USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 795 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 47 GLN :FLIP amide:sc= -0.908 F(o=-4.2!,f=-1.4) USER MOD Set 1.2: A 98 THR OG1 : rot 114:sc= 0.0453 USER MOD Set 1.3: A 127 SER OG : rot 138:sc= -0.543 USER MOD Set 2.1: A 68 SER OG : rot 144:sc= 1.33 USER MOD Set 2.2: A 126 HIS : no HD1:sc= 0.0956 K(o=1.4,f=-5.7!) USER MOD Set 3.1: A 27 SER OG : rot 176:sc= 0.115 USER MOD Set 3.2: A 113 SER OG : rot 50:sc= 1.26 USER MOD Set 3.3: A 115 SER OG : rot 81:sc= 0.731 USER MOD Set 4.1: A 29 TYR OH : rot 38:sc= 1.21 USER MOD Set 4.2: A 76 GLN : amide:sc= 0.997 K(o=2.2,f=-1.5) USER MOD Set 5.1: A 41 ASN :FLIP amide:sc= -0.62 F(o=-1,f=-0.32) USER MOD Set 5.2: A 45 GLN :FLIP amide:sc= 0.298 F(o=-1!,f=-0.32) USER MOD Set 6.1: A 38 THR OG1 : rot 94:sc= 1.36 USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0.695 USER MOD Single : A 34 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.78) USER MOD Single : A 42 SER OG : rot -174:sc= 0.288 USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.0349 (180deg=-0.271) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.0115 (180deg=-0.145) USER MOD Single : A 57 HIS : no HE2:sc= -0.752 X(o=-0.75,f=-0.83) USER MOD Single : A 58 MET CE :methyl 155:sc= -2.46! (180deg=-5!) USER MOD Single : A 61 SER OG : rot -88:sc= 1.33 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.904 F(o=-5.5!,f=-0.9) USER MOD Single : A 63 SER OG : rot 78:sc= 1.7 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= -0.0232 (180deg=-0.174) USER MOD Single : A 70 GLN : amide:sc= -0.871 K(o=-0.87,f=-3.6!) USER MOD Single : A 75 SER OG : rot -107:sc= 1.23 USER MOD Single : A 78 SER OG : rot -97:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -0.0234 (180deg=-0.186) USER MOD Single : A 82 GLN : amide:sc= 0.563 K(o=0.56,f=-0.14) USER MOD Single : A 85 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.1) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0311) USER MOD Single : A 99 TYR OH : rot -126:sc= 1.25 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.477 F(o=-1.3,f=-0.48) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -77:sc= 1.15 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.411 K(o=0.41,f=-5.4!) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HE2:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 120 SER OG : rot -89:sc= 0.123 USER MOD Single : A 122 ASN : amide:sc= -2.53! C(o=-2.5!,f=-7.4!) USER MOD Single : A 124 MET CE :methyl 159:sc= -0.149 (180deg=-0.807) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.409 -0.839 11.637 1.00 0.00 N ATOM 24 CA LEU A 26 -6.144 -1.052 10.958 1.00 0.00 C ATOM 25 C LEU A 26 -6.240 -0.450 9.566 1.00 0.00 C ATOM 26 O LEU A 26 -6.050 -1.127 8.560 1.00 0.00 O ATOM 27 CB LEU A 26 -5.812 -2.547 10.869 1.00 0.00 C ATOM 28 CG LEU A 26 -5.646 -3.265 12.208 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.352 -4.737 11.978 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.538 -2.628 13.034 1.00 0.00 C ATOM 0 HA LEU A 26 -5.344 -0.571 11.522 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.602 -3.044 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.891 -2.663 10.297 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.579 -3.172 12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.236 -5.239 12.938 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.177 -5.191 11.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.432 -4.839 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.440 -3.158 13.982 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.597 -2.686 12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.782 -1.583 13.226 1.00 0.00 H new ATOM 42 N SER A 27 -6.573 0.826 9.526 1.00 0.00 N ATOM 43 CA SER A 27 -6.776 1.527 8.276 1.00 0.00 C ATOM 44 C SER A 27 -5.801 2.693 8.180 1.00 0.00 C ATOM 45 O SER A 27 -5.322 3.190 9.200 1.00 0.00 O ATOM 46 CB SER A 27 -8.224 2.014 8.205 1.00 0.00 C ATOM 47 OG SER A 27 -9.120 0.943 8.472 1.00 0.00 O ATOM 0 H SER A 27 -6.710 1.402 10.356 1.00 0.00 H new ATOM 0 HA SER A 27 -6.591 0.858 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.381 2.816 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.427 2.429 7.218 1.00 0.00 H new ATOM 0 HG SER A 27 -10.039 1.282 8.488 1.00 0.00 H new ATOM 53 N TRP A 28 -5.507 3.128 6.959 1.00 0.00 N ATOM 54 CA TRP A 28 -4.497 4.163 6.741 1.00 0.00 C ATOM 55 C TRP A 28 -4.986 5.556 7.157 1.00 0.00 C ATOM 56 O TRP A 28 -4.357 6.564 6.836 1.00 0.00 O ATOM 57 CB TRP A 28 -4.015 4.160 5.278 1.00 0.00 C ATOM 58 CG TRP A 28 -5.079 4.393 4.236 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.350 4.864 4.421 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.942 4.170 2.826 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.007 4.937 3.217 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.164 4.520 2.224 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.902 3.706 2.015 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.377 4.421 0.853 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.113 3.610 0.652 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.343 3.964 0.084 1.00 0.00 C ATOM 0 H TRP A 28 -5.950 2.783 6.108 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.651 3.922 7.384 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.249 4.928 5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.538 3.201 5.075 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.775 5.139 5.375 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.968 5.251 3.085 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.951 3.428 2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.324 4.695 0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.316 3.256 0.015 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.478 3.874 -0.984 1.00 0.00 H new ATOM 77 N TYR A 29 -6.104 5.604 7.871 1.00 0.00 N ATOM 78 CA TYR A 29 -6.603 6.850 8.432 1.00 0.00 C ATOM 79 C TYR A 29 -6.460 6.838 9.949 1.00 0.00 C ATOM 80 O TYR A 29 -6.804 7.807 10.626 1.00 0.00 O ATOM 81 CB TYR A 29 -8.060 7.085 8.035 1.00 0.00 C ATOM 82 CG TYR A 29 -8.214 8.007 6.845 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.883 7.585 5.566 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.690 9.302 7.004 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.016 8.428 4.478 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.829 10.149 5.922 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.492 9.707 4.661 1.00 0.00 C ATOM 88 OH TYR A 29 -8.628 10.551 3.581 1.00 0.00 O ATOM 0 H TYR A 29 -6.683 4.790 8.075 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.008 7.669 8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.526 6.127 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.598 7.506 8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.515 6.581 5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.956 9.653 7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.748 8.085 3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.200 11.153 6.064 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.942 10.041 2.805 1.00 0.00 H new ATOM 98 N ASP A 30 -5.945 5.734 10.469 1.00 0.00 N ATOM 99 CA ASP A 30 -5.707 5.595 11.895 1.00 0.00 C ATOM 100 C ASP A 30 -4.284 6.013 12.222 1.00 0.00 C ATOM 101 O ASP A 30 -3.331 5.498 11.640 1.00 0.00 O ATOM 102 CB ASP A 30 -5.926 4.149 12.352 1.00 0.00 C ATOM 103 CG ASP A 30 -7.378 3.716 12.309 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.841 3.263 11.242 1.00 0.00 O ATOM 105 OD2 ASP A 30 -8.055 3.796 13.359 1.00 0.00 O ATOM 0 H ASP A 30 -5.683 4.916 9.918 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.414 6.237 12.420 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.338 3.483 11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.551 4.037 13.369 1.00 0.00 H new ATOM 110 N PRO A 31 -4.123 6.951 13.163 1.00 0.00 N ATOM 111 CA PRO A 31 -2.803 7.420 13.609 1.00 0.00 C ATOM 112 C PRO A 31 -2.000 6.310 14.285 1.00 0.00 C ATOM 113 O PRO A 31 -0.799 6.450 14.527 1.00 0.00 O ATOM 114 CB PRO A 31 -3.128 8.525 14.619 1.00 0.00 C ATOM 115 CG PRO A 31 -4.546 8.894 14.352 1.00 0.00 C ATOM 116 CD PRO A 31 -5.211 7.643 13.863 1.00 0.00 C ATOM 0 HA PRO A 31 -2.191 7.759 12.773 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.999 8.173 15.643 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.467 9.382 14.491 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.030 9.266 15.255 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.610 9.687 13.607 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.607 7.047 14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.046 7.862 13.197 1.00 0.00 H new ATOM 124 N ASP A 32 -2.681 5.217 14.596 1.00 0.00 N ATOM 125 CA ASP A 32 -2.059 4.068 15.245 1.00 0.00 C ATOM 126 C ASP A 32 -1.474 3.106 14.217 1.00 0.00 C ATOM 127 O ASP A 32 -0.789 2.143 14.570 1.00 0.00 O ATOM 128 CB ASP A 32 -3.086 3.315 16.095 1.00 0.00 C ATOM 129 CG ASP A 32 -3.773 4.194 17.118 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.211 4.395 18.212 1.00 0.00 O ATOM 131 OD2 ASP A 32 -4.895 4.673 16.839 1.00 0.00 O ATOM 0 H ASP A 32 -3.677 5.100 14.407 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.257 4.445 15.879 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.838 2.875 15.440 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.590 2.491 16.608 1.00 0.00 H new ATOM 136 N PHE A 33 -1.753 3.358 12.946 1.00 0.00 N ATOM 137 CA PHE A 33 -1.332 2.459 11.884 1.00 0.00 C ATOM 138 C PHE A 33 0.071 2.815 11.405 1.00 0.00 C ATOM 139 O PHE A 33 0.404 3.989 11.242 1.00 0.00 O ATOM 140 CB PHE A 33 -2.327 2.517 10.720 1.00 0.00 C ATOM 141 CG PHE A 33 -2.225 1.350 9.783 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.666 0.096 10.175 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.701 1.505 8.511 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.586 -0.980 9.316 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.617 0.432 7.648 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.061 -0.812 8.050 1.00 0.00 C ATOM 0 H PHE A 33 -2.269 4.178 12.626 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.311 1.442 12.276 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.340 2.563 11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.164 3.437 10.159 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.077 -0.040 11.164 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.354 2.476 8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.933 -1.952 9.633 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.204 0.565 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.998 -1.653 7.375 1.00 0.00 H new ATOM 156 N GLN A 34 0.891 1.797 11.186 1.00 0.00 N ATOM 157 CA GLN A 34 2.261 2.001 10.740 1.00 0.00 C ATOM 158 C GLN A 34 2.494 1.318 9.399 1.00 0.00 C ATOM 159 O GLN A 34 1.950 0.242 9.137 1.00 0.00 O ATOM 160 CB GLN A 34 3.248 1.474 11.786 1.00 0.00 C ATOM 161 CG GLN A 34 3.275 2.301 13.064 1.00 0.00 C ATOM 162 CD GLN A 34 3.806 3.710 12.853 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.382 4.651 13.525 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.754 3.865 11.941 1.00 0.00 N ATOM 0 H GLN A 34 0.630 0.819 11.310 1.00 0.00 H new ATOM 0 HA GLN A 34 2.426 3.071 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.988 0.445 12.034 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.248 1.455 11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.267 2.357 13.474 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.893 1.794 13.805 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.080 3.062 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.158 4.787 11.777 1.00 0.00 H new ATOM 173 N ALA A 35 3.298 1.946 8.555 1.00 0.00 N ATOM 174 CA ALA A 35 3.575 1.424 7.228 1.00 0.00 C ATOM 175 C ALA A 35 4.900 1.961 6.714 1.00 0.00 C ATOM 176 O ALA A 35 5.498 2.846 7.327 1.00 0.00 O ATOM 177 CB ALA A 35 2.449 1.795 6.273 1.00 0.00 C ATOM 0 H ALA A 35 3.772 2.823 8.769 1.00 0.00 H new ATOM 0 HA ALA A 35 3.641 0.338 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.667 1.399 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.511 1.372 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.361 2.880 6.219 1.00 0.00 H new ATOM 183 N ARG A 36 5.358 1.413 5.602 1.00 0.00 N ATOM 184 CA ARG A 36 6.576 1.871 4.963 1.00 0.00 C ATOM 185 C ARG A 36 6.448 1.708 3.457 1.00 0.00 C ATOM 186 O ARG A 36 5.482 1.121 2.963 1.00 0.00 O ATOM 187 CB ARG A 36 7.796 1.071 5.444 1.00 0.00 C ATOM 188 CG ARG A 36 7.880 -0.321 4.824 1.00 0.00 C ATOM 189 CD ARG A 36 9.312 -0.829 4.725 1.00 0.00 C ATOM 190 NE ARG A 36 9.809 -1.384 5.980 1.00 0.00 N ATOM 191 CZ ARG A 36 10.785 -0.839 6.700 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.259 0.361 6.388 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.280 -1.485 7.742 1.00 0.00 N ATOM 0 H ARG A 36 4.897 0.641 5.119 1.00 0.00 H new ATOM 0 HA ARG A 36 6.721 2.919 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.704 1.625 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.757 0.977 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.291 -1.017 5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.436 -0.300 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.368 -1.593 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.961 -0.011 4.414 1.00 0.00 H new ATOM 0 HE ARG A 36 9.381 -2.243 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.874 0.870 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.008 0.774 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.913 -2.403 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.029 -1.066 8.293 1.00 0.00 H new ATOM 206 N LEU A 37 7.419 2.229 2.736 1.00 0.00 N ATOM 207 CA LEU A 37 7.528 1.986 1.315 1.00 0.00 C ATOM 208 C LEU A 37 8.806 1.215 1.048 1.00 0.00 C ATOM 209 O LEU A 37 9.863 1.550 1.589 1.00 0.00 O ATOM 210 CB LEU A 37 7.507 3.307 0.552 1.00 0.00 C ATOM 211 CG LEU A 37 6.190 4.076 0.663 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.310 5.447 0.029 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.066 3.294 0.010 1.00 0.00 C ATOM 0 H LEU A 37 8.150 2.829 3.117 1.00 0.00 H new ATOM 0 HA LEU A 37 6.680 1.395 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.315 3.939 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.711 3.109 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 37 5.961 4.206 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.361 5.975 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.091 6.015 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.565 5.339 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.135 3.854 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.297 3.136 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.957 2.330 0.507 1.00 0.00 H new ATOM 225 N THR A 38 8.693 0.163 0.249 1.00 0.00 N ATOM 226 CA THR A 38 9.812 -0.728 -0.013 1.00 0.00 C ATOM 227 C THR A 38 10.997 0.021 -0.610 1.00 0.00 C ATOM 228 O THR A 38 10.823 1.016 -1.316 1.00 0.00 O ATOM 229 CB THR A 38 9.401 -1.863 -0.968 1.00 0.00 C ATOM 230 OG1 THR A 38 8.822 -1.310 -2.159 1.00 0.00 O ATOM 231 CG2 THR A 38 8.406 -2.799 -0.299 1.00 0.00 C ATOM 0 H THR A 38 7.831 -0.094 -0.231 1.00 0.00 H new ATOM 0 HA THR A 38 10.110 -1.151 0.946 1.00 0.00 H new ATOM 0 HB THR A 38 10.292 -2.435 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.514 -1.218 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.130 -3.593 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.859 -3.236 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.515 -2.240 -0.015 1.00 0.00 H new ATOM 239 N ARG A 39 12.199 -0.475 -0.325 1.00 0.00 N ATOM 240 CA ARG A 39 13.431 0.146 -0.810 1.00 0.00 C ATOM 241 C ARG A 39 13.626 -0.114 -2.303 1.00 0.00 C ATOM 242 O ARG A 39 14.607 -0.723 -2.733 1.00 0.00 O ATOM 243 CB ARG A 39 14.643 -0.342 0.000 1.00 0.00 C ATOM 244 CG ARG A 39 14.718 -1.851 0.184 1.00 0.00 C ATOM 245 CD ARG A 39 15.967 -2.245 0.950 1.00 0.00 C ATOM 246 NE ARG A 39 15.965 -3.657 1.330 1.00 0.00 N ATOM 247 CZ ARG A 39 17.024 -4.295 1.815 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.177 -3.657 1.957 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.939 -5.572 2.152 1.00 0.00 N ATOM 0 H ARG A 39 12.347 -1.310 0.242 1.00 0.00 H new ATOM 0 HA ARG A 39 13.344 1.223 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.554 -0.004 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.620 0.130 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.834 -2.200 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.715 -2.340 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.845 -2.037 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.049 -1.630 1.846 1.00 0.00 H new ATOM 0 HE ARG A 39 15.099 -4.183 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.252 -2.674 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.989 -4.149 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.057 -6.071 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.756 -6.057 2.524 1.00 0.00 H new ATOM 262 N SER A 40 12.665 0.350 -3.081 1.00 0.00 N ATOM 263 CA SER A 40 12.708 0.236 -4.524 1.00 0.00 C ATOM 264 C SER A 40 13.459 1.426 -5.117 1.00 0.00 C ATOM 265 O SER A 40 14.431 1.255 -5.856 1.00 0.00 O ATOM 266 CB SER A 40 11.282 0.173 -5.075 1.00 0.00 C ATOM 267 OG SER A 40 10.530 -0.839 -4.418 1.00 0.00 O ATOM 0 H SER A 40 11.831 0.818 -2.727 1.00 0.00 H new ATOM 0 HA SER A 40 13.234 -0.678 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.794 1.138 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.310 -0.026 -6.146 1.00 0.00 H new ATOM 0 HG SER A 40 9.621 -0.861 -4.784 1.00 0.00 H new ATOM 273 N ASN A 41 13.010 2.632 -4.778 1.00 0.00 N ATOM 274 CA ASN A 41 13.673 3.849 -5.233 1.00 0.00 C ATOM 275 C ASN A 41 14.161 4.659 -4.041 1.00 0.00 C ATOM 276 O ASN A 41 15.320 5.067 -3.993 1.00 0.00 O ATOM 277 CB ASN A 41 12.744 4.707 -6.103 1.00 0.00 C ATOM 278 CG ASN A 41 12.363 4.034 -7.410 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.244 4.443 -7.987 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 13.080 3.174 -7.914 1.00 0.00 N flip ATOM 0 H ASN A 41 12.191 2.791 -4.191 1.00 0.00 H new ATOM 0 HA ASN A 41 14.526 3.552 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.838 4.935 -5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.233 5.657 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.936 2.883 -7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.820 2.751 -8.805 1.00 0.00 H new ATOM 287 N SER A 42 13.279 4.880 -3.075 1.00 0.00 N ATOM 288 CA SER A 42 13.631 5.628 -1.882 1.00 0.00 C ATOM 289 C SER A 42 12.644 5.318 -0.761 1.00 0.00 C ATOM 290 O SER A 42 11.720 4.529 -0.954 1.00 0.00 O ATOM 291 CB SER A 42 13.658 7.128 -2.194 1.00 0.00 C ATOM 292 OG SER A 42 14.125 7.898 -1.097 1.00 0.00 O ATOM 0 H SER A 42 12.314 4.550 -3.097 1.00 0.00 H new ATOM 0 HA SER A 42 14.626 5.331 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.298 7.306 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.656 7.458 -2.466 1.00 0.00 H new ATOM 0 HG SER A 42 14.041 8.851 -1.307 1.00 0.00 H new ATOM 298 N LYS A 43 12.825 5.943 0.396 1.00 0.00 N ATOM 299 CA LYS A 43 11.994 5.643 1.560 1.00 0.00 C ATOM 300 C LYS A 43 10.542 6.075 1.342 1.00 0.00 C ATOM 301 O LYS A 43 9.618 5.464 1.875 1.00 0.00 O ATOM 302 CB LYS A 43 12.557 6.298 2.835 1.00 0.00 C ATOM 303 CG LYS A 43 12.441 7.818 2.894 1.00 0.00 C ATOM 304 CD LYS A 43 13.449 8.511 1.990 1.00 0.00 C ATOM 305 CE LYS A 43 13.352 10.026 2.098 1.00 0.00 C ATOM 306 NZ LYS A 43 13.638 10.506 3.477 1.00 0.00 N ATOM 0 H LYS A 43 13.535 6.657 0.555 1.00 0.00 H new ATOM 0 HA LYS A 43 12.011 4.561 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.041 5.877 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.608 6.027 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.433 8.114 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.588 8.152 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.457 8.191 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.280 8.208 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.054 10.485 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.353 10.347 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.812 11.531 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.823 10.304 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.479 10.018 3.847 1.00 0.00 H new ATOM 319 N CYS A 44 10.344 7.123 0.553 1.00 0.00 N ATOM 320 CA CYS A 44 9.002 7.627 0.290 1.00 0.00 C ATOM 321 C CYS A 44 8.638 7.474 -1.178 1.00 0.00 C ATOM 322 O CYS A 44 7.870 8.266 -1.728 1.00 0.00 O ATOM 323 CB CYS A 44 8.874 9.087 0.727 1.00 0.00 C ATOM 324 SG CYS A 44 8.927 9.324 2.535 1.00 0.00 S ATOM 0 H CYS A 44 11.091 7.638 0.086 1.00 0.00 H new ATOM 0 HA CYS A 44 8.302 7.031 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.678 9.664 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.936 9.490 0.345 1.00 0.00 H new ATOM 329 N GLN A 45 9.177 6.441 -1.804 1.00 0.00 N ATOM 330 CA GLN A 45 8.838 6.125 -3.179 1.00 0.00 C ATOM 331 C GLN A 45 9.120 4.659 -3.466 1.00 0.00 C ATOM 332 O GLN A 45 10.267 4.258 -3.690 1.00 0.00 O ATOM 333 CB GLN A 45 9.599 7.023 -4.160 1.00 0.00 C ATOM 334 CG GLN A 45 9.359 6.676 -5.623 1.00 0.00 C ATOM 335 CD GLN A 45 10.011 7.661 -6.576 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.107 8.916 -6.165 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 10.419 7.293 -7.676 1.00 0.00 N flip ATOM 0 H GLN A 45 9.853 5.806 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 45 7.773 6.312 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.308 8.060 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.666 6.953 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.744 5.676 -5.822 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.286 6.649 -5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.326 6.316 -7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.851 7.965 -8.311 1.00 0.00 H new ATOM 346 N GLY A 46 8.065 3.866 -3.450 1.00 0.00 N ATOM 347 CA GLY A 46 8.194 2.447 -3.684 1.00 0.00 C ATOM 348 C GLY A 46 6.860 1.744 -3.586 1.00 0.00 C ATOM 349 O GLY A 46 5.829 2.313 -3.953 1.00 0.00 O ATOM 0 H GLY A 46 7.111 4.184 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.623 2.278 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.886 2.019 -2.958 1.00 0.00 H new ATOM 353 N GLN A 47 6.874 0.519 -3.089 1.00 0.00 N ATOM 354 CA GLN A 47 5.665 -0.277 -2.970 1.00 0.00 C ATOM 355 C GLN A 47 5.207 -0.311 -1.518 1.00 0.00 C ATOM 356 O GLN A 47 6.027 -0.398 -0.603 1.00 0.00 O ATOM 357 CB GLN A 47 5.933 -1.680 -3.514 1.00 0.00 C ATOM 358 CG GLN A 47 6.355 -1.651 -4.976 1.00 0.00 C ATOM 359 CD GLN A 47 6.940 -2.959 -5.468 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.835 -2.862 -6.438 1.00 0.00 O flip ATOM 361 NE2 GLN A 47 6.589 -4.042 -4.998 1.00 0.00 N flip ATOM 0 H GLN A 47 7.718 0.051 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 47 4.861 0.169 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.713 -2.157 -2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.035 -2.288 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.491 -1.397 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.090 -0.859 -5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.896 -4.073 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.992 -4.908 -5.356 1.00 0.00 H new ATOM 370 N LEU A 48 3.902 -0.209 -1.318 1.00 0.00 N ATOM 371 CA LEU A 48 3.335 -0.085 0.014 1.00 0.00 C ATOM 372 C LEU A 48 3.463 -1.384 0.800 1.00 0.00 C ATOM 373 O LEU A 48 2.909 -2.420 0.421 1.00 0.00 O ATOM 374 CB LEU A 48 1.863 0.343 -0.066 1.00 0.00 C ATOM 375 CG LEU A 48 1.185 0.620 1.281 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.829 1.806 1.987 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.302 0.864 1.085 1.00 0.00 C ATOM 0 H LEU A 48 3.212 -0.210 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 48 3.900 0.683 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.796 1.242 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.303 -0.437 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 48 1.317 -0.259 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.327 1.979 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.883 1.595 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.738 2.695 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.769 1.059 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.447 1.724 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.759 -0.016 0.632 1.00 0.00 H new ATOM 389 N GLU A 49 4.208 -1.310 1.888 1.00 0.00 N ATOM 390 CA GLU A 49 4.340 -2.420 2.810 1.00 0.00 C ATOM 391 C GLU A 49 3.860 -1.962 4.180 1.00 0.00 C ATOM 392 O GLU A 49 4.370 -0.988 4.730 1.00 0.00 O ATOM 393 CB GLU A 49 5.795 -2.896 2.867 1.00 0.00 C ATOM 394 CG GLU A 49 6.005 -4.155 3.688 1.00 0.00 C ATOM 395 CD GLU A 49 7.463 -4.562 3.749 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.269 -3.823 4.351 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.814 -5.615 3.178 1.00 0.00 O ATOM 0 H GLU A 49 4.737 -0.480 2.156 1.00 0.00 H new ATOM 0 HA GLU A 49 3.735 -3.262 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.147 -3.075 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.411 -2.098 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.632 -3.994 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.420 -4.968 3.259 1.00 0.00 H new ATOM 404 N VAL A 50 2.863 -2.640 4.716 1.00 0.00 N ATOM 405 CA VAL A 50 2.209 -2.181 5.931 1.00 0.00 C ATOM 406 C VAL A 50 2.546 -3.061 7.127 1.00 0.00 C ATOM 407 O VAL A 50 2.852 -4.246 6.974 1.00 0.00 O ATOM 408 CB VAL A 50 0.677 -2.121 5.761 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.292 -1.095 4.707 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.118 -3.490 5.403 1.00 0.00 C ATOM 0 H VAL A 50 2.488 -3.508 4.333 1.00 0.00 H new ATOM 0 HA VAL A 50 2.588 -1.176 6.119 1.00 0.00 H new ATOM 0 HB VAL A 50 0.244 -1.814 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.793 -1.069 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.651 -0.111 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.741 -1.368 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.964 -3.423 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.562 -3.831 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.355 -4.199 6.196 1.00 0.00 H new ATOM 420 N TYR A 51 2.494 -2.470 8.315 1.00 0.00 N ATOM 421 CA TYR A 51 2.749 -3.204 9.542 1.00 0.00 C ATOM 422 C TYR A 51 1.429 -3.617 10.178 1.00 0.00 C ATOM 423 O TYR A 51 0.799 -2.841 10.905 1.00 0.00 O ATOM 424 CB TYR A 51 3.572 -2.361 10.520 1.00 0.00 C ATOM 425 CG TYR A 51 4.057 -3.144 11.723 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.187 -3.951 11.638 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.381 -3.089 12.935 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.627 -4.679 12.726 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.817 -3.812 14.026 1.00 0.00 C ATOM 430 CZ TYR A 51 4.937 -4.605 13.917 1.00 0.00 C ATOM 431 OH TYR A 51 5.364 -5.332 15.001 1.00 0.00 O ATOM 0 H TYR A 51 2.277 -1.483 8.451 1.00 0.00 H new ATOM 0 HA TYR A 51 3.324 -4.098 9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.432 -1.944 9.996 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.968 -1.520 10.861 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.729 -4.009 10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.500 -2.471 13.025 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.505 -5.302 12.644 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.282 -3.756 14.962 1.00 0.00 H new ATOM 0 HH TYR A 51 4.768 -5.166 15.761 1.00 0.00 H new ATOM 441 N LEU A 52 1.011 -4.833 9.890 1.00 0.00 N ATOM 442 CA LEU A 52 -0.236 -5.357 10.416 1.00 0.00 C ATOM 443 C LEU A 52 0.008 -6.101 11.723 1.00 0.00 C ATOM 444 O LEU A 52 1.111 -6.058 12.272 1.00 0.00 O ATOM 445 CB LEU A 52 -0.905 -6.281 9.392 1.00 0.00 C ATOM 446 CG LEU A 52 -1.417 -5.597 8.122 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.057 -6.615 7.193 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.412 -4.494 8.460 1.00 0.00 C ATOM 0 H LEU A 52 1.520 -5.482 9.290 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.905 -4.519 10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.191 -7.053 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.742 -6.784 9.875 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.565 -5.145 7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.416 -6.113 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.320 -7.369 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.895 -7.094 7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.760 -4.024 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.261 -4.921 8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.927 -3.747 9.088 1.00 0.00 H new ATOM 460 N LYS A 53 -1.017 -6.786 12.212 1.00 0.00 N ATOM 461 CA LYS A 53 -0.941 -7.495 13.483 1.00 0.00 C ATOM 462 C LYS A 53 0.217 -8.497 13.490 1.00 0.00 C ATOM 463 O LYS A 53 0.887 -8.682 14.510 1.00 0.00 O ATOM 464 CB LYS A 53 -2.270 -8.210 13.741 1.00 0.00 C ATOM 465 CG LYS A 53 -2.429 -8.769 15.143 1.00 0.00 C ATOM 466 CD LYS A 53 -3.774 -9.463 15.295 1.00 0.00 C ATOM 467 CE LYS A 53 -4.014 -9.950 16.715 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.126 -8.825 17.680 1.00 0.00 N ATOM 0 H LYS A 53 -1.919 -6.866 11.743 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.754 -6.773 14.278 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.085 -7.513 13.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.373 -9.026 13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.625 -9.474 15.352 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.345 -7.964 15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.570 -8.775 15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.823 -10.309 14.610 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.927 -10.545 16.744 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.197 -10.605 17.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.487 -9.181 18.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.189 -8.397 17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.780 -8.109 17.304 1.00 0.00 H new ATOM 481 N ASP A 54 0.465 -9.118 12.344 1.00 0.00 N ATOM 482 CA ASP A 54 1.505 -10.137 12.239 1.00 0.00 C ATOM 483 C ASP A 54 2.873 -9.516 11.962 1.00 0.00 C ATOM 484 O ASP A 54 3.900 -10.045 12.390 1.00 0.00 O ATOM 485 CB ASP A 54 1.167 -11.149 11.138 1.00 0.00 C ATOM 486 CG ASP A 54 1.490 -10.645 9.743 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.768 -9.762 9.233 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.476 -11.138 9.153 1.00 0.00 O ATOM 0 H ASP A 54 -0.038 -8.936 11.475 1.00 0.00 H new ATOM 0 HA ASP A 54 1.548 -10.652 13.198 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.717 -12.072 11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.106 -11.394 11.192 1.00 0.00 H new ATOM 493 N GLY A 55 2.885 -8.395 11.255 1.00 0.00 N ATOM 494 CA GLY A 55 4.135 -7.765 10.887 1.00 0.00 C ATOM 495 C GLY A 55 4.042 -7.068 9.546 1.00 0.00 C ATOM 496 O GLY A 55 2.979 -6.570 9.176 1.00 0.00 O ATOM 0 H GLY A 55 2.049 -7.910 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.417 -7.043 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.924 -8.516 10.852 1.00 0.00 H new ATOM 500 N TRP A 56 5.142 -7.048 8.806 1.00 0.00 N ATOM 501 CA TRP A 56 5.194 -6.338 7.534 1.00 0.00 C ATOM 502 C TRP A 56 4.663 -7.198 6.393 1.00 0.00 C ATOM 503 O TRP A 56 5.124 -8.320 6.173 1.00 0.00 O ATOM 504 CB TRP A 56 6.625 -5.894 7.227 1.00 0.00 C ATOM 505 CG TRP A 56 7.155 -4.883 8.196 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.991 -5.114 9.248 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.872 -3.479 8.212 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.252 -3.942 9.912 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.576 -2.923 9.296 1.00 0.00 C ATOM 510 CE3 TRP A 56 6.095 -2.637 7.412 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.521 -1.565 9.602 1.00 0.00 C ATOM 512 CZ3 TRP A 56 6.043 -1.294 7.716 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.752 -0.769 8.801 1.00 0.00 C ATOM 0 H TRP A 56 6.011 -7.515 9.064 1.00 0.00 H new ATOM 0 HA TRP A 56 4.556 -5.458 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.277 -6.767 7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.660 -5.475 6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.390 -6.080 9.519 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.852 -3.846 10.731 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.545 -3.032 6.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.066 -1.157 10.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.444 -0.635 7.105 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.690 0.289 9.010 1.00 0.00 H new ATOM 524 N HIS A 57 3.690 -6.664 5.675 1.00 0.00 N ATOM 525 CA HIS A 57 3.122 -7.343 4.520 1.00 0.00 C ATOM 526 C HIS A 57 2.951 -6.369 3.363 1.00 0.00 C ATOM 527 O HIS A 57 2.579 -5.213 3.567 1.00 0.00 O ATOM 528 CB HIS A 57 1.776 -7.977 4.876 1.00 0.00 C ATOM 529 CG HIS A 57 1.862 -9.443 5.181 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.448 -9.999 6.375 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.282 -10.477 4.414 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.604 -11.309 6.322 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.109 -11.625 5.146 1.00 0.00 N ATOM 0 H HIS A 57 3.273 -5.754 5.873 1.00 0.00 H new ATOM 0 HA HIS A 57 3.809 -8.133 4.216 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.357 -7.459 5.739 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.083 -7.827 4.048 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.080 -9.480 7.172 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.679 -10.411 3.412 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.359 -12.005 7.110 1.00 0.00 H new ATOM 541 N MET A 58 3.229 -6.840 2.152 1.00 0.00 N ATOM 542 CA MET A 58 3.106 -6.015 0.955 1.00 0.00 C ATOM 543 C MET A 58 1.651 -5.951 0.509 1.00 0.00 C ATOM 544 O MET A 58 0.935 -6.949 0.577 1.00 0.00 O ATOM 545 CB MET A 58 3.954 -6.587 -0.182 1.00 0.00 C ATOM 546 CG MET A 58 5.441 -6.659 0.120 1.00 0.00 C ATOM 547 SD MET A 58 6.384 -7.362 -1.250 1.00 0.00 S ATOM 548 CE MET A 58 5.928 -6.237 -2.570 1.00 0.00 C ATOM 0 H MET A 58 3.543 -7.794 1.973 1.00 0.00 H new ATOM 0 HA MET A 58 3.460 -5.012 1.196 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.595 -7.588 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.806 -5.976 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.814 -5.659 0.340 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.599 -7.262 1.014 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.710 -6.230 -3.329 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.990 -6.564 -3.019 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.806 -5.232 -2.166 1.00 0.00 H new ATOM 558 N VAL A 59 1.216 -4.789 0.043 1.00 0.00 N ATOM 559 CA VAL A 59 -0.168 -4.614 -0.374 1.00 0.00 C ATOM 560 C VAL A 59 -0.312 -4.722 -1.892 1.00 0.00 C ATOM 561 O VAL A 59 0.360 -4.011 -2.646 1.00 0.00 O ATOM 562 CB VAL A 59 -0.735 -3.252 0.093 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.195 -3.105 -0.316 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.589 -3.090 1.598 1.00 0.00 C ATOM 0 H VAL A 59 1.798 -3.957 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.738 -5.415 0.097 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.159 -2.465 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.572 -2.140 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.277 -3.166 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.782 -3.904 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.995 -2.125 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.133 -3.888 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.466 -3.141 1.869 1.00 0.00 H new ATOM 574 N CYS A 60 -1.180 -5.624 -2.332 1.00 0.00 N ATOM 575 CA CYS A 60 -1.498 -5.752 -3.748 1.00 0.00 C ATOM 576 C CYS A 60 -2.648 -4.807 -4.089 1.00 0.00 C ATOM 577 O CYS A 60 -3.627 -4.725 -3.346 1.00 0.00 O ATOM 578 CB CYS A 60 -1.877 -7.201 -4.082 1.00 0.00 C ATOM 579 SG CYS A 60 -1.982 -7.556 -5.868 1.00 0.00 S ATOM 0 H CYS A 60 -1.677 -6.278 -1.728 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.623 -5.486 -4.342 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.142 -7.869 -3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.838 -7.428 -3.621 1.00 0.00 H new ATOM 584 N SER A 61 -2.532 -4.096 -5.209 1.00 0.00 N ATOM 585 CA SER A 61 -3.506 -3.064 -5.570 1.00 0.00 C ATOM 586 C SER A 61 -4.860 -3.656 -5.974 1.00 0.00 C ATOM 587 O SER A 61 -5.834 -2.927 -6.139 1.00 0.00 O ATOM 588 CB SER A 61 -2.948 -2.187 -6.695 1.00 0.00 C ATOM 589 OG SER A 61 -2.484 -2.976 -7.779 1.00 0.00 O ATOM 0 H SER A 61 -1.775 -4.214 -5.882 1.00 0.00 H new ATOM 0 HA SER A 61 -3.678 -2.453 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.722 -1.503 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.132 -1.575 -6.312 1.00 0.00 H new ATOM 0 HG SER A 61 -1.547 -3.221 -7.628 1.00 0.00 H new ATOM 595 N GLN A 62 -4.915 -4.977 -6.121 1.00 0.00 N ATOM 596 CA GLN A 62 -6.160 -5.666 -6.460 1.00 0.00 C ATOM 597 C GLN A 62 -7.094 -5.729 -5.246 1.00 0.00 C ATOM 598 O GLN A 62 -8.268 -6.091 -5.364 1.00 0.00 O ATOM 599 CB GLN A 62 -5.845 -7.077 -6.977 1.00 0.00 C ATOM 600 CG GLN A 62 -7.060 -7.875 -7.452 1.00 0.00 C ATOM 601 CD GLN A 62 -7.637 -7.400 -8.781 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.572 -6.107 -9.048 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -8.167 -8.200 -9.552 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.111 -5.594 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.671 -5.107 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.137 -6.996 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.349 -7.636 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.778 -8.924 -7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.838 -7.820 -6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.200 -9.192 -9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.573 -7.871 -10.428 1.00 0.00 H new ATOM 612 N SER A 63 -6.567 -5.356 -4.084 1.00 0.00 N ATOM 613 CA SER A 63 -7.329 -5.388 -2.847 1.00 0.00 C ATOM 614 C SER A 63 -8.530 -4.443 -2.906 1.00 0.00 C ATOM 615 O SER A 63 -8.540 -3.478 -3.671 1.00 0.00 O ATOM 616 CB SER A 63 -6.430 -5.000 -1.670 1.00 0.00 C ATOM 617 OG SER A 63 -5.333 -5.892 -1.548 1.00 0.00 O ATOM 0 H SER A 63 -5.608 -5.026 -3.976 1.00 0.00 H new ATOM 0 HA SER A 63 -7.700 -6.404 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.062 -3.983 -1.809 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.011 -5.005 -0.748 1.00 0.00 H new ATOM 0 HG SER A 63 -4.658 -5.675 -2.225 1.00 0.00 H new ATOM 623 N TRP A 64 -9.539 -4.746 -2.091 1.00 0.00 N ATOM 624 CA TRP A 64 -10.727 -3.903 -1.943 1.00 0.00 C ATOM 625 C TRP A 64 -11.503 -3.770 -3.256 1.00 0.00 C ATOM 626 O TRP A 64 -12.260 -2.813 -3.447 1.00 0.00 O ATOM 627 CB TRP A 64 -10.334 -2.519 -1.409 1.00 0.00 C ATOM 628 CG TRP A 64 -9.538 -2.583 -0.134 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.964 -3.047 1.076 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.176 -2.173 0.053 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.955 -2.952 2.002 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.848 -2.420 1.401 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.203 -1.623 -0.786 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.590 -2.136 1.924 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.955 -1.341 -0.264 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.659 -1.599 1.078 1.00 0.00 C ATOM 0 H TRP A 64 -9.557 -5.586 -1.512 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.387 -4.389 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.752 -1.995 -2.168 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.237 -1.932 -1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.952 -3.433 1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.021 -3.233 2.980 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.423 -1.422 -1.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.357 -2.332 2.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.196 -0.914 -0.903 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.673 -1.369 1.455 1.00 0.00 H new ATOM 647 N GLY A 65 -11.312 -4.735 -4.154 1.00 0.00 N ATOM 648 CA GLY A 65 -12.033 -4.741 -5.414 1.00 0.00 C ATOM 649 C GLY A 65 -11.676 -3.558 -6.291 1.00 0.00 C ATOM 650 O GLY A 65 -12.555 -2.934 -6.895 1.00 0.00 O ATOM 0 H GLY A 65 -10.667 -5.515 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.815 -5.665 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.105 -4.732 -5.216 1.00 0.00 H new ATOM 654 N ARG A 66 -10.389 -3.244 -6.360 1.00 0.00 N ATOM 655 CA ARG A 66 -9.922 -2.094 -7.114 1.00 0.00 C ATOM 656 C ARG A 66 -9.126 -2.524 -8.341 1.00 0.00 C ATOM 657 O ARG A 66 -8.335 -3.467 -8.289 1.00 0.00 O ATOM 658 CB ARG A 66 -9.088 -1.184 -6.208 1.00 0.00 C ATOM 659 CG ARG A 66 -9.917 -0.435 -5.172 1.00 0.00 C ATOM 660 CD ARG A 66 -10.795 0.628 -5.829 1.00 0.00 C ATOM 661 NE ARG A 66 -11.675 1.306 -4.877 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.120 2.549 -5.046 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.702 3.269 -6.080 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.981 3.079 -4.190 1.00 0.00 N ATOM 0 H ARG A 66 -9.649 -3.774 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.788 -1.536 -7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.336 -1.785 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.553 -0.462 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.543 -1.140 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.256 0.035 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.159 1.366 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.400 0.163 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.963 0.799 -4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.040 2.870 -6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.043 4.222 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.309 2.534 -3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.316 4.032 -4.328 1.00 0.00 H new ATOM 677 N SER A 67 -9.363 -1.830 -9.445 1.00 0.00 N ATOM 678 CA SER A 67 -8.745 -2.153 -10.720 1.00 0.00 C ATOM 679 C SER A 67 -7.351 -1.537 -10.837 1.00 0.00 C ATOM 680 O SER A 67 -6.965 -0.686 -10.036 1.00 0.00 O ATOM 681 CB SER A 67 -9.648 -1.653 -11.846 1.00 0.00 C ATOM 682 OG SER A 67 -10.113 -0.339 -11.576 1.00 0.00 O ATOM 0 H SER A 67 -9.990 -1.026 -9.480 1.00 0.00 H new ATOM 0 HA SER A 67 -8.626 -3.234 -10.792 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.100 -1.663 -12.788 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.497 -2.327 -11.963 1.00 0.00 H new ATOM 0 HG SER A 67 -10.688 -0.038 -12.310 1.00 0.00 H new ATOM 688 N SER A 68 -6.605 -1.969 -11.848 1.00 0.00 N ATOM 689 CA SER A 68 -5.233 -1.525 -12.048 1.00 0.00 C ATOM 690 C SER A 68 -5.181 -0.134 -12.687 1.00 0.00 C ATOM 691 O SER A 68 -4.731 0.028 -13.826 1.00 0.00 O ATOM 692 CB SER A 68 -4.480 -2.540 -12.916 1.00 0.00 C ATOM 693 OG SER A 68 -3.099 -2.223 -13.016 1.00 0.00 O ATOM 0 H SER A 68 -6.934 -2.634 -12.548 1.00 0.00 H new ATOM 0 HA SER A 68 -4.752 -1.457 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.595 -3.538 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.921 -2.565 -13.913 1.00 0.00 H new ATOM 0 HG SER A 68 -2.574 -3.050 -13.035 1.00 0.00 H new ATOM 699 N LYS A 69 -5.636 0.862 -11.940 1.00 0.00 N ATOM 700 CA LYS A 69 -5.593 2.252 -12.375 1.00 0.00 C ATOM 701 C LYS A 69 -5.202 3.146 -11.205 1.00 0.00 C ATOM 702 O LYS A 69 -5.342 2.754 -10.047 1.00 0.00 O ATOM 703 CB LYS A 69 -6.959 2.693 -12.922 1.00 0.00 C ATOM 704 CG LYS A 69 -7.376 1.993 -14.206 1.00 0.00 C ATOM 705 CD LYS A 69 -8.690 2.546 -14.736 1.00 0.00 C ATOM 706 CE LYS A 69 -9.084 1.886 -16.049 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.306 0.423 -15.889 1.00 0.00 N ATOM 0 H LYS A 69 -6.045 0.730 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.852 2.342 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.718 2.512 -12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.936 3.768 -13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.597 2.116 -14.959 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.477 0.923 -14.023 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.476 2.388 -13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.601 3.623 -14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.992 2.352 -16.431 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.303 2.056 -16.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.749 0.043 -16.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.394 -0.051 -15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.930 0.254 -15.075 1.00 0.00 H new ATOM 720 N GLN A 70 -4.698 4.336 -11.511 1.00 0.00 N ATOM 721 CA GLN A 70 -4.382 5.313 -10.481 1.00 0.00 C ATOM 722 C GLN A 70 -5.644 6.083 -10.113 1.00 0.00 C ATOM 723 O GLN A 70 -6.453 6.416 -10.982 1.00 0.00 O ATOM 724 CB GLN A 70 -3.281 6.272 -10.955 1.00 0.00 C ATOM 725 CG GLN A 70 -2.955 7.366 -9.945 1.00 0.00 C ATOM 726 CD GLN A 70 -1.732 8.184 -10.315 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.017 8.675 -9.440 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.488 8.351 -11.605 1.00 0.00 N ATOM 0 H GLN A 70 -4.500 4.645 -12.463 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.009 4.792 -9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.377 5.700 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.591 6.734 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.813 8.031 -9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.796 6.912 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.104 7.928 -12.299 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.684 8.903 -11.905 1.00 0.00 H new ATOM 737 N TRP A 71 -5.810 6.354 -8.827 1.00 0.00 N ATOM 738 CA TRP A 71 -7.033 6.966 -8.323 1.00 0.00 C ATOM 739 C TRP A 71 -6.988 8.479 -8.486 1.00 0.00 C ATOM 740 O TRP A 71 -5.916 9.082 -8.515 1.00 0.00 O ATOM 741 CB TRP A 71 -7.230 6.602 -6.848 1.00 0.00 C ATOM 742 CG TRP A 71 -6.949 5.157 -6.565 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.097 4.658 -5.624 1.00 0.00 C ATOM 744 CD2 TRP A 71 -7.495 4.024 -7.254 1.00 0.00 C ATOM 745 NE1 TRP A 71 -6.087 3.285 -5.678 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.935 2.873 -6.671 1.00 0.00 C ATOM 747 CE3 TRP A 71 -8.407 3.870 -8.304 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -7.254 1.592 -7.104 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -8.720 2.596 -8.732 1.00 0.00 C ATOM 750 CH2 TRP A 71 -8.146 1.474 -8.133 1.00 0.00 C ATOM 0 H TRP A 71 -5.111 6.159 -8.110 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.874 6.584 -8.902 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.576 7.222 -6.235 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.254 6.833 -6.555 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.515 5.255 -4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.537 2.672 -5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.858 4.733 -8.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.813 0.720 -6.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -9.420 2.465 -9.544 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.412 0.490 -8.490 1.00 0.00 H new ATOM 761 N GLU A 72 -8.172 9.075 -8.597 1.00 0.00 N ATOM 762 CA GLU A 72 -8.305 10.517 -8.798 1.00 0.00 C ATOM 763 C GLU A 72 -7.786 11.306 -7.598 1.00 0.00 C ATOM 764 O GLU A 72 -7.384 12.459 -7.737 1.00 0.00 O ATOM 765 CB GLU A 72 -9.769 10.889 -9.060 1.00 0.00 C ATOM 766 CG GLU A 72 -10.329 10.333 -10.359 1.00 0.00 C ATOM 767 CD GLU A 72 -11.792 10.678 -10.547 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.657 9.917 -10.064 1.00 0.00 O ATOM 769 OE2 GLU A 72 -12.087 11.716 -11.175 1.00 0.00 O ATOM 0 H GLU A 72 -9.061 8.577 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.700 10.779 -9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.378 10.529 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.860 11.975 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.754 10.726 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.209 9.250 -10.370 1.00 0.00 H new ATOM 776 N ASP A 73 -7.796 10.690 -6.426 1.00 0.00 N ATOM 777 CA ASP A 73 -7.311 11.349 -5.222 1.00 0.00 C ATOM 778 C ASP A 73 -6.232 10.503 -4.564 1.00 0.00 C ATOM 779 O ASP A 73 -6.533 9.542 -3.854 1.00 0.00 O ATOM 780 CB ASP A 73 -8.456 11.590 -4.239 1.00 0.00 C ATOM 781 CG ASP A 73 -8.050 12.497 -3.091 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.400 12.018 -2.141 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.397 13.695 -3.126 1.00 0.00 O ATOM 0 H ASP A 73 -8.133 9.738 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.888 12.313 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.299 12.034 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.797 10.634 -3.841 1.00 0.00 H new ATOM 788 N PRO A 74 -4.955 10.824 -4.814 1.00 0.00 N ATOM 789 CA PRO A 74 -3.839 10.079 -4.243 1.00 0.00 C ATOM 790 C PRO A 74 -3.556 10.482 -2.799 1.00 0.00 C ATOM 791 O PRO A 74 -2.866 9.770 -2.066 1.00 0.00 O ATOM 792 CB PRO A 74 -2.669 10.455 -5.149 1.00 0.00 C ATOM 793 CG PRO A 74 -2.990 11.824 -5.638 1.00 0.00 C ATOM 794 CD PRO A 74 -4.495 11.926 -5.687 1.00 0.00 C ATOM 0 HA PRO A 74 -4.035 9.007 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.726 10.441 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.568 9.753 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.572 12.580 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.558 11.994 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.842 12.894 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.870 11.813 -6.704 1.00 0.00 H new ATOM 802 N SER A 75 -4.131 11.607 -2.384 1.00 0.00 N ATOM 803 CA SER A 75 -3.870 12.172 -1.066 1.00 0.00 C ATOM 804 C SER A 75 -4.552 11.371 0.045 1.00 0.00 C ATOM 805 O SER A 75 -4.440 11.712 1.222 1.00 0.00 O ATOM 806 CB SER A 75 -4.333 13.628 -1.029 1.00 0.00 C ATOM 807 OG SER A 75 -3.770 14.370 -2.101 1.00 0.00 O ATOM 0 H SER A 75 -4.786 12.149 -2.948 1.00 0.00 H new ATOM 0 HA SER A 75 -2.796 12.124 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.421 13.669 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.046 14.080 -0.079 1.00 0.00 H new ATOM 0 HG SER A 75 -3.074 14.967 -1.756 1.00 0.00 H new ATOM 813 N GLN A 76 -5.242 10.298 -0.323 1.00 0.00 N ATOM 814 CA GLN A 76 -5.863 9.416 0.658 1.00 0.00 C ATOM 815 C GLN A 76 -4.801 8.744 1.528 1.00 0.00 C ATOM 816 O GLN A 76 -5.074 8.327 2.653 1.00 0.00 O ATOM 817 CB GLN A 76 -6.725 8.363 -0.042 1.00 0.00 C ATOM 818 CG GLN A 76 -7.912 8.960 -0.778 1.00 0.00 C ATOM 819 CD GLN A 76 -8.904 9.630 0.157 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.103 9.193 1.292 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.508 10.714 -0.303 1.00 0.00 N ATOM 0 H GLN A 76 -5.386 10.018 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.504 10.017 1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.108 7.808 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.085 7.647 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.554 9.689 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.420 8.175 -1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.315 11.043 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.166 11.221 0.289 1.00 0.00 H new ATOM 830 N ALA A 77 -3.579 8.669 1.013 1.00 0.00 N ATOM 831 CA ALA A 77 -2.482 8.055 1.745 1.00 0.00 C ATOM 832 C ALA A 77 -1.532 9.112 2.299 1.00 0.00 C ATOM 833 O ALA A 77 -0.390 8.810 2.651 1.00 0.00 O ATOM 834 CB ALA A 77 -1.721 7.084 0.857 1.00 0.00 C ATOM 0 H ALA A 77 -3.325 9.026 0.092 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.909 7.504 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.905 6.636 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.396 6.301 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.316 7.618 -0.002 1.00 0.00 H new ATOM 840 N SER A 78 -2.010 10.351 2.379 1.00 0.00 N ATOM 841 CA SER A 78 -1.207 11.454 2.895 1.00 0.00 C ATOM 842 C SER A 78 -0.726 11.172 4.316 1.00 0.00 C ATOM 843 O SER A 78 0.402 11.508 4.675 1.00 0.00 O ATOM 844 CB SER A 78 -2.017 12.749 2.864 1.00 0.00 C ATOM 845 OG SER A 78 -3.291 12.559 3.459 1.00 0.00 O ATOM 0 H SER A 78 -2.952 10.616 2.092 1.00 0.00 H new ATOM 0 HA SER A 78 -0.330 11.561 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.477 13.534 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.138 13.084 1.834 1.00 0.00 H new ATOM 0 HG SER A 78 -3.956 12.386 2.760 1.00 0.00 H new ATOM 851 N LYS A 79 -1.586 10.535 5.111 1.00 0.00 N ATOM 852 CA LYS A 79 -1.260 10.192 6.491 1.00 0.00 C ATOM 853 C LYS A 79 -0.032 9.291 6.548 1.00 0.00 C ATOM 854 O LYS A 79 0.810 9.424 7.437 1.00 0.00 O ATOM 855 CB LYS A 79 -2.453 9.498 7.157 1.00 0.00 C ATOM 856 CG LYS A 79 -3.741 10.307 7.114 1.00 0.00 C ATOM 857 CD LYS A 79 -3.598 11.637 7.838 1.00 0.00 C ATOM 858 CE LYS A 79 -4.895 12.436 7.815 1.00 0.00 C ATOM 859 NZ LYS A 79 -6.007 11.724 8.506 1.00 0.00 N ATOM 0 H LYS A 79 -2.519 10.245 4.818 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.037 11.113 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.622 8.539 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.203 9.286 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.023 10.487 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.547 9.731 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.299 11.458 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.803 12.220 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.733 13.403 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.179 12.634 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.804 12.377 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.317 10.919 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.677 11.378 9.430 1.00 0.00 H new ATOM 872 N VAL A 80 0.072 8.385 5.581 1.00 0.00 N ATOM 873 CA VAL A 80 1.200 7.466 5.507 1.00 0.00 C ATOM 874 C VAL A 80 2.482 8.222 5.191 1.00 0.00 C ATOM 875 O VAL A 80 3.481 8.093 5.900 1.00 0.00 O ATOM 876 CB VAL A 80 0.973 6.368 4.441 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.207 5.486 4.289 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.243 5.523 4.793 1.00 0.00 C ATOM 0 H VAL A 80 -0.614 8.268 4.836 1.00 0.00 H new ATOM 0 HA VAL A 80 1.290 6.985 6.481 1.00 0.00 H new ATOM 0 HB VAL A 80 0.790 6.861 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.018 4.723 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.056 6.098 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.430 5.005 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.386 4.756 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.088 5.048 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.127 6.159 4.838 1.00 0.00 H new ATOM 888 N CYS A 81 2.441 9.028 4.137 1.00 0.00 N ATOM 889 CA CYS A 81 3.604 9.804 3.729 1.00 0.00 C ATOM 890 C CYS A 81 4.026 10.767 4.830 1.00 0.00 C ATOM 891 O CYS A 81 5.212 10.905 5.121 1.00 0.00 O ATOM 892 CB CYS A 81 3.311 10.575 2.439 1.00 0.00 C ATOM 893 SG CYS A 81 2.761 9.522 1.058 1.00 0.00 S ATOM 0 H CYS A 81 1.617 9.161 3.551 1.00 0.00 H new ATOM 0 HA CYS A 81 4.424 9.110 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.544 11.323 2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.209 11.113 2.137 1.00 0.00 H new ATOM 898 N GLN A 82 3.051 11.414 5.466 1.00 0.00 N ATOM 899 CA GLN A 82 3.340 12.372 6.521 1.00 0.00 C ATOM 900 C GLN A 82 3.961 11.671 7.724 1.00 0.00 C ATOM 901 O GLN A 82 4.849 12.219 8.378 1.00 0.00 O ATOM 902 CB GLN A 82 2.076 13.128 6.934 1.00 0.00 C ATOM 903 CG GLN A 82 2.327 14.224 7.964 1.00 0.00 C ATOM 904 CD GLN A 82 3.371 15.227 7.511 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.054 16.226 6.868 1.00 0.00 O ATOM 906 NE2 GLN A 82 4.623 14.968 7.855 1.00 0.00 N ATOM 0 H GLN A 82 2.058 11.290 5.267 1.00 0.00 H new ATOM 0 HA GLN A 82 4.057 13.096 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.623 13.572 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.355 12.418 7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.392 14.746 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.649 13.769 8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.842 14.127 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.369 15.610 7.586 1.00 0.00 H new ATOM 915 N ARG A 83 3.512 10.453 8.001 1.00 0.00 N ATOM 916 CA ARG A 83 4.074 9.669 9.096 1.00 0.00 C ATOM 917 C ARG A 83 5.520 9.292 8.782 1.00 0.00 C ATOM 918 O ARG A 83 6.335 9.097 9.684 1.00 0.00 O ATOM 919 CB ARG A 83 3.240 8.408 9.340 1.00 0.00 C ATOM 920 CG ARG A 83 2.860 8.194 10.797 1.00 0.00 C ATOM 921 CD ARG A 83 4.080 7.985 11.683 1.00 0.00 C ATOM 922 NE ARG A 83 3.720 7.878 13.092 1.00 0.00 N ATOM 923 CZ ARG A 83 4.290 8.596 14.056 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.249 9.460 13.765 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.896 8.461 15.309 1.00 0.00 N ATOM 0 H ARG A 83 2.764 9.988 7.486 1.00 0.00 H new ATOM 0 HA ARG A 83 4.054 10.275 10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.331 8.464 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.799 7.541 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.297 9.056 11.154 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.203 7.328 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.603 7.080 11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.773 8.816 11.548 1.00 0.00 H new ATOM 0 HE ARG A 83 2.990 7.215 13.353 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.554 9.577 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.684 10.009 14.507 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.151 7.804 15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.336 9.014 16.044 1.00 0.00 H new ATOM 938 N LEU A 84 5.832 9.202 7.494 1.00 0.00 N ATOM 939 CA LEU A 84 7.190 8.908 7.050 1.00 0.00 C ATOM 940 C LEU A 84 8.007 10.191 6.909 1.00 0.00 C ATOM 941 O LEU A 84 9.168 10.152 6.499 1.00 0.00 O ATOM 942 CB LEU A 84 7.162 8.164 5.714 1.00 0.00 C ATOM 943 CG LEU A 84 6.436 6.818 5.731 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.385 6.223 4.333 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.110 5.855 6.697 1.00 0.00 C ATOM 0 H LEU A 84 5.161 9.329 6.737 1.00 0.00 H new ATOM 0 HA LEU A 84 7.662 8.276 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.688 8.804 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.189 8.000 5.386 1.00 0.00 H new ATOM 0 HG LEU A 84 5.414 6.985 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.865 5.266 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.854 6.903 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.400 6.073 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.578 4.904 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.143 5.694 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.093 6.277 7.702 1.00 0.00 H new ATOM 957 N ASN A 85 7.386 11.319 7.262 1.00 0.00 N ATOM 958 CA ASN A 85 8.009 12.645 7.170 1.00 0.00 C ATOM 959 C ASN A 85 8.206 13.050 5.705 1.00 0.00 C ATOM 960 O ASN A 85 9.257 13.561 5.311 1.00 0.00 O ATOM 961 CB ASN A 85 9.339 12.689 7.935 1.00 0.00 C ATOM 962 CG ASN A 85 9.875 14.100 8.106 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.113 15.064 8.189 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.189 14.229 8.158 1.00 0.00 N ATOM 0 H ASN A 85 6.432 11.340 7.622 1.00 0.00 H new ATOM 0 HA ASN A 85 7.336 13.365 7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.203 12.236 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.077 12.087 7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.607 15.153 8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.786 13.405 8.085 1.00 0.00 H new ATOM 971 N CYS A 86 7.184 12.806 4.901 1.00 0.00 N ATOM 972 CA CYS A 86 7.183 13.210 3.505 1.00 0.00 C ATOM 973 C CYS A 86 5.853 13.871 3.160 1.00 0.00 C ATOM 974 O CYS A 86 4.861 13.674 3.859 1.00 0.00 O ATOM 975 CB CYS A 86 7.450 12.000 2.603 1.00 0.00 C ATOM 976 SG CYS A 86 9.141 11.329 2.767 1.00 0.00 S ATOM 0 H CYS A 86 6.335 12.324 5.196 1.00 0.00 H new ATOM 0 HA CYS A 86 7.980 13.935 3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.732 11.215 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.280 12.286 1.565 1.00 0.00 H new ATOM 981 N GLY A 87 5.842 14.656 2.093 1.00 0.00 N ATOM 982 CA GLY A 87 4.668 15.432 1.751 1.00 0.00 C ATOM 983 C GLY A 87 3.623 14.656 0.968 1.00 0.00 C ATOM 984 O GLY A 87 3.620 13.423 0.964 1.00 0.00 O ATOM 0 H GLY A 87 6.630 14.770 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.215 15.810 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.975 16.299 1.167 1.00 0.00 H new ATOM 988 N ASP A 88 2.760 15.401 0.281 1.00 0.00 N ATOM 989 CA ASP A 88 1.607 14.844 -0.431 1.00 0.00 C ATOM 990 C ASP A 88 2.014 13.772 -1.438 1.00 0.00 C ATOM 991 O ASP A 88 3.048 13.881 -2.104 1.00 0.00 O ATOM 992 CB ASP A 88 0.846 15.973 -1.143 1.00 0.00 C ATOM 993 CG ASP A 88 -0.339 15.487 -1.965 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.385 15.146 -1.377 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.226 15.455 -3.210 1.00 0.00 O ATOM 0 H ASP A 88 2.840 16.415 0.201 1.00 0.00 H new ATOM 0 HA ASP A 88 0.961 14.367 0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.493 16.687 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.535 16.508 -1.796 1.00 0.00 H new ATOM 1000 N PRO A 89 1.208 12.705 -1.527 1.00 0.00 N ATOM 1001 CA PRO A 89 1.407 11.626 -2.490 1.00 0.00 C ATOM 1002 C PRO A 89 1.267 12.108 -3.931 1.00 0.00 C ATOM 1003 O PRO A 89 0.168 12.418 -4.393 1.00 0.00 O ATOM 1004 CB PRO A 89 0.298 10.618 -2.164 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.225 11.007 -0.823 1.00 0.00 C ATOM 1006 CD PRO A 89 0.034 12.475 -0.677 1.00 0.00 C ATOM 0 HA PRO A 89 2.410 11.207 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.491 10.649 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.687 9.600 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.290 10.791 -0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.274 10.444 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.820 13.067 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.231 12.746 0.360 1.00 0.00 H new ATOM 1014 N LEU A 90 2.388 12.156 -4.630 1.00 0.00 N ATOM 1015 CA LEU A 90 2.422 12.584 -6.021 1.00 0.00 C ATOM 1016 C LEU A 90 1.766 11.544 -6.918 1.00 0.00 C ATOM 1017 O LEU A 90 1.162 11.879 -7.936 1.00 0.00 O ATOM 1018 CB LEU A 90 3.872 12.805 -6.463 1.00 0.00 C ATOM 1019 CG LEU A 90 4.639 13.885 -5.691 1.00 0.00 C ATOM 1020 CD1 LEU A 90 6.094 13.924 -6.132 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.993 15.250 -5.884 1.00 0.00 C ATOM 0 H LEU A 90 3.300 11.900 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 90 1.869 13.519 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.411 11.862 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.875 13.067 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 90 4.602 13.634 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.623 14.696 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.558 12.956 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.145 14.147 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.554 16.000 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.996 15.507 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.966 15.221 -5.520 1.00 0.00 H new ATOM 1033 N SER A 91 1.891 10.282 -6.526 1.00 0.00 N ATOM 1034 CA SER A 91 1.342 9.175 -7.295 1.00 0.00 C ATOM 1035 C SER A 91 0.920 8.044 -6.364 1.00 0.00 C ATOM 1036 O SER A 91 1.581 7.784 -5.355 1.00 0.00 O ATOM 1037 CB SER A 91 2.377 8.655 -8.300 1.00 0.00 C ATOM 1038 OG SER A 91 2.797 9.672 -9.194 1.00 0.00 O ATOM 0 H SER A 91 2.372 10.000 -5.672 1.00 0.00 H new ATOM 0 HA SER A 91 0.469 9.536 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.241 8.263 -7.763 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.951 7.827 -8.866 1.00 0.00 H new ATOM 0 HG SER A 91 3.457 9.306 -9.819 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.177 7.381 -6.704 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.669 6.252 -5.924 1.00 0.00 C ATOM 1046 C LEU A 92 -1.444 5.306 -6.831 1.00 0.00 C ATOM 1047 O LEU A 92 -2.471 5.678 -7.399 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.565 6.740 -4.772 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.842 5.716 -3.655 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.438 6.411 -2.447 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.783 4.613 -4.121 1.00 0.00 C ATOM 0 H LEU A 92 -0.746 7.607 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 92 0.181 5.722 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.102 7.620 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.519 7.060 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.890 5.259 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.630 5.678 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.740 7.162 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.374 6.893 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.953 3.911 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.733 5.051 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.337 4.087 -4.965 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.954 4.086 -6.963 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.626 3.110 -7.795 1.00 0.00 C ATOM 1065 C GLY A 93 -0.711 1.967 -8.172 1.00 0.00 C ATOM 1066 O GLY A 93 0.409 1.894 -7.675 1.00 0.00 O ATOM 0 H GLY A 93 -0.103 3.752 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.496 2.720 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.993 3.595 -8.699 1.00 0.00 H new ATOM 1070 N PRO A 94 -1.162 1.056 -9.048 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.357 -0.089 -9.496 1.00 0.00 C ATOM 1072 C PRO A 94 1.013 0.333 -10.024 1.00 0.00 C ATOM 1073 O PRO A 94 1.107 1.136 -10.956 1.00 0.00 O ATOM 1074 CB PRO A 94 -1.203 -0.689 -10.621 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.596 -0.303 -10.280 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.500 1.064 -9.668 1.00 0.00 C ATOM 0 HA PRO A 94 -0.144 -0.783 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.908 -0.295 -11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.091 -1.772 -10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.228 -0.291 -11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.040 -1.014 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.593 1.849 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.285 1.233 -8.931 1.00 0.00 H new ATOM 1084 N PHE A 95 2.067 -0.202 -9.421 1.00 0.00 N ATOM 1085 CA PHE A 95 3.426 0.153 -9.792 1.00 0.00 C ATOM 1086 C PHE A 95 4.301 -1.096 -9.888 1.00 0.00 C ATOM 1087 O PHE A 95 4.763 -1.620 -8.871 1.00 0.00 O ATOM 1088 CB PHE A 95 3.997 1.136 -8.763 1.00 0.00 C ATOM 1089 CG PHE A 95 5.399 1.601 -9.056 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.637 2.570 -10.018 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.477 1.074 -8.360 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.923 3.002 -10.281 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.764 1.502 -8.620 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.988 2.468 -9.581 1.00 0.00 C ATOM 0 H PHE A 95 2.003 -0.887 -8.668 1.00 0.00 H new ATOM 0 HA PHE A 95 3.415 0.630 -10.772 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.343 2.006 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.982 0.664 -7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.809 2.992 -10.568 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.308 0.320 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.096 3.757 -11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.594 1.082 -8.072 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.993 2.805 -9.785 1.00 0.00 H new ATOM 1104 N LEU A 96 4.497 -1.572 -11.118 1.00 0.00 N ATOM 1105 CA LEU A 96 5.368 -2.717 -11.401 1.00 0.00 C ATOM 1106 C LEU A 96 4.846 -4.010 -10.772 1.00 0.00 C ATOM 1107 O LEU A 96 3.757 -4.051 -10.190 1.00 0.00 O ATOM 1108 CB LEU A 96 6.799 -2.442 -10.919 1.00 0.00 C ATOM 1109 CG LEU A 96 7.512 -1.282 -11.622 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.929 -1.122 -11.089 1.00 0.00 C ATOM 1111 CD2 LEU A 96 7.532 -1.499 -13.128 1.00 0.00 C ATOM 0 H LEU A 96 4.057 -1.175 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 96 5.371 -2.852 -12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.772 -2.236 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.391 -3.347 -11.054 1.00 0.00 H new ATOM 0 HG LEU A 96 6.960 -0.366 -11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.419 -0.293 -11.601 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.894 -0.918 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.490 -2.040 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.042 -0.665 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.058 -2.426 -13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.509 -1.562 -13.500 1.00 0.00 H new ATOM 1123 N LYS A 97 5.628 -5.077 -10.915 1.00 0.00 N ATOM 1124 CA LYS A 97 5.262 -6.376 -10.367 1.00 0.00 C ATOM 1125 C LYS A 97 6.430 -6.976 -9.601 1.00 0.00 C ATOM 1126 O LYS A 97 6.763 -8.148 -9.776 1.00 0.00 O ATOM 1127 CB LYS A 97 4.844 -7.351 -11.471 1.00 0.00 C ATOM 1128 CG LYS A 97 3.703 -6.871 -12.350 1.00 0.00 C ATOM 1129 CD LYS A 97 3.227 -7.976 -13.282 1.00 0.00 C ATOM 1130 CE LYS A 97 4.384 -8.618 -14.038 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.135 -7.627 -14.857 1.00 0.00 N ATOM 0 H LYS A 97 6.521 -5.065 -11.407 1.00 0.00 H new ATOM 0 HA LYS A 97 4.418 -6.218 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.709 -7.554 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.556 -8.296 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.875 -6.536 -11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.028 -6.012 -12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.703 -8.738 -12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.510 -7.567 -13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.063 -9.090 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.001 -9.407 -14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.824 -8.124 -15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.471 -7.098 -15.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.635 -6.966 -14.229 1.00 0.00 H new ATOM 1144 N THR A 98 7.057 -6.173 -8.759 1.00 0.00 N ATOM 1145 CA THR A 98 8.168 -6.650 -7.948 1.00 0.00 C ATOM 1146 C THR A 98 7.643 -7.336 -6.686 1.00 0.00 C ATOM 1147 O THR A 98 8.409 -7.709 -5.797 1.00 0.00 O ATOM 1148 CB THR A 98 9.101 -5.488 -7.557 1.00 0.00 C ATOM 1149 OG1 THR A 98 9.170 -4.538 -8.632 1.00 0.00 O ATOM 1150 CG2 THR A 98 10.504 -5.992 -7.238 1.00 0.00 C ATOM 0 H THR A 98 6.818 -5.191 -8.618 1.00 0.00 H new ATOM 0 HA THR A 98 8.736 -7.368 -8.540 1.00 0.00 H new ATOM 0 HB THR A 98 8.693 -5.012 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.769 -3.691 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.140 -5.150 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.458 -6.696 -6.407 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.919 -6.492 -8.113 1.00 0.00 H new ATOM 1158 N TYR A 99 6.325 -7.495 -6.635 1.00 0.00 N ATOM 1159 CA TYR A 99 5.649 -8.110 -5.501 1.00 0.00 C ATOM 1160 C TYR A 99 6.238 -9.479 -5.181 1.00 0.00 C ATOM 1161 O TYR A 99 6.412 -10.321 -6.064 1.00 0.00 O ATOM 1162 CB TYR A 99 4.135 -8.247 -5.776 1.00 0.00 C ATOM 1163 CG TYR A 99 3.774 -9.294 -6.823 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.881 -9.024 -8.184 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.335 -10.562 -6.445 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.562 -9.979 -9.133 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.017 -11.522 -7.388 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.132 -11.226 -8.732 1.00 0.00 C ATOM 1169 OH TYR A 99 2.819 -12.180 -9.675 1.00 0.00 O ATOM 0 H TYR A 99 5.695 -7.200 -7.381 1.00 0.00 H new ATOM 0 HA TYR A 99 5.798 -7.459 -4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.630 -8.496 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.749 -7.280 -6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.220 -8.050 -8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.241 -10.799 -5.395 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.650 -9.748 -10.184 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.680 -12.499 -7.075 1.00 0.00 H new ATOM 0 HH TYR A 99 1.911 -12.513 -9.515 1.00 0.00 H new ATOM 1179 N THR A 100 6.578 -9.683 -3.925 1.00 0.00 N ATOM 1180 CA THR A 100 6.948 -10.998 -3.457 1.00 0.00 C ATOM 1181 C THR A 100 5.674 -11.777 -3.156 1.00 0.00 C ATOM 1182 O THR A 100 4.947 -11.438 -2.225 1.00 0.00 O ATOM 1183 CB THR A 100 7.831 -10.917 -2.195 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.920 -10.013 -2.429 1.00 0.00 O ATOM 1185 CG2 THR A 100 8.377 -12.289 -1.827 1.00 0.00 C ATOM 0 H THR A 100 6.605 -8.954 -3.212 1.00 0.00 H new ATOM 0 HA THR A 100 7.529 -11.502 -4.229 1.00 0.00 H new ATOM 0 HB THR A 100 7.221 -10.555 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.480 -9.960 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.997 -12.206 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.549 -12.970 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.978 -12.675 -2.651 1.00 0.00 H new ATOM 1193 N PRO A 101 5.371 -12.808 -3.960 1.00 0.00 N ATOM 1194 CA PRO A 101 4.100 -13.540 -3.877 1.00 0.00 C ATOM 1195 C PRO A 101 3.838 -14.138 -2.495 1.00 0.00 C ATOM 1196 O PRO A 101 2.694 -14.367 -2.118 1.00 0.00 O ATOM 1197 CB PRO A 101 4.235 -14.646 -4.934 1.00 0.00 C ATOM 1198 CG PRO A 101 5.691 -14.718 -5.252 1.00 0.00 C ATOM 1199 CD PRO A 101 6.242 -13.342 -5.020 1.00 0.00 C ATOM 0 HA PRO A 101 3.253 -12.876 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.869 -15.599 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.650 -14.412 -5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.192 -15.449 -4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.848 -15.031 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.286 -13.373 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.198 -12.733 -5.923 1.00 0.00 H new ATOM 1207 N GLN A 102 4.901 -14.372 -1.737 1.00 0.00 N ATOM 1208 CA GLN A 102 4.768 -14.932 -0.394 1.00 0.00 C ATOM 1209 C GLN A 102 4.558 -13.829 0.642 1.00 0.00 C ATOM 1210 O GLN A 102 4.071 -14.085 1.744 1.00 0.00 O ATOM 1211 CB GLN A 102 6.004 -15.753 -0.015 1.00 0.00 C ATOM 1212 CG GLN A 102 6.126 -17.102 -0.717 1.00 0.00 C ATOM 1213 CD GLN A 102 6.339 -16.998 -2.216 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.267 -17.118 -2.984 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 7.467 -16.853 -2.685 1.00 0.00 N flip ATOM 0 H GLN A 102 5.861 -14.185 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 102 3.895 -15.585 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.894 -15.164 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.993 -15.921 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.957 -17.654 -0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.223 -17.682 -0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.270 -16.764 -2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.599 -16.822 -3.696 1.00 0.00 H new ATOM 1224 N SER A 103 4.913 -12.602 0.281 1.00 0.00 N ATOM 1225 CA SER A 103 4.891 -11.494 1.228 1.00 0.00 C ATOM 1226 C SER A 103 3.771 -10.501 0.910 1.00 0.00 C ATOM 1227 O SER A 103 3.527 -9.562 1.671 1.00 0.00 O ATOM 1228 CB SER A 103 6.242 -10.775 1.205 1.00 0.00 C ATOM 1229 OG SER A 103 7.311 -11.700 1.327 1.00 0.00 O ATOM 0 H SER A 103 5.219 -12.349 -0.659 1.00 0.00 H new ATOM 0 HA SER A 103 4.702 -11.902 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.345 -10.215 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.287 -10.052 2.019 1.00 0.00 H new ATOM 0 HG SER A 103 8.164 -11.218 1.308 1.00 0.00 H new ATOM 1235 N SER A 104 3.091 -10.710 -0.208 1.00 0.00 N ATOM 1236 CA SER A 104 2.038 -9.803 -0.635 1.00 0.00 C ATOM 1237 C SER A 104 0.665 -10.334 -0.225 1.00 0.00 C ATOM 1238 O SER A 104 0.421 -11.544 -0.239 1.00 0.00 O ATOM 1239 CB SER A 104 2.113 -9.592 -2.151 1.00 0.00 C ATOM 1240 OG SER A 104 2.338 -10.818 -2.825 1.00 0.00 O ATOM 0 H SER A 104 3.250 -11.499 -0.835 1.00 0.00 H new ATOM 0 HA SER A 104 2.182 -8.842 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.185 -9.143 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.915 -8.892 -2.385 1.00 0.00 H new ATOM 0 HG SER A 104 3.282 -11.067 -2.744 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.221 -9.426 0.157 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.558 -9.800 0.590 1.00 0.00 C ATOM 1248 C ILE A 105 -2.626 -9.116 -0.250 1.00 0.00 C ATOM 1249 O ILE A 105 -2.395 -8.060 -0.847 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.812 -9.450 2.077 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.574 -7.954 2.321 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.943 -10.306 2.991 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.902 -7.498 3.725 1.00 0.00 C ATOM 0 H ILE A 105 -0.037 -8.423 0.176 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.620 -10.881 0.462 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.853 -9.669 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.530 -7.724 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.175 -7.381 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.139 -10.043 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.176 -11.359 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.108 -10.129 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.707 -6.429 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.954 -7.694 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.282 -8.042 4.438 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.791 -9.735 -0.285 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.966 -9.155 -0.903 1.00 0.00 C ATOM 1267 C ILE A 106 -6.019 -8.942 0.174 1.00 0.00 C ATOM 1268 O ILE A 106 -6.449 -9.891 0.834 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.525 -10.047 -2.039 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.606 -9.973 -3.260 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.946 -9.634 -2.411 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.041 -10.856 -4.412 1.00 0.00 C ATOM 0 H ILE A 106 -3.949 -10.659 0.117 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.691 -8.204 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.560 -11.077 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.559 -8.940 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.597 -10.255 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.314 -10.277 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.593 -9.732 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.947 -8.598 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.339 -10.748 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.060 -11.896 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.037 -10.561 -4.741 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.399 -7.697 0.383 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.316 -7.365 1.458 1.00 0.00 C ATOM 1286 C CYS A 107 -8.701 -7.051 0.909 1.00 0.00 C ATOM 1287 O CYS A 107 -8.851 -6.702 -0.264 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.779 -6.185 2.270 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.532 -6.023 3.919 1.00 0.00 S ATOM 0 H CYS A 107 -6.089 -6.901 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.400 -8.230 2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.700 -6.295 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.949 -5.265 1.711 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.708 -7.189 1.759 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.086 -6.966 1.363 1.00 0.00 C ATOM 1296 C TYR A 108 -11.726 -5.920 2.270 1.00 0.00 C ATOM 1297 O TYR A 108 -11.284 -5.717 3.404 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.877 -8.277 1.432 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.254 -9.417 0.650 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.393 -9.496 -0.730 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.528 -10.416 1.293 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.830 -10.536 -1.446 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.963 -11.458 0.582 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.117 -11.513 -0.786 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.559 -12.554 -1.496 1.00 0.00 O ATOM 0 H TYR A 108 -9.592 -7.457 2.736 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.102 -6.602 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.973 -8.576 2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.885 -8.101 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.950 -8.732 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.404 -10.376 2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.949 -10.582 -2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.404 -12.225 1.096 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.089 -13.155 -0.881 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.755 -5.256 1.767 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.435 -4.243 2.546 1.00 0.00 C ATOM 1317 C GLY A 109 -13.383 -2.879 1.889 1.00 0.00 C ATOM 1318 O GLY A 109 -13.501 -2.767 0.667 1.00 0.00 O ATOM 0 H GLY A 109 -13.132 -5.401 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.475 -4.535 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.982 -4.184 3.536 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.198 -1.844 2.696 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.147 -0.479 2.195 1.00 0.00 C ATOM 1324 C GLN A 110 -11.704 -0.086 1.881 1.00 0.00 C ATOM 1325 O GLN A 110 -10.775 -0.515 2.566 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.753 0.480 3.225 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.835 1.922 2.744 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.634 2.065 1.463 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.086 1.980 0.363 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.932 2.281 1.596 1.00 0.00 N ATOM 0 H GLN A 110 -13.080 -1.925 3.706 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.729 -0.416 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.754 0.135 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.157 0.444 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.290 2.535 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.827 2.306 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.346 2.345 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.519 2.384 0.768 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.538 0.731 0.843 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.222 1.136 0.355 1.00 0.00 C ATOM 1341 C LEU A 111 -9.366 1.740 1.467 1.00 0.00 C ATOM 1342 O LEU A 111 -9.617 2.854 1.928 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.378 2.149 -0.788 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.073 2.723 -1.357 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.277 1.651 -2.090 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.364 3.899 -2.281 1.00 0.00 C ATOM 0 H LEU A 111 -12.314 1.131 0.316 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.714 0.243 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.926 1.670 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.992 2.977 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.469 3.079 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.358 2.085 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.031 0.844 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.872 1.255 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.427 4.293 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.993 3.566 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.880 4.681 -1.724 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.357 0.992 1.892 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.446 1.479 2.905 1.00 0.00 C ATOM 1360 C GLY A 112 -7.706 0.878 4.270 1.00 0.00 C ATOM 1361 O GLY A 112 -6.978 1.156 5.223 1.00 0.00 O ATOM 0 H GLY A 112 -8.154 0.053 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.423 1.255 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.529 2.564 2.970 1.00 0.00 H new ATOM 1365 N SER A 113 -8.745 0.061 4.372 1.00 0.00 N ATOM 1366 CA SER A 113 -9.075 -0.592 5.625 1.00 0.00 C ATOM 1367 C SER A 113 -8.615 -2.045 5.599 1.00 0.00 C ATOM 1368 O SER A 113 -9.138 -2.862 4.839 1.00 0.00 O ATOM 1369 CB SER A 113 -10.580 -0.516 5.885 1.00 0.00 C ATOM 1370 OG SER A 113 -10.895 -0.954 7.195 1.00 0.00 O ATOM 0 H SER A 113 -9.373 -0.164 3.600 1.00 0.00 H new ATOM 0 HA SER A 113 -8.557 -0.076 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.924 0.509 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.109 -1.130 5.156 1.00 0.00 H new ATOM 0 HG SER A 113 -10.316 -0.497 7.841 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.636 -2.361 6.432 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.084 -3.707 6.491 1.00 0.00 C ATOM 1378 C PHE A 114 -7.804 -4.523 7.557 1.00 0.00 C ATOM 1379 O PHE A 114 -7.177 -5.157 8.406 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.577 -3.654 6.778 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.783 -2.960 5.703 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.561 -1.592 5.760 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.260 -3.673 4.635 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.837 -0.950 4.775 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.535 -3.035 3.647 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.322 -1.673 3.718 1.00 0.00 C ATOM 0 H PHE A 114 -7.205 -1.701 7.080 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.232 -4.190 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.414 -3.142 7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.202 -4.671 6.896 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.960 -1.021 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.421 -4.739 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.674 0.116 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.135 -3.602 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.753 -1.174 2.948 1.00 0.00 H new ATOM 1396 N SER A 115 -9.128 -4.496 7.502 1.00 0.00 N ATOM 1397 CA SER A 115 -9.954 -5.181 8.486 1.00 0.00 C ATOM 1398 C SER A 115 -9.995 -6.687 8.223 1.00 0.00 C ATOM 1399 O SER A 115 -10.121 -7.486 9.151 1.00 0.00 O ATOM 1400 CB SER A 115 -11.374 -4.606 8.474 1.00 0.00 C ATOM 1401 OG SER A 115 -11.368 -3.213 8.752 1.00 0.00 O ATOM 0 H SER A 115 -9.656 -4.004 6.781 1.00 0.00 H new ATOM 0 HA SER A 115 -9.510 -5.021 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.832 -4.783 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.985 -5.124 9.213 1.00 0.00 H new ATOM 0 HG SER A 115 -11.137 -2.718 7.938 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.885 -7.071 6.958 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.930 -8.477 6.576 1.00 0.00 C ATOM 1409 C ASN A 116 -9.070 -8.714 5.343 1.00 0.00 C ATOM 1410 O ASN A 116 -9.501 -8.473 4.217 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.374 -8.913 6.301 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.491 -10.397 5.994 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.392 -10.817 4.843 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.719 -11.201 7.020 1.00 0.00 N ATOM 0 H ASN A 116 -9.764 -6.427 6.177 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.538 -9.072 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.992 -8.676 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.768 -8.340 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.819 -12.205 6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.795 -10.817 7.962 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.847 -9.166 5.555 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.923 -9.383 4.455 1.00 0.00 C ATOM 1423 C CYS A 117 -6.442 -10.828 4.458 1.00 0.00 C ATOM 1424 O CYS A 117 -6.492 -11.502 5.488 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.724 -8.433 4.563 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.123 -6.761 5.186 1.00 0.00 S ATOM 0 H CYS A 117 -7.471 -9.390 6.476 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.444 -9.180 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.980 -8.883 5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.264 -8.339 3.580 1.00 0.00 H new ATOM 1431 N SER A 118 -5.996 -11.312 3.309 1.00 0.00 N ATOM 1432 CA SER A 118 -5.494 -12.672 3.203 1.00 0.00 C ATOM 1433 C SER A 118 -4.318 -12.742 2.236 1.00 0.00 C ATOM 1434 O SER A 118 -3.968 -11.749 1.598 1.00 0.00 O ATOM 1435 CB SER A 118 -6.608 -13.602 2.726 1.00 0.00 C ATOM 1436 OG SER A 118 -7.733 -13.546 3.588 1.00 0.00 O ATOM 0 H SER A 118 -5.972 -10.783 2.437 1.00 0.00 H new ATOM 0 HA SER A 118 -5.152 -12.989 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.908 -13.325 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.235 -14.625 2.678 1.00 0.00 H new ATOM 0 HG SER A 118 -8.430 -14.150 3.256 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.711 -13.917 2.140 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.633 -14.164 1.186 1.00 0.00 C ATOM 1444 C HIS A 119 -3.145 -13.937 -0.237 1.00 0.00 C ATOM 1445 O HIS A 119 -4.319 -14.194 -0.520 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.127 -15.603 1.358 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.917 -15.942 0.541 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.806 -16.486 -0.695 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.372 -15.753 0.990 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 0.533 -16.614 -0.965 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 1.222 -16.163 0.068 1.00 0.00 N flip ATOM 0 H HIS A 119 -3.949 -14.724 2.717 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.808 -13.476 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.897 -15.770 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.931 -16.291 1.095 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.575 -16.751 -1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.644 -15.334 1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.955 -17.018 -1.874 1.00 0.00 H new ATOM 1459 N SER A 120 -2.273 -13.429 -1.113 1.00 0.00 N ATOM 1460 CA SER A 120 -2.643 -13.157 -2.499 1.00 0.00 C ATOM 1461 C SER A 120 -3.261 -14.396 -3.137 1.00 0.00 C ATOM 1462 O SER A 120 -2.601 -15.424 -3.291 1.00 0.00 O ATOM 1463 CB SER A 120 -1.423 -12.695 -3.307 1.00 0.00 C ATOM 1464 OG SER A 120 -1.799 -12.322 -4.625 1.00 0.00 O ATOM 0 H SER A 120 -1.306 -13.199 -0.884 1.00 0.00 H new ATOM 0 HA SER A 120 -3.382 -12.355 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.949 -11.850 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.685 -13.496 -3.348 1.00 0.00 H new ATOM 0 HG SER A 120 -1.767 -13.108 -5.209 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.536 -14.292 -3.498 1.00 0.00 N ATOM 1471 CA ARG A 121 -5.287 -15.434 -4.000 1.00 0.00 C ATOM 1472 C ARG A 121 -5.110 -15.593 -5.509 1.00 0.00 C ATOM 1473 O ARG A 121 -5.569 -16.571 -6.097 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.770 -15.262 -3.656 1.00 0.00 C ATOM 1475 CG ARG A 121 -7.556 -16.564 -3.647 1.00 0.00 C ATOM 1476 CD ARG A 121 -7.069 -17.492 -2.549 1.00 0.00 C ATOM 1477 NE ARG A 121 -7.862 -18.714 -2.459 1.00 0.00 N ATOM 1478 CZ ARG A 121 -8.040 -19.392 -1.329 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -7.526 -18.941 -0.190 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -8.735 -20.518 -1.329 1.00 0.00 N ATOM 0 H ARG A 121 -5.071 -13.425 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.904 -16.336 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.853 -14.792 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -7.223 -14.581 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -8.615 -16.351 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -7.458 -17.058 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.026 -17.752 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -7.103 -16.969 -1.593 1.00 0.00 H new ATOM 0 HE ARG A 121 -8.303 -19.067 -3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.993 -18.072 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.665 -19.464 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -9.137 -20.869 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -8.869 -21.035 -0.460 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.427 -14.643 -6.131 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.258 -14.654 -7.579 1.00 0.00 C ATOM 1495 C ASN A 122 -2.774 -14.633 -7.933 1.00 0.00 C ATOM 1496 O ASN A 122 -1.958 -14.114 -7.167 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.960 -13.444 -8.205 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.221 -13.624 -9.690 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.340 -13.406 -10.518 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.439 -14.001 -10.038 1.00 0.00 N ATOM 0 H ASN A 122 -3.982 -13.856 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.706 -15.565 -7.975 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.906 -13.272 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.348 -12.555 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.674 -14.120 -11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -7.144 -14.173 -9.321 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.426 -15.207 -9.082 1.00 0.00 N ATOM 1508 CA ASP A 123 -1.039 -15.219 -9.544 1.00 0.00 C ATOM 1509 C ASP A 123 -0.595 -13.827 -9.968 1.00 0.00 C ATOM 1510 O ASP A 123 0.447 -13.337 -9.531 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.856 -16.188 -10.714 1.00 0.00 C ATOM 1512 CG ASP A 123 0.542 -16.125 -11.305 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.469 -16.719 -10.718 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.723 -15.493 -12.367 1.00 0.00 O ATOM 0 H ASP A 123 -3.084 -15.669 -9.710 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.422 -15.552 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.059 -17.204 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.586 -15.958 -11.490 1.00 0.00 H new ATOM 1519 N MET A 124 -1.388 -13.196 -10.820 1.00 0.00 N ATOM 1520 CA MET A 124 -1.060 -11.870 -11.314 1.00 0.00 C ATOM 1521 C MET A 124 -1.408 -10.821 -10.266 1.00 0.00 C ATOM 1522 O MET A 124 -2.500 -10.824 -9.696 1.00 0.00 O ATOM 1523 CB MET A 124 -1.776 -11.576 -12.642 1.00 0.00 C ATOM 1524 CG MET A 124 -3.286 -11.442 -12.536 1.00 0.00 C ATOM 1525 SD MET A 124 -4.075 -11.174 -14.135 1.00 0.00 S ATOM 1526 CE MET A 124 -3.647 -12.694 -14.984 1.00 0.00 C ATOM 0 H MET A 124 -2.261 -13.580 -11.182 1.00 0.00 H new ATOM 0 HA MET A 124 0.012 -11.832 -11.505 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.372 -10.654 -13.060 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.545 -12.374 -13.348 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.695 -12.343 -12.080 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.527 -10.611 -11.873 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.340 -12.857 -15.809 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.631 -12.620 -15.373 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.709 -13.530 -14.287 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.465 -9.941 -9.998 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.653 -8.906 -9.003 1.00 0.00 C ATOM 1538 C CYS A 125 0.203 -7.696 -9.336 1.00 0.00 C ATOM 1539 O CYS A 125 1.340 -7.830 -9.790 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.304 -9.436 -7.605 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.093 -8.138 -6.339 1.00 0.00 S ATOM 0 H CYS A 125 0.445 -9.923 -10.459 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.701 -8.606 -9.008 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.090 -10.118 -7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.616 -10.017 -7.669 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.361 -6.518 -9.149 1.00 0.00 N ATOM 1547 CA HIS A 126 0.390 -5.287 -9.307 1.00 0.00 C ATOM 1548 C HIS A 126 0.587 -4.651 -7.942 1.00 0.00 C ATOM 1549 O HIS A 126 -0.381 -4.434 -7.206 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.324 -4.317 -10.256 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.353 -4.776 -11.687 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.165 -4.208 -12.650 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.345 -5.751 -12.318 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.966 -4.816 -13.804 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.056 -5.755 -13.630 1.00 0.00 N ATOM 0 H HIS A 126 -1.338 -6.387 -8.887 1.00 0.00 H new ATOM 0 HA HIS A 126 1.360 -5.517 -9.749 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.348 -4.173 -9.910 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.169 -3.346 -10.206 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.080 -6.404 -11.871 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.464 -4.584 -14.734 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.293 -6.383 -14.354 1.00 0.00 H new ATOM 1563 N SER A 127 1.833 -4.389 -7.591 1.00 0.00 N ATOM 1564 CA SER A 127 2.156 -3.810 -6.300 1.00 0.00 C ATOM 1565 C SER A 127 1.541 -2.424 -6.171 1.00 0.00 C ATOM 1566 O SER A 127 1.505 -1.662 -7.140 1.00 0.00 O ATOM 1567 CB SER A 127 3.669 -3.723 -6.140 1.00 0.00 C ATOM 1568 OG SER A 127 4.277 -4.991 -6.337 1.00 0.00 O ATOM 0 H SER A 127 2.642 -4.569 -8.186 1.00 0.00 H new ATOM 0 HA SER A 127 1.746 -4.447 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.073 -3.007 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.912 -3.350 -5.145 1.00 0.00 H new ATOM 0 HG SER A 127 5.090 -4.884 -6.873 1.00 0.00 H new ATOM 1574 N LEU A 128 1.033 -2.106 -4.989 1.00 0.00 N ATOM 1575 CA LEU A 128 0.488 -0.782 -4.744 1.00 0.00 C ATOM 1576 C LEU A 128 1.642 0.202 -4.576 1.00 0.00 C ATOM 1577 O LEU A 128 2.322 0.209 -3.549 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.420 -0.793 -3.504 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.370 0.409 -3.357 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.507 0.065 -2.409 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.630 1.643 -2.854 1.00 0.00 C ATOM 0 H LEU A 128 0.988 -2.741 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 128 -0.124 -0.472 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.018 -1.704 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.210 -0.844 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.777 0.636 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.173 0.923 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.065 -0.785 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.100 -0.190 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.329 2.474 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.188 1.430 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.157 1.908 -3.560 1.00 0.00 H new ATOM 1593 N GLY A 129 1.870 1.003 -5.602 1.00 0.00 N ATOM 1594 CA GLY A 129 2.961 1.948 -5.580 1.00 0.00 C ATOM 1595 C GLY A 129 2.549 3.280 -5.005 1.00 0.00 C ATOM 1596 O GLY A 129 1.474 3.797 -5.318 1.00 0.00 O ATOM 0 H GLY A 129 1.313 1.015 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.782 1.539 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.335 2.092 -6.594 1.00 0.00 H new ATOM 1600 N LEU A 130 3.401 3.832 -4.161 1.00 0.00 N ATOM 1601 CA LEU A 130 3.130 5.107 -3.531 1.00 0.00 C ATOM 1602 C LEU A 130 4.345 6.022 -3.672 1.00 0.00 C ATOM 1603 O LEU A 130 5.452 5.674 -3.252 1.00 0.00 O ATOM 1604 CB LEU A 130 2.787 4.893 -2.053 1.00 0.00 C ATOM 1605 CG LEU A 130 2.412 6.156 -1.271 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.169 6.804 -1.860 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.195 5.828 0.200 1.00 0.00 C ATOM 0 H LEU A 130 4.292 3.412 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 130 2.279 5.580 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.958 4.188 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.641 4.425 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 130 3.237 6.864 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.920 7.699 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.358 7.076 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.336 6.102 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.929 6.737 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.389 5.100 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.111 5.412 0.619 1.00 0.00 H new ATOM 1619 N THR A 131 4.142 7.171 -4.291 1.00 0.00 N ATOM 1620 CA THR A 131 5.202 8.147 -4.462 1.00 0.00 C ATOM 1621 C THR A 131 4.889 9.394 -3.649 1.00 0.00 C ATOM 1622 O THR A 131 4.073 10.216 -4.055 1.00 0.00 O ATOM 1623 CB THR A 131 5.372 8.528 -5.947 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.606 7.346 -6.724 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.523 9.505 -6.138 1.00 0.00 C ATOM 0 H THR A 131 3.245 7.452 -4.686 1.00 0.00 H new ATOM 0 HA THR A 131 6.134 7.703 -4.112 1.00 0.00 H new ATOM 0 HB THR A 131 4.456 9.014 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.712 7.590 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.617 9.754 -7.195 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.328 10.413 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.449 9.049 -5.789 1.00 0.00 H new ATOM 1633 N CYS A 132 5.514 9.516 -2.492 1.00 0.00 N ATOM 1634 CA CYS A 132 5.293 10.664 -1.626 1.00 0.00 C ATOM 1635 C CYS A 132 6.283 11.771 -1.966 1.00 0.00 C ATOM 1636 O CYS A 132 7.359 11.507 -2.510 1.00 0.00 O ATOM 1637 CB CYS A 132 5.443 10.258 -0.157 1.00 0.00 C ATOM 1638 SG CYS A 132 4.489 8.774 0.299 1.00 0.00 S ATOM 0 H CYS A 132 6.180 8.834 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 132 4.280 11.033 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.497 10.080 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.127 11.089 0.474 1.00 0.00 H new ATOM 1643 N LEU A 133 5.912 13.008 -1.675 1.00 0.00 N ATOM 1644 CA LEU A 133 6.800 14.137 -1.898 1.00 0.00 C ATOM 1645 C LEU A 133 7.881 14.149 -0.815 1.00 0.00 C ATOM 1646 O LEU A 133 7.771 14.857 0.185 1.00 0.00 O ATOM 1647 CB LEU A 133 5.991 15.442 -1.892 1.00 0.00 C ATOM 1648 CG LEU A 133 6.555 16.590 -2.739 1.00 0.00 C ATOM 1649 CD1 LEU A 133 5.539 17.719 -2.822 1.00 0.00 C ATOM 1650 CD2 LEU A 133 7.877 17.105 -2.178 1.00 0.00 C ATOM 0 H LEU A 133 5.003 13.255 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 133 7.285 14.046 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.982 15.222 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.904 15.787 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 133 6.751 16.206 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 133 5.946 18.531 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.622 17.350 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.320 18.086 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.246 17.917 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.724 17.470 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.607 16.296 -2.166 1.00 0.00 H new ATOM 1662 N GLU A 134 8.904 13.324 -1.010 1.00 0.00 N ATOM 1663 CA GLU A 134 9.988 13.198 -0.047 1.00 0.00 C ATOM 1664 C GLU A 134 10.917 14.403 -0.120 1.00 0.00 C ATOM 1665 O GLU A 134 11.553 14.604 -1.172 1.00 0.00 O ATOM 1666 CB GLU A 134 10.769 11.887 -0.261 1.00 0.00 C ATOM 1667 CG GLU A 134 11.242 11.654 -1.689 1.00 0.00 C ATOM 1668 CD GLU A 134 12.029 10.369 -1.842 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.204 10.334 -1.416 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.484 9.390 -2.387 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.005 15.143 0.878 1.00 0.00 O ATOM 0 H GLU A 134 9.004 12.729 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 134 9.551 13.166 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.636 11.885 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.138 11.051 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.378 11.628 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.861 12.494 -2.004 1.00 0.00 H new