.153 3.271 5.383 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.279 4.119 6.268 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -17.905 3.256 4.293 1.00 0.00 N ATOM 0 H ASN A 65 -16.750 -0.675 4.925 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.006 0.974 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.203 2.614 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.823 1.883 4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.625 3.967 4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.765 2.534 3.586 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.362 0.158 7.733 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.718 0.121 8.245 1.00 0.00 C ATOM 1043 C PRO A 66 -20.181 1.375 9.079 1.00 0.00 C ATOM 1044 O PRO A 66 -21.379 1.570 9.215 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.767 -1.148 9.095 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.355 -1.465 9.443 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.462 -0.743 8.467 1.00 0.00 C ATOM 0 HA PRO A 66 -20.415 0.131 7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.365 -0.993 9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.227 -1.969 8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.135 -1.153 10.464 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.183 -2.540 9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.680 -0.187 8.983 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.965 -1.441 7.793 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.270 2.222 9.702 1.00 0.00 N ATOM 1056 CA PRO A 67 -19.739 3.417 10.438 1.00 0.00 C ATOM 1057 C PRO A 67 -20.498 4.408 9.527 1.00 0.00 C ATOM 1058 O PRO A 67 -21.461 5.064 9.971 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.408 4.049 10.936 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.386 3.502 10.001 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.800 2.110 9.761 1.00 0.00 C ATOM 0 HA PRO A 67 -20.444 3.169 11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.443 5.138 10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.195 3.772 11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.356 4.071 9.072 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.388 3.548 10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.385 1.717 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.475 1.446 10.562 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.106 4.434 8.223 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.681 5.344 7.200 1.00 0.00 C ATOM 1071 C ASP A 68 -20.703 6.820 7.663 1.00 0.00 C ATOM 1072 O ASP A 68 -20.392 7.139 8.795 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.094 4.917 6.816 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.141 3.602 6.070 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -21.653 3.551 4.924 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -22.686 2.619 6.610 1.00 0.00 O ATOM 0 H ASP A 68 -19.379 3.821 7.854 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.028 5.272 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.699 4.836 7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.545 5.693 6.198 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.009 7.763 6.755 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.202 9.159 7.121 1.00 0.00 C ATOM 1083 C PRO A 69 -22.481 9.330 7.920 1.00 0.00 C ATOM 1084 O PRO A 69 -23.406 8.516 7.804 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.362 9.901 5.819 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.063 8.939 4.744 1.00 0.00 C ATOM 1087 CD PRO A 69 -21.174 7.556 5.307 1.00 0.00 C ATOM 0 HA PRO A 69 -20.368 9.520 7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.375 10.292 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.685 10.754 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.758 9.068 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.061 9.109 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.137 7.103 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.405 6.896 4.905 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.536 10.355 8.729 1.00 0.00 N ATOM 1096 CA VAL A 70 -23.738 10.644 9.476 1.00 0.00 C ATOM 1097 C VAL A 70 -24.900 10.938 8.516 1.00 0.00 C ATOM 1098 O VAL A 70 -26.000 10.433 8.688 1.00 0.00 O ATOM 1099 CB VAL A 70 -23.499 11.874 10.381 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -24.788 12.386 11.029 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -22.471 11.531 11.439 1.00 0.00 C ATOM 0 H VAL A 70 -21.766 11.004 8.889 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.991 9.778 10.088 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.126 12.682 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.563 13.250 11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -25.496 12.674 10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.224 11.598 11.643 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.302 12.398 12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -22.835 10.701 12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.535 11.247 10.958 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.640 11.753 7.513 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.636 12.089 6.494 1.00 0.00 C ATOM 1113 C ASN A 71 -25.369 11.440 5.102 1.00 0.00 C ATOM 1114 O ASN A 71 -25.949 11.848 4.102 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.855 13.607 6.402 1.00 0.00 C ATOM 1116 CG ASN A 71 -24.655 14.338 6.030 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -23.528 13.877 6.241 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -24.863 15.488 5.486 1.00 0.00 N ATOM 0 H ASN A 71 -23.736 12.205 7.374 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.569 11.639 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.638 13.811 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -26.213 13.975 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -24.074 16.069 5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -25.817 15.816 5.337 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.473 10.449 5.056 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.252 9.675 3.803 1.00 0.00 C ATOM 1127 C GLY A 72 -23.412 10.392 2.731 1.00 0.00 C ATOM 1128 O GLY A 72 -23.613 10.173 1.538 1.00 0.00 O ATOM 0 H GLY A 72 -23.895 10.159 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.762 8.735 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.222 9.424 3.374 1.00 0.00 H new ATOM 1132 N MET A 73 -22.502 11.266 3.143 1.00 0.00 N ATOM 1133 CA MET A 73 -21.777 12.101 2.179 1.00 0.00 C ATOM 1134 C MET A 73 -20.412 11.476 1.738 1.00 0.00 C ATOM 1135 O MET A 73 -19.627 12.145 1.087 1.00 0.00 O ATOM 1136 CB MET A 73 -21.493 13.421 2.827 1.00 0.00 C ATOM 1137 CG MET A 73 -22.736 14.071 3.367 1.00 0.00 C ATOM 1138 SD MET A 73 -22.444 15.679 4.111 1.00 0.00 S ATOM 1139 CE MET A 73 -23.051 16.735 2.875 1.00 0.00 C ATOM 0 H MET A 73 -22.248 11.418 4.119 1.00 0.00 H new ATOM 0 HA MET A 73 -22.401 12.197 1.291 1.00 0.00 H new ATOM 0 HB2 MET A 73 -20.779 13.279 3.638 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.024 14.086 2.102 1.00 0.00 H new ATOM 0 HG2 MET A 73 -23.459 14.180 2.559 1.00 0.00 H new ATOM 0 HG3 MET A 73 -23.186 13.413 4.110 1.00 0.00 H new ATOM 0 HE1 MET A 73 -22.937 17.771 3.194 1.00 0.00 H new ATOM 0 HE2 MET A 73 -22.492 16.575 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 73 -24.106 16.523 2.701 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.130 10.204 2.084 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.831 9.584 1.707 1.00 0.00 C ATOM 1151 C VAL A 74 -18.676 9.358 0.230 1.00 0.00 C ATOM 1152 O VAL A 74 -19.568 8.869 -0.451 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.468 8.252 2.500 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.276 7.533 1.858 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.057 8.599 3.915 1.00 0.00 C ATOM 0 H VAL A 74 -20.759 9.596 2.608 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.111 10.342 2.015 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.350 7.611 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.051 6.627 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.521 7.269 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.407 8.191 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.809 7.686 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.186 9.254 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -18.879 9.107 4.419 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.519 9.755 -0.254 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.146 9.576 -1.619 1.00 0.00 C ATOM 1167 C HIS A 75 -16.014 8.624 -1.653 1.00 0.00 C ATOM 1168 O HIS A 75 -15.157 8.639 -0.769 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.726 10.899 -2.253 1.00 0.00 C ATOM 1170 CG HIS A 75 -17.888 11.739 -2.705 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.571 11.537 -3.897 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -18.510 12.768 -2.101 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.552 12.404 -3.992 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.541 13.166 -2.919 1.00 0.00 N ATOM 0 H HIS A 75 -16.806 10.218 0.310 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.996 9.195 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.135 11.466 -1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.080 10.695 -3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.247 13.202 -1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.250 12.479 -4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.191 13.928 -2.726 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.979 7.806 -2.657 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.974 6.799 -2.717 1.00 0.00 C ATOM 1184 C VAL A 76 -14.158 6.898 -4.005 1.00 0.00 C ATOM 1185 O VAL A 76 -14.701 7.005 -5.094 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.644 5.413 -2.585 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.840 5.294 -3.526 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.662 4.300 -2.829 1.00 0.00 C ATOM 0 H VAL A 76 -16.632 7.817 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.276 6.943 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.003 5.319 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.294 4.310 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.574 6.062 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.507 5.425 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.168 3.340 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.252 4.390 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.853 4.362 -2.101 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.835 6.923 -3.842 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.928 7.041 -4.999 1.00 0.00 C ATOM 1200 C ILE A 77 -11.576 5.701 -5.669 1.00 0.00 C ATOM 1201 O ILE A 77 -11.742 5.532 -6.871 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.610 7.704 -4.565 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -10.858 9.105 -3.983 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.612 7.778 -5.727 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -9.606 9.693 -3.342 1.00 0.00 C ATOM 0 H ILE A 77 -12.367 6.865 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.472 7.641 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.176 7.080 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.205 9.769 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.654 9.052 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.691 8.252 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.392 6.771 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.042 8.364 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.831 10.683 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.273 9.044 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.817 9.773 -4.090 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.115 4.751 -4.871 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.608 3.471 -5.405 1.00 0.00 C ATOM 1219 C LYS A 78 -11.616 2.320 -5.355 1.00 0.00 C ATOM 1220 O LYS A 78 -11.333 1.231 -5.839 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.281 3.087 -4.769 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.157 4.097 -5.002 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.775 4.205 -6.489 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.655 5.220 -6.699 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.220 5.334 -8.131 1.00 0.00 N ATOM 0 H LYS A 78 -11.076 4.829 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.439 3.651 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.427 2.965 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.970 2.118 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.468 5.076 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.281 3.804 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.459 3.229 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.649 4.498 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.989 6.197 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.798 4.937 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.458 6.038 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.873 4.411 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.027 5.632 -8.716 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.789 2.570 -4.814 1.00 0.00 N ATOM 1240 CA GLY A 79 -13.773 1.503 -4.671 1.00 0.00 C ATOM 1241 C GLY A 79 -13.713 0.767 -3.323 1.00 0.00 C ATOM 1242 O GLY A 79 -14.247 -0.333 -3.192 1.00 0.00 O ATOM 0 H GLY A 79 -13.087 3.483 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.770 1.924 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.628 0.780 -5.474 1.00 0.00 H new ATOM 1246 N ILE A 80 -13.104 1.419 -2.326 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.981 0.873 -0.957 1.00 0.00 C ATOM 1248 C ILE A 80 -12.098 -0.359 -0.877 1.00 0.00 C ATOM 1249 O ILE A 80 -12.557 -1.489 -1.030 1.00 0.00 O ATOM 1250 CB ILE A 80 -14.380 0.530 -0.321 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.249 1.782 -0.159 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -14.216 -0.164 1.025 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.677 2.802 0.804 1.00 0.00 C ATOM 0 H ILE A 80 -12.681 2.340 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.508 1.674 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.884 -0.150 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.380 2.251 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -16.239 1.484 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -15.198 -0.389 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.658 -1.091 0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.674 0.490 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.347 3.659 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.572 2.351 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.700 3.130 0.449 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.816 -0.120 -0.681 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.917 -1.197 -0.345 1.00 0.00 C ATOM 1267 C GLN A 81 -8.610 -0.545 0.155 1.00 0.00 C ATOM 1268 O GLN A 81 -8.560 0.659 0.367 1.00 0.00 O ATOM 1269 CB GLN A 81 -9.613 -2.089 -1.562 1.00 0.00 C ATOM 1270 CG GLN A 81 -9.037 -3.426 -1.153 1.00 0.00 C ATOM 1271 CD GLN A 81 -8.676 -4.361 -2.260 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -7.860 -5.314 -1.905 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -9.136 -4.260 -3.390 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.381 0.800 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.373 -1.835 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.528 -2.248 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.911 -1.578 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.144 -3.245 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.758 -3.925 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.771 -3.494 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.884 -4.941 -4.106 1.00 0.00 H new ATOM 1282 N PHE A 82 -7.568 -1.326 0.330 1.00 0.00 N ATOM 1283 CA PHE A 82 -6.276 -0.795 0.659 1.00 0.00 C ATOM 1284 C PHE A 82 -5.756 0.079 -0.468 1.00 0.00 C ATOM 1285 O PHE A 82 -5.791 -0.291 -1.641 1.00 0.00 O ATOM 1286 CB PHE A 82 -5.298 -1.926 0.987 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.882 -1.449 1.108 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.509 -0.558 2.098 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.926 -1.892 0.219 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.202 -0.109 2.186 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.627 -1.453 0.305 1.00 0.00 C ATOM 1292 CZ PHE A 82 -1.264 -0.557 1.285 1.00 0.00 C ATOM 0 H PHE A 82 -7.598 -2.342 0.247 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.371 -0.170 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.598 -2.401 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.355 -2.688 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.244 -0.209 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.202 -2.593 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.920 0.590 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.889 -1.812 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.244 -0.206 1.346 1.00 0.00 H new ATOM 1302 N GLY A 83 -5.311 1.252 -0.080 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.858 2.261 -1.004 1.00 0.00 C ATOM 1304 C GLY A 83 -5.965 3.250 -1.315 1.00 0.00 C ATOM 1305 O GLY A 83 -5.724 4.288 -1.926 1.00 0.00 O ATOM 0 H GLY A 83 -5.254 1.534 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.003 2.788 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.518 1.789 -1.926 1.00 0.00 H new ATOM 1309 N SER A 84 -7.184 2.916 -0.905 1.00 0.00 N ATOM 1310 CA SER A 84 -8.309 3.806 -1.093 1.00 0.00 C ATOM 1311 C SER A 84 -8.291 4.972 -0.141 1.00 0.00 C ATOM 1312 O SER A 84 -7.856 4.862 1.002 1.00 0.00 O ATOM 1313 CB SER A 84 -9.640 3.067 -0.977 1.00 0.00 C ATOM 1314 OG SER A 84 -9.780 2.103 -2.004 1.00 0.00 O ATOM 0 H SER A 84 -7.411 2.036 -0.442 1.00 0.00 H new ATOM 0 HA SER A 84 -8.210 4.198 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.705 2.579 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.462 3.781 -1.030 1.00 0.00 H new ATOM 0 HG SER A 84 -9.052 1.450 -1.941 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.762 6.076 -0.619 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.994 7.216 0.198 1.00 0.00 C ATOM 1322 C GLN A 85 -10.397 7.700 -0.055 1.00 0.00 C ATOM 1323 O GLN A 85 -10.848 7.749 -1.197 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.964 8.308 -0.042 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.223 9.531 0.789 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.163 10.604 0.602 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.734 10.882 -0.517 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -6.726 11.198 1.701 1.00 0.00 N ATOM 0 H GLN A 85 -8.999 6.211 -1.602 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.888 6.939 1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.970 7.922 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.967 8.581 -1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.199 9.941 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.266 9.248 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.110 10.936 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.005 11.917 1.640 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.095 8.008 0.986 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.482 8.416 0.881 1.00 0.00 C ATOM 1339 C ILE A 86 -12.723 9.722 1.591 1.00 0.00 C ATOM 1340 O ILE A 86 -11.954 10.104 2.436 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.400 7.327 1.454 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.059 7.094 2.934 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.294 6.045 0.647 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.984 6.158 3.631 1.00 0.00 C ATOM 0 H ILE A 86 -10.733 7.989 1.939 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.711 8.558 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.435 7.660 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.044 6.704 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.070 8.052 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.954 5.290 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.585 6.240 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.266 5.683 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.675 6.047 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.999 6.555 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.957 5.186 3.139 1.00 0.00 H new ATOM 1356 N LYS A 87 -13.804 10.405 1.233 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.111 11.700 1.840 1.00 0.00 C ATOM 1358 C LYS A 87 -15.263 11.632 2.758 1.00 0.00 C ATOM 1359 O LYS A 87 -16.273 10.985 2.472 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.460 12.739 0.776 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.287 13.211 -0.104 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.649 12.078 -0.912 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.596 12.581 -1.887 1.00 0.00 C ATOM 1364 NZ LYS A 87 -12.109 12.664 -3.284 1.00 0.00 N ATOM 0 H LYS A 87 -14.477 10.091 0.534 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.213 11.982 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.232 12.324 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.892 13.609 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.641 13.982 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.528 13.670 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.194 11.360 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.425 11.547 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.252 13.566 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.732 11.917 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.355 13.012 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.413 11.721 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.917 13.318 -3.319 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.126 12.341 3.831 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.163 12.547 4.771 1.00 0.00 C ATOM 1380 C TYR A 88 -16.571 13.980 4.810 1.00 0.00 C ATOM 1381 O TYR A 88 -15.746 14.882 4.940 1.00 0.00 O ATOM 1382 CB TYR A 88 -15.737 12.074 6.168 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.708 10.579 6.320 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -14.597 9.823 5.970 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -16.823 9.922 6.831 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -14.603 8.441 6.134 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -16.834 8.553 6.996 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.727 7.816 6.653 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.739 6.446 6.824 1.00 0.00 O ATOM 0 H TYR A 88 -14.254 12.807 4.080 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.022 11.955 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.747 12.472 6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.421 12.492 6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -13.722 10.311 5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -17.697 10.495 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.737 7.858 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.710 8.062 7.394 1.00 0.00 H new ATOM 0 HH TYR A 88 -16.543 6.071 6.407 1.00 0.00 H new ATOM 1399 N SER A 89 -17.826 14.177 4.683 1.00 0.00 N ATOM 1400 CA SER A 89 -18.406 15.461 4.902 1.00 0.00 C ATOM 1401 C SER A 89 -19.720 15.280 5.657 1.00 0.00 C ATOM 1402 O SER A 89 -20.412 14.284 5.479 1.00 0.00 O ATOM 1403 CB SER A 89 -18.606 16.188 3.574 1.00 0.00 C ATOM 1404 OG SER A 89 -18.942 17.559 3.780 1.00 0.00 O ATOM 0 H SER A 89 -18.494 13.451 4.422 1.00 0.00 H new ATOM 0 HA SER A 89 -17.740 16.079 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.695 16.120 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.396 15.699 3.005 1.00 0.00 H new ATOM 0 HG SER A 89 -19.062 18.000 2.913 1.00 0.00 H new ATOM 1410 N CYS A 90 -19.973 16.157 6.585 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.218 16.150 7.394 1.00 0.00 C ATOM 1412 C CYS A 90 -22.294 17.126 6.908 1.00 0.00 C ATOM 1413 O CYS A 90 -23.472 16.898 7.076 1.00 0.00 O ATOM 1414 CB CYS A 90 -20.851 16.474 8.824 1.00 0.00 C ATOM 1415 SG CYS A 90 -19.559 15.420 9.512 1.00 0.00 S ATOM 0 H CYS A 90 -19.334 16.915 6.825 1.00 0.00 H new ATOM 0 HA CYS A 90 -21.657 15.157 7.297 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -20.524 17.512 8.877 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -21.743 16.389 9.445 1.00 0.00 H new ATOM 1420 N THR A 91 -21.859 18.254 6.461 1.00 0.00 N ATOM 1421 CA THR A 91 -22.747 19.366 6.174 1.00 0.00 C ATOM 1422 C THR A 91 -22.125 20.299 5.116 1.00 0.00 C ATOM 1423 O THR A 91 -20.930 20.227 4.867 1.00 0.00 O ATOM 1424 CB THR A 91 -22.942 20.112 7.508 1.00 0.00 C ATOM 1425 OG1 THR A 91 -23.553 19.249 8.474 1.00 0.00 O ATOM 1426 CG2 THR A 91 -23.726 21.389 7.402 1.00 0.00 C ATOM 0 H THR A 91 -20.874 18.448 6.278 1.00 0.00 H new ATOM 0 HA THR A 91 -23.698 19.020 5.770 1.00 0.00 H new ATOM 0 HB THR A 91 -21.940 20.400 7.827 1.00 0.00 H new ATOM 0 HG1 THR A 91 -23.670 19.734 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 91 -23.813 21.845 8.388 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.213 22.076 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 91 -24.721 21.174 7.012 1.00 0.00 H new ATOM 1434 N LYS A 92 -22.939 21.153 4.487 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.421 22.195 3.631 1.00 0.00 C ATOM 1436 C LYS A 92 -21.549 23.209 4.374 1.00 0.00 C ATOM 1437 O LYS A 92 -20.460 23.561 3.912 1.00 0.00 O ATOM 1438 CB LYS A 92 -23.565 22.898 2.889 1.00 0.00 C ATOM 1439 CG LYS A 92 -23.084 24.025 2.010 1.00 0.00 C ATOM 1440 CD LYS A 92 -22.164 23.539 0.930 1.00 0.00 C ATOM 1441 CE LYS A 92 -21.780 24.681 0.035 1.00 0.00 C ATOM 1442 NZ LYS A 92 -20.838 24.282 -1.037 1.00 0.00 N ATOM 0 H LYS A 92 -23.956 21.133 4.562 1.00 0.00 H new ATOM 0 HA LYS A 92 -21.769 21.708 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -24.098 22.169 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -24.278 23.288 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.941 24.525 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -22.568 24.766 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.272 23.096 1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -22.653 22.758 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.679 25.101 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -21.326 25.470 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.608 25.110 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.967 23.907 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.277 23.549 -1.630 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.030 23.666 5.512 1.00 0.00 N ATOM 1457 CA GLY A 93 -21.294 24.640 6.287 1.00 0.00 C ATOM 1458 C GLY A 93 -21.027 24.151 7.693 1.00 0.00 C ATOM 1459 O GLY A 93 -21.778 24.468 8.608 1.00 0.00 O ATOM 0 H GLY A 93 -22.921 23.380 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -20.348 24.859 5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -21.856 25.573 6.327 1.00 0.00 H new ATOM 1463 N TYR A 94 -19.982 23.355 7.862 1.00 0.00 N ATOM 1464 CA TYR A 94 -19.645 22.791 9.175 1.00 0.00 C ATOM 1465 C TYR A 94 -18.129 22.542 9.210 1.00 0.00 C ATOM 1466 O TYR A 94 -17.473 22.620 8.167 1.00 0.00 O ATOM 1467 CB TYR A 94 -20.361 21.461 9.383 1.00 0.00 C ATOM 1468 CG TYR A 94 -19.624 20.313 8.775 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -19.375 20.254 7.417 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -19.069 19.346 9.587 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.609 19.244 6.887 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.284 18.347 9.066 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.061 18.298 7.712 1.00 0.00 C ATOM 1474 OH TYR A 94 -17.270 17.313 7.178 1.00 0.00 O ATOM 0 H TYR A 94 -19.348 23.081 7.111 1.00 0.00 H new ATOM 0 HA TYR A 94 -19.951 23.484 9.959 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -20.487 21.283 10.451 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -21.359 21.518 8.950 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -19.787 21.010 6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -19.255 19.375 10.650 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.439 19.196 5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.845 17.605 9.717 1.00 0.00 H new ATOM 0 HH TYR A 94 -16.499 17.719 6.731 1.00 0.00 H new ATOM 1484 N ARG A 95 -17.566 22.293 10.378 1.00 0.00 N ATOM 1485 CA ARG A 95 -16.156 21.967 10.450 1.00 0.00 C ATOM 1486 C ARG A 95 -16.022 20.495 10.675 1.00 0.00 C ATOM 1487 O ARG A 95 -16.786 19.908 11.427 1.00 0.00 O ATOM 1488 CB ARG A 95 -15.479 22.641 11.635 1.00 0.00 C ATOM 1489 CG ARG A 95 -15.471 24.107 11.562 1.00 0.00 C ATOM 1490 CD ARG A 95 -14.786 24.748 12.763 1.00 0.00 C ATOM 1491 NE ARG A 95 -14.830 26.225 12.671 1.00 0.00 N ATOM 1492 CZ ARG A 95 -13.885 26.992 12.113 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -12.706 26.487 11.781 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -14.110 28.288 11.929 1.00 0.00 N ATOM 0 H ARG A 95 -18.053 22.310 11.274 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.693 22.301 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -15.984 22.336 12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.451 22.285 11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -14.964 24.419 10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -16.497 24.470 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -15.274 24.422 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.750 24.414 12.817 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.645 26.696 13.064 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.508 25.501 11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.996 27.084 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.001 28.696 12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.392 28.875 11.504 1.00 0.00 H new ATOM 1508 N LEU A 96 -15.121 19.873 10.035 1.00 0.00 N ATOM 1509 CA LEU A 96 -14.816 18.543 10.474 1.00 0.00 C ATOM 1510 C LEU A 96 -13.560 18.603 11.326 1.00 0.00 C ATOM 1511 O LEU A 96 -12.481 18.931 10.848 1.00 0.00 O ATOM 1512 CB LEU A 96 -14.603 17.618 9.292 1.00 0.00 C ATOM 1513 CG LEU A 96 -14.436 16.159 9.667 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -15.650 15.659 10.367 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.184 15.325 8.474 1.00 0.00 C ATOM 0 H LEU A 96 -14.591 20.226 9.238 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.650 18.148 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.451 17.712 8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.719 17.944 8.744 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.576 16.088 10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.513 14.610 10.629 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.813 16.241 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.515 15.759 9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.069 14.284 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.024 15.412 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.273 15.663 7.980 1.00 0.00 H new ATOM 1527 N ILE A 97 -13.735 18.279 12.605 1.00 0.00 N ATOM 1528 CA ILE A 97 -12.653 18.329 13.581 1.00 0.00 C ATOM 1529 C ILE A 97 -11.565 17.297 13.272 1.00 0.00 C ATOM 1530 O ILE A 97 -10.375 17.589 13.334 1.00 0.00 O ATOM 1531 CB ILE A 97 -13.193 18.150 15.041 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -14.305 19.182 15.356 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -12.073 18.279 16.054 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -13.866 20.645 15.255 1.00 0.00 C ATOM 0 H ILE A 97 -14.629 17.975 12.992 1.00 0.00 H new ATOM 0 HA ILE A 97 -12.201 19.318 13.508 1.00 0.00 H new ATOM 0 HB ILE A 97 -13.617 17.148 15.111 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -15.138 19.019 14.672 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -14.679 18.997 16.363 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.475 18.151 17.059 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.320 17.514 15.864 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.617 19.265 15.969 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -14.708 21.295 15.492 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -13.055 20.831 15.959 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -13.522 20.852 14.242 1.00 0.00 H new ATOM 1546 N GLY A 98 -11.986 16.082 12.942 1.00 0.00 N ATOM 1547 CA GLY A 98 -11.033 15.058 12.630 1.00 0.00 C ATOM 1548 C GLY A 98 -10.603 15.028 11.187 1.00 0.00 C ATOM 1549 O GLY A 98 -10.407 16.069 10.553 1.00 0.00 O ATOM 0 H GLY A 98 -12.964 15.798 12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.152 15.196 13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.460 14.089 12.889 1.00 0.00 H new ATOM 1553 N SER A 99 -10.510 13.829 10.646 1.00 0.00 N ATOM 1554 CA SER A 99 -9.975 13.644 9.329 1.00 0.00 C ATOM 1555 C SER A 99 -11.097 13.434 8.298 1.00 0.00 C ATOM 1556 O SER A 99 -11.853 12.464 8.362 1.00 0.00 O ATOM 1557 CB SER A 99 -9.060 12.405 9.365 1.00 0.00 C ATOM 1558 OG SER A 99 -7.960 12.586 10.265 1.00 0.00 O ATOM 0 H SER A 99 -10.803 12.969 11.109 1.00 0.00 H new ATOM 0 HA SER A 99 -9.418 14.532 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.639 11.533 9.669 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.681 12.203 8.363 1.00 0.00 H new ATOM 0 HG SER A 99 -7.401 11.781 10.265 1.00 0.00 H new ATOM 1564 N SER A 100 -11.186 14.380 7.363 1.00 0.00 N ATOM 1565 CA SER A 100 -12.140 14.340 6.271 1.00 0.00 C ATOM 1566 C SER A 100 -11.933 13.154 5.361 1.00 0.00 C ATOM 1567 O SER A 100 -12.872 12.508 4.987 1.00 0.00 O ATOM 1568 CB SER A 100 -12.112 15.647 5.481 1.00 0.00 C ATOM 1569 OG SER A 100 -13.064 15.642 4.441 1.00 0.00 O ATOM 0 H SER A 100 -10.586 15.205 7.349 1.00 0.00 H new ATOM 0 HA SER A 100 -13.127 14.222 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.309 16.483 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.117 15.800 5.064 1.00 0.00 H new ATOM 0 HG SER A 100 -13.932 15.353 4.793 1.00 0.00 H new ATOM 1575 N SER A 101 -10.713 12.854 5.009 1.00 0.00 N ATOM 1576 CA SER A 101 -10.527 11.765 4.094 1.00 0.00 C ATOM 1577 C SER A 101 -9.790 10.632 4.780 1.00 0.00 C ATOM 1578 O SER A 101 -8.616 10.751 5.126 1.00 0.00 O ATOM 1579 CB SER A 101 -9.762 12.256 2.842 1.00 0.00 C ATOM 1580 OG SER A 101 -10.355 13.440 2.296 1.00 0.00 O ATOM 0 H SER A 101 -9.866 13.326 5.326 1.00 0.00 H new ATOM 0 HA SER A 101 -11.499 11.389 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.723 12.456 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.755 11.470 2.087 1.00 0.00 H new ATOM 0 HG SER A 101 -9.848 13.726 1.508 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.494 9.539 4.989 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.927 8.334 5.560 1.00 0.00 C ATOM 1588 C ALA A 102 -9.056 7.635 4.538 1.00 0.00 C ATOM 1589 O ALA A 102 -9.382 7.621 3.353 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.030 7.402 6.047 1.00 0.00 C ATOM 0 H ALA A 102 -11.486 9.461 4.765 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.311 8.610 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.585 6.503 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.624 7.908 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.671 7.128 5.209 1.00 0.00 H new ATOM 1596 N THR A 103 -7.972 7.047 4.978 1.00 0.00 N ATOM 1597 CA THR A 103 -7.100 6.318 4.088 1.00 0.00 C ATOM 1598 C THR A 103 -6.928 4.869 4.558 1.00 0.00 C ATOM 1599 O THR A 103 -6.725 4.623 5.730 1.00 0.00 O ATOM 1600 CB THR A 103 -5.734 7.012 3.952 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.935 8.347 3.453 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.855 6.251 2.971 1.00 0.00 C ATOM 0 H THR A 103 -7.670 7.059 5.952 1.00 0.00 H new ATOM 0 HA THR A 103 -7.567 6.305 3.103 1.00 0.00 H new ATOM 0 HB THR A 103 -5.248 7.038 4.927 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.069 8.797 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.891 6.751 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.704 5.233 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.340 6.222 1.995 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.100 3.921 3.655 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.927 2.508 4.009 1.00 0.00 C ATOM 1612 C CYS A 104 -5.473 2.089 3.979 1.00 0.00 C ATOM 1613 O CYS A 104 -4.773 2.272 2.976 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.749 1.598 3.095 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.774 -0.172 3.605 1.00 0.00 S ATOM 0 H CYS A 104 -7.356 4.091 2.682 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.290 2.399 5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.774 1.968 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.352 1.666 2.082 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.033 1.532 5.096 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.679 1.037 5.282 1.00 0.00 C ATOM 1622 C ILE A 105 -3.723 -0.395 5.816 1.00 0.00 C ATOM 1623 O ILE A 105 -4.762 -0.833 6.317 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.833 1.948 6.226 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.413 2.017 7.666 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.656 3.340 5.627 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.657 2.895 7.839 1.00 0.00 C ATOM 0 H ILE A 105 -5.623 1.409 5.919 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.187 1.052 4.310 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.849 1.488 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.657 1.005 7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.635 2.385 8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.063 3.955 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.145 3.261 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.633 3.800 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.977 2.871 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.421 3.921 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.459 2.519 7.204 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.634 -1.133 5.729 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.694 -2.496 6.213 1.00 0.00 C ATOM 1641 C ILE A 106 -2.143 -2.501 7.641 1.00 0.00 C ATOM 1642 O ILE A 106 -1.013 -2.072 7.871 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.774 -3.488 5.435 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.848 -3.347 3.897 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -2.215 -4.904 5.814 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -3.163 -3.609 3.294 1.00 0.00 C ATOM 0 H ILE A 106 -1.738 -0.831 5.347 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.732 -2.813 6.108 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.743 -3.267 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.541 -2.336 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.123 -4.029 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.595 -5.631 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.106 -5.043 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.258 -5.048 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.100 -3.481 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.471 -4.630 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.895 -2.910 3.699 1.00 0.00 H new ATOM 1658 N SER A 107 -2.952 -2.951 8.604 1.00 0.00 N ATOM 1659 CA SER A 107 -2.491 -3.050 9.986 1.00 0.00 C ATOM 1660 C SER A 107 -1.418 -4.104 10.095 1.00 0.00 C ATOM 1661 O SER A 107 -0.495 -4.007 10.901 1.00 0.00 O ATOM 1662 CB SER A 107 -3.649 -3.322 10.954 1.00 0.00 C ATOM 1663 OG SER A 107 -4.315 -4.512 10.628 1.00 0.00 O ATOM 0 H SER A 107 -3.916 -3.248 8.453 1.00 0.00 H new ATOM 0 HA SER A 107 -2.064 -2.089 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.267 -3.383 11.973 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.352 -2.490 10.927 1.00 0.00 H new ATOM 0 HG SER A 107 -4.379 -4.594 9.654 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.578 -5.124 9.273 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.679 -6.232 9.229 1.00 0.00 C ATOM 1671 C GLY A 108 -1.310 -7.376 8.487 1.00 0.00 C ATOM 1672 O GLY A 108 -0.961 -7.658 7.347 1.00 0.00 O ATOM 0 H GLY A 108 -2.352 -5.195 8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.250 -5.938 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.421 -6.542 10.242 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.235 -8.054 9.140 1.00 0.00 N ATOM 1677 CA ASP A 109 -2.932 -9.171 8.494 1.00 0.00 C ATOM 1678 C ASP A 109 -4.348 -8.745 8.047 1.00 0.00 C ATOM 1679 O ASP A 109 -5.119 -9.538 7.488 1.00 0.00 O ATOM 1680 CB ASP A 109 -2.981 -10.382 9.415 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.429 -11.629 8.692 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.698 -12.088 7.788 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -4.490 -12.170 9.032 1.00 0.00 O ATOM 0 H ASP A 109 -2.524 -7.863 10.099 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.374 -9.456 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.994 -10.549 9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.661 -10.180 10.243 1.00 0.00 H new ATOM 1688 N THR A 110 -4.689 -7.485 8.324 1.00 0.00 N ATOM 1689 CA THR A 110 -5.998 -6.949 7.985 1.00 0.00 C ATOM 1690 C THR A 110 -5.874 -5.455 7.665 1.00 0.00 C ATOM 1691 O THR A 110 -4.843 -4.843 7.953 1.00 0.00 O ATOM 1692 CB THR A 110 -7.046 -7.185 9.111 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.364 -6.877 8.631 1.00 0.00 O ATOM 1694 CG2 THR A 110 -6.775 -6.305 10.311 1.00 0.00 C ATOM 0 H THR A 110 -4.070 -6.818 8.785 1.00 0.00 H new ATOM 0 HA THR A 110 -6.359 -7.483 7.106 1.00 0.00 H new ATOM 0 HB THR A 110 -6.974 -8.233 9.403 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.017 -7.030 9.346 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.525 -6.495 11.078 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.785 -6.527 10.709 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.819 -5.258 10.012 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.899 -4.869 7.070 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.824 -3.477 6.646 1.00 0.00 C ATOM 1704 C VAL A 111 -7.869 -2.613 7.340 1.00 0.00 C ATOM 1705 O VAL A 111 -9.049 -2.972 7.441 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.988 -3.354 5.136 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.926 -4.141 4.458 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.339 -3.833 4.703 1.00 0.00 C ATOM 0 H VAL A 111 -7.787 -5.329 6.870 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.835 -3.117 6.932 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.898 -2.304 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.042 -4.054 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.948 -3.759 4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.008 -5.188 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.430 -3.735 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.461 -4.879 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.110 -3.234 5.188 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.408 -1.498 7.850 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.242 -0.561 8.567 1.00 0.00 C ATOM 1720 C ILE A 112 -8.053 0.841 8.001 1.00 0.00 C ATOM 1721 O ILE A 112 -7.100 1.090 7.267 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.947 -0.585 10.084 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.499 -0.182 10.357 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.223 -1.983 10.639 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.194 -0.028 11.830 1.00 0.00 C ATOM 0 H ILE A 112 -6.432 -1.211 7.779 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.282 -0.860 8.434 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.599 0.133 10.581 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.833 -0.932 9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.288 0.758 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.014 -1.998 11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.268 -2.242 10.470 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.583 -2.707 10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.150 0.259 11.957 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.837 0.742 12.256 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.375 -0.974 12.340 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.978 1.730 8.299 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.888 3.105 7.825 1.00 0.00 C ATOM 1739 C TRP A 113 -8.090 3.958 8.823 1.00 0.00 C ATOM 1740 O TRP A 113 -8.099 3.695 10.022 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.282 3.719 7.661 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.120 3.104 6.565 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.140 2.197 6.714 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.028 3.365 5.152 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.671 1.885 5.496 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -12.009 2.584 4.521 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.210 4.176 4.368 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -12.195 2.599 3.135 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.397 4.188 2.995 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.377 3.401 2.398 1.00 0.00 C ATOM 0 H TRP A 113 -9.802 1.530 8.866 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.384 3.091 6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.818 3.625 8.605 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.173 4.785 7.461 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.473 1.790 7.657 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.440 1.234 5.337 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.443 4.785 4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.959 1.997 2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.773 4.818 2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.492 3.427 1.324 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.378 4.939 8.291 1.00 0.00 N ATOM 1762 CA ASP A 114 -6.553 5.879 9.079 1.00 0.00 C ATOM 1763 C ASP A 114 -7.386 6.722 10.037 1.00 0.00 C ATOM 1764 O ASP A 114 -6.937 7.044 11.133 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.777 6.837 8.163 1.00 0.00 C ATOM 1766 CG ASP A 114 -4.467 6.278 7.635 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -3.576 5.957 8.472 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -4.302 6.186 6.406 1.00 0.00 O ATOM 0 H ASP A 114 -7.348 5.118 7.287 1.00 0.00 H new ATOM 0 HA ASP A 114 -5.865 5.258 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.411 7.105 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.571 7.757 8.711 1.00 0.00 H new ATOM 1773 N GLN A 115 -8.599 7.088 9.617 1.00 0.00 N ATOM 1774 CA GLN A 115 -9.415 8.031 10.370 1.00 0.00 C ATOM 1775 C GLN A 115 -9.678 7.574 11.803 1.00 0.00 C ATOM 1776 O GLN A 115 -9.966 6.412 12.071 1.00 0.00 O ATOM 1777 CB GLN A 115 -10.737 8.262 9.659 1.00 0.00 C ATOM 1778 CG GLN A 115 -11.647 9.235 10.364 1.00 0.00 C ATOM 1779 CD GLN A 115 -12.870 9.559 9.555 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -12.873 9.390 8.359 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -13.916 10.027 10.214 1.00 0.00 N ATOM 0 H GLN A 115 -9.033 6.744 8.761 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.850 8.961 10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -10.538 8.630 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.253 7.308 9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -11.949 8.816 11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.100 10.154 10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.867 10.153 11.225 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -14.772 10.262 9.712 1.00 0.00 H new ATOM 1790 N GLU A 116 -9.592 8.549 12.693 1.00 0.00 N ATOM 1791 CA GLU A 116 -9.716 8.362 14.143 1.00 0.00 C ATOM 1792 C GLU A 116 -11.098 7.853 14.542 1.00 0.00 C ATOM 1793 O GLU A 116 -11.224 6.953 15.373 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.537 9.735 14.809 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.162 10.353 14.659 1.00 0.00 C ATOM 1796 CD GLU A 116 -7.088 9.557 15.346 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -7.422 8.757 16.253 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -5.909 9.731 15.003 1.00 0.00 O ATOM 0 H GLU A 116 -9.430 9.520 12.428 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.968 7.633 14.454 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.273 10.422 14.392 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.759 9.637 15.872 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.922 10.441 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.176 11.364 15.067 1.00 0.00 H new ATOM 1805 N THR A 117 -12.123 8.422 13.925 1.00 0.00 N ATOM 1806 CA THR A 117 -13.509 8.124 14.246 1.00 0.00 C ATOM 1807 C THR A 117 -14.383 9.142 13.493 1.00 0.00 C ATOM 1808 O THR A 117 -13.869 10.215 13.125 1.00 0.00 O ATOM 1809 CB THR A 117 -13.752 8.248 15.802 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.024 7.702 16.165 1.00 0.00 O ATOM 1811 CG2 THR A 117 -13.678 9.700 16.262 1.00 0.00 C ATOM 0 H THR A 117 -12.014 9.110 13.180 1.00 0.00 H new ATOM 0 HA THR A 117 -13.759 7.105 13.950 1.00 0.00 H new ATOM 0 HB THR A 117 -12.962 7.682 16.296 1.00 0.00 H new ATOM 0 HG1 THR A 117 -15.153 7.788 17.133 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.850 9.750 17.337 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.692 10.105 16.033 1.00 0.00 H new ATOM 0 HG23 THR A 117 -14.439 10.285 15.745 1.00 0.00 H new ATOM 1819 N PRO A 118 -15.660 8.828 13.160 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.517 9.821 12.505 1.00 0.00 C ATOM 1821 C PRO A 118 -16.714 11.028 13.430 1.00 0.00 C ATOM 1822 O PRO A 118 -16.880 10.869 14.641 1.00 0.00 O ATOM 1823 CB PRO A 118 -17.842 9.052 12.293 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.480 7.599 12.434 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.340 7.551 13.397 1.00 0.00 C ATOM 0 HA PRO A 118 -16.109 10.216 11.575 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.590 9.345 13.030 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.265 9.259 11.310 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.327 7.020 12.802 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.196 7.172 11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -16.684 7.461 14.427 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.684 6.702 13.205 1.00 0.00 H new ATOM 1833 N ILE A 119 -16.714 12.226 12.854 1.00 0.00 N ATOM 1834 CA ILE A 119 -16.830 13.473 13.626 1.00 0.00 C ATOM 1835 C ILE A 119 -17.672 14.468 12.858 1.00 0.00 C ATOM 1836 O ILE A 119 -17.717 14.370 11.649 1.00 0.00 O ATOM 1837 CB ILE A 119 -15.426 14.046 13.765 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -14.573 13.076 14.554 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -15.467 15.384 14.485 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -13.133 13.344 14.489 1.00 0.00 C ATOM 0 H ILE A 119 -16.635 12.367 11.847 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.288 13.281 14.596 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.002 14.196 12.772 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -14.888 13.100 15.597 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -14.759 12.066 14.188 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.455 15.779 14.576 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.081 16.084 13.918 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.895 15.250 15.479 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.598 12.602 15.082 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.799 13.290 13.453 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.930 14.339 14.884 1.00 0.00 H new ATOM 1852 N CYS A 120 -18.388 15.372 13.539 1.00 0.00 N ATOM 1853 CA CYS A 120 -19.048 16.473 12.828 1.00 0.00 C ATOM 1854 C CYS A 120 -19.159 17.718 13.764 1.00 0.00 C ATOM 1855 O CYS A 120 -19.920 17.691 14.718 1.00 0.00 O ATOM 1856 CB CYS A 120 -20.460 16.039 12.317 1.00 0.00 C ATOM 1857 SG CYS A 120 -20.420 14.611 11.144 1.00 0.00 S ATOM 0 H CYS A 120 -18.523 15.366 14.550 1.00 0.00 H new ATOM 0 HA CYS A 120 -18.446 16.738 11.959 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -21.082 15.777 13.173 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -20.935 16.888 11.826 1.00 0.00 H new ATOM 1862 N ASP A 121 -18.384 18.822 13.476 1.00 0.00 N ATOM 1863 CA ASP A 121 -18.440 20.064 14.308 1.00 0.00 C ATOM 1864 C ASP A 121 -19.796 20.720 14.268 1.00 0.00 C ATOM 1865 O ASP A 121 -20.332 21.147 15.311 1.00 0.00 O ATOM 1866 CB ASP A 121 -17.408 21.080 13.836 1.00 0.00 C ATOM 1867 CG ASP A 121 -17.447 22.377 14.610 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -17.306 22.352 15.855 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -17.604 23.431 13.969 1.00 0.00 O ATOM 0 H ASP A 121 -17.732 18.870 12.693 1.00 0.00 H new ATOM 0 HA ASP A 121 -18.228 19.752 15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -16.413 20.643 13.922 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -17.573 21.291 12.779 1.00 0.00 H new ATOM 1874 N ARG A 122 -20.376 20.780 13.059 1.00 0.00 N ATOM 1875 CA ARG A 122 -21.637 21.459 12.867 1.00 0.00 C ATOM 1876 C ARG A 122 -21.585 22.873 13.457 1.00 0.00 C ATOM 1877 O ARG A 122 -21.112 23.781 12.753 1.00 0.00 O ATOM 1878 CB ARG A 122 -22.790 20.686 13.486 1.00 0.00 C ATOM 1879 CG ARG A 122 -24.087 21.474 13.449 1.00 0.00 C ATOM 1880 CD ARG A 122 -25.268 20.746 14.078 1.00 0.00 C ATOM 1881 NE ARG A 122 -25.672 19.540 13.350 1.00 0.00 N ATOM 1882 CZ ARG A 122 -26.484 19.563 12.285 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -26.766 20.720 11.690 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.992 18.432 11.795 1.00 0.00 N ATOM 0 H ARG A 122 -19.984 20.365 12.214 1.00 0.00 H new ATOM 0 HA ARG A 122 -21.809 21.524 11.793 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -22.923 19.744 12.953 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -22.546 20.437 14.519 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -23.940 22.422 13.966 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -24.328 21.710 12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -25.012 20.473 15.102 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.117 21.428 14.133 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.317 18.639 13.670 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -26.364 21.587 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -27.384 20.739 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.763 17.539 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.609 18.460 10.984 1.00 0.00 H new TER 1898 ARG A 122