USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 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 : amide:sc= -1.04 K(o=-1.6,f=-6.2!) USER MOD Set 1.2: A 58 MET CE :methyl -109:sc= -0.727 (180deg=-1.28) USER MOD Set 1.3: A 98 THR OG1 : rot -100:sc= 0.0664 USER MOD Set 1.4: A 127 SER OG : rot -146:sc= 0.103 USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 0.0361 USER MOD Set 3.1: A 99 TYR OH : rot 180:sc= -0.0322 USER MOD Set 3.2: A 126 HIS : no HD1:sc= 0 X(o=-0.032,f=-0.032) USER MOD Set 4.1: A 70 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3.9!) USER MOD Set 4.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 42 SER OG : rot -167:sc= 1.25 USER MOD Set 5.2: A 45 GLN : amide:sc= -5.63! C(o=-4.4!,f=-6.4!) USER MOD Single : A 27 SER OG : rot 49:sc= 1.16 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.0529 USER MOD Single : A 34 GLN : amide:sc= 0.543 K(o=0.54,f=0) USER MOD Single : A 38 THR OG1 : rot 160:sc= 0.774 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0114 K(o=-0.011,f=-0.93) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= -0.406 (180deg=-0.641) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.153 (180deg=-0.854) USER MOD Single : A 57 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 61 SER OG : rot 160:sc= 0.473 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 63 SER OG : rot 93:sc= 2.08 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 68 SER OG : rot -57:sc= 0.656 USER MOD Single : A 69 LYS NZ :NH3+ -135:sc= -2.01! (180deg=-4.65!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.792 K(o=0.79,f=-0.17) USER MOD Single : A 78 SER OG : rot 70:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.95) USER MOD Single : A 85 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.079) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -86:sc= 0.819 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0019 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -0.744 K(o=-0.74,f=-3.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl 157:sc= -0.201 (180deg=-0.974) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.081 -1.345 10.442 1.00 0.00 N ATOM 24 CA LEU A 26 -6.726 -0.842 10.604 1.00 0.00 C ATOM 25 C LEU A 26 -6.479 0.246 9.574 1.00 0.00 C ATOM 26 O LEU A 26 -6.113 -0.033 8.439 1.00 0.00 O ATOM 27 CB LEU A 26 -5.696 -1.967 10.445 1.00 0.00 C ATOM 28 CG LEU A 26 -5.701 -3.034 11.540 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.605 -4.052 11.275 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.528 -2.403 12.917 1.00 0.00 C ATOM 0 HA LEU A 26 -6.617 -0.434 11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.866 -2.457 9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.702 -1.521 10.403 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.665 -3.542 11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.614 -4.809 12.059 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.776 -4.528 10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.637 -3.551 11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.535 -3.183 13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.580 -1.867 12.955 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.346 -1.707 13.104 1.00 0.00 H new ATOM 42 N SER A 27 -6.712 1.485 9.956 1.00 0.00 N ATOM 43 CA SER A 27 -6.597 2.581 9.016 1.00 0.00 C ATOM 44 C SER A 27 -5.447 3.492 9.418 1.00 0.00 C ATOM 45 O SER A 27 -4.968 3.445 10.551 1.00 0.00 O ATOM 46 CB SER A 27 -7.910 3.363 8.960 1.00 0.00 C ATOM 47 OG SER A 27 -7.949 4.211 7.828 1.00 0.00 O ATOM 0 H SER A 27 -6.980 1.757 10.902 1.00 0.00 H new ATOM 0 HA SER A 27 -6.391 2.181 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.750 2.669 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.022 3.957 9.867 1.00 0.00 H new ATOM 0 HG SER A 27 -7.696 3.702 7.029 1.00 0.00 H new ATOM 53 N TRP A 28 -5.015 4.333 8.490 1.00 0.00 N ATOM 54 CA TRP A 28 -3.877 5.210 8.726 1.00 0.00 C ATOM 55 C TRP A 28 -4.260 6.414 9.589 1.00 0.00 C ATOM 56 O TRP A 28 -3.508 7.383 9.694 1.00 0.00 O ATOM 57 CB TRP A 28 -3.254 5.658 7.399 1.00 0.00 C ATOM 58 CG TRP A 28 -4.245 6.124 6.369 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.164 7.125 6.502 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.395 5.620 5.034 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.888 7.259 5.342 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.434 6.349 4.426 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.758 4.617 4.295 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.848 6.110 3.118 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.170 4.384 2.994 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.205 5.127 2.418 1.00 0.00 C ATOM 0 H TRP A 28 -5.436 4.427 7.566 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.130 4.641 9.280 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.549 6.465 7.598 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.680 4.829 6.984 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.302 7.724 7.390 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.642 7.928 5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.960 4.035 4.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.649 6.681 2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.683 3.614 2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.502 4.920 1.400 1.00 0.00 H new ATOM 77 N TYR A 29 -5.434 6.337 10.204 1.00 0.00 N ATOM 78 CA TYR A 29 -5.869 7.341 11.162 1.00 0.00 C ATOM 79 C TYR A 29 -5.656 6.820 12.581 1.00 0.00 C ATOM 80 O TYR A 29 -5.788 7.563 13.555 1.00 0.00 O ATOM 81 CB TYR A 29 -7.347 7.692 10.949 1.00 0.00 C ATOM 82 CG TYR A 29 -7.685 8.060 9.521 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.397 9.322 9.013 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.287 7.138 8.679 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.702 9.649 7.704 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.598 7.455 7.371 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.304 8.712 6.886 1.00 0.00 C ATOM 88 OH TYR A 29 -8.592 9.025 5.573 1.00 0.00 O ATOM 0 H TYR A 29 -6.105 5.583 10.053 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.278 8.245 11.013 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.960 6.843 11.251 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.611 8.524 11.602 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.928 10.058 9.650 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.518 6.152 9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.471 10.633 7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.069 6.723 6.732 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.013 8.254 5.138 1.00 0.00 H new ATOM 98 N ASP A 30 -5.330 5.532 12.687 1.00 0.00 N ATOM 99 CA ASP A 30 -5.097 4.893 13.979 1.00 0.00 C ATOM 100 C ASP A 30 -3.694 5.206 14.484 1.00 0.00 C ATOM 101 O ASP A 30 -2.739 5.264 13.706 1.00 0.00 O ATOM 102 CB ASP A 30 -5.285 3.377 13.879 1.00 0.00 C ATOM 103 CG ASP A 30 -6.733 2.977 13.689 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.464 2.882 14.699 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.147 2.750 12.533 1.00 0.00 O ATOM 0 H ASP A 30 -5.221 4.908 11.887 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.826 5.290 14.686 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.695 2.996 13.045 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.899 2.907 14.783 1.00 0.00 H new ATOM 110 N PRO A 31 -3.557 5.398 15.804 1.00 0.00 N ATOM 111 CA PRO A 31 -2.311 5.865 16.424 1.00 0.00 C ATOM 112 C PRO A 31 -1.198 4.822 16.408 1.00 0.00 C ATOM 113 O PRO A 31 -0.019 5.167 16.456 1.00 0.00 O ATOM 114 CB PRO A 31 -2.730 6.178 17.864 1.00 0.00 C ATOM 115 CG PRO A 31 -3.908 5.305 18.118 1.00 0.00 C ATOM 116 CD PRO A 31 -4.621 5.174 16.801 1.00 0.00 C ATOM 0 HA PRO A 31 -1.893 6.714 15.884 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.923 5.966 18.565 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.986 7.231 17.981 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.597 4.329 18.492 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.561 5.742 18.873 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.075 4.190 16.688 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.421 5.907 16.704 1.00 0.00 H new ATOM 124 N ASP A 32 -1.572 3.553 16.339 1.00 0.00 N ATOM 125 CA ASP A 32 -0.595 2.471 16.356 1.00 0.00 C ATOM 126 C ASP A 32 -0.492 1.799 14.991 1.00 0.00 C ATOM 127 O ASP A 32 0.040 0.692 14.870 1.00 0.00 O ATOM 128 CB ASP A 32 -0.952 1.434 17.428 1.00 0.00 C ATOM 129 CG ASP A 32 -2.267 0.727 17.154 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.329 1.384 17.235 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.246 -0.494 16.884 1.00 0.00 O ATOM 0 H ASP A 32 -2.542 3.246 16.271 1.00 0.00 H new ATOM 0 HA ASP A 32 0.375 2.906 16.597 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.154 0.694 17.490 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.006 1.927 18.399 1.00 0.00 H new ATOM 136 N PHE A 33 -0.991 2.475 13.962 1.00 0.00 N ATOM 137 CA PHE A 33 -0.914 1.951 12.609 1.00 0.00 C ATOM 138 C PHE A 33 0.504 2.102 12.074 1.00 0.00 C ATOM 139 O PHE A 33 1.052 3.203 12.041 1.00 0.00 O ATOM 140 CB PHE A 33 -1.906 2.662 11.686 1.00 0.00 C ATOM 141 CG PHE A 33 -1.891 2.140 10.277 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.459 0.910 9.974 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.311 2.878 9.255 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.445 0.427 8.681 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.298 2.398 7.961 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.864 1.172 7.673 1.00 0.00 C ATOM 0 H PHE A 33 -1.450 3.382 14.041 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.177 0.893 12.636 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.911 2.555 12.094 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.679 3.728 11.673 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.917 0.325 10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.866 3.837 9.474 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.888 -0.532 8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.845 2.982 7.173 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.853 0.796 6.661 1.00 0.00 H new ATOM 156 N GLN A 34 1.087 0.992 11.661 1.00 0.00 N ATOM 157 CA GLN A 34 2.468 0.974 11.215 1.00 0.00 C ATOM 158 C GLN A 34 2.551 0.601 9.740 1.00 0.00 C ATOM 159 O GLN A 34 2.105 -0.474 9.335 1.00 0.00 O ATOM 160 CB GLN A 34 3.263 -0.015 12.070 1.00 0.00 C ATOM 161 CG GLN A 34 3.426 0.428 13.514 1.00 0.00 C ATOM 162 CD GLN A 34 3.517 -0.740 14.474 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.597 -1.269 14.735 1.00 0.00 O ATOM 164 NE2 GLN A 34 2.378 -1.136 15.023 1.00 0.00 N ATOM 0 H GLN A 34 0.622 0.085 11.625 1.00 0.00 H new ATOM 0 HA GLN A 34 2.896 1.970 11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.764 -0.984 12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.249 -0.155 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.325 1.038 13.604 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.583 1.059 13.794 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.505 -0.669 14.778 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.375 -1.907 15.690 1.00 0.00 H new ATOM 173 N ALA A 35 3.106 1.502 8.941 1.00 0.00 N ATOM 174 CA ALA A 35 3.262 1.271 7.512 1.00 0.00 C ATOM 175 C ALA A 35 4.573 1.866 7.020 1.00 0.00 C ATOM 176 O ALA A 35 5.161 2.721 7.682 1.00 0.00 O ATOM 177 CB ALA A 35 2.090 1.867 6.746 1.00 0.00 C ATOM 0 H ALA A 35 3.457 2.405 9.261 1.00 0.00 H new ATOM 0 HA ALA A 35 3.280 0.196 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.222 1.685 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.163 1.402 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.044 2.941 6.928 1.00 0.00 H new ATOM 183 N ARG A 36 5.027 1.405 5.864 1.00 0.00 N ATOM 184 CA ARG A 36 6.261 1.897 5.270 1.00 0.00 C ATOM 185 C ARG A 36 6.264 1.639 3.770 1.00 0.00 C ATOM 186 O ARG A 36 5.363 0.988 3.239 1.00 0.00 O ATOM 187 CB ARG A 36 7.474 1.211 5.902 1.00 0.00 C ATOM 188 CG ARG A 36 7.505 -0.297 5.693 1.00 0.00 C ATOM 189 CD ARG A 36 8.905 -0.781 5.349 1.00 0.00 C ATOM 190 NE ARG A 36 9.908 -0.299 6.299 1.00 0.00 N ATOM 191 CZ ARG A 36 11.119 0.116 5.939 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.457 0.135 4.657 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.994 0.515 6.852 1.00 0.00 N ATOM 0 H ARG A 36 4.555 0.686 5.315 1.00 0.00 H new ATOM 0 HA ARG A 36 6.321 2.970 5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.383 1.645 5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.482 1.420 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.157 -0.798 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.817 -0.569 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.917 -1.871 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.167 -0.445 4.346 1.00 0.00 H new ATOM 0 HE ARG A 36 9.666 -0.280 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.789 -0.168 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.385 0.453 4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.740 0.505 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.921 0.832 6.566 1.00 0.00 H new ATOM 206 N LEU A 37 7.280 2.154 3.099 1.00 0.00 N ATOM 207 CA LEU A 37 7.481 1.903 1.683 1.00 0.00 C ATOM 208 C LEU A 37 8.795 1.163 1.490 1.00 0.00 C ATOM 209 O LEU A 37 9.791 1.468 2.158 1.00 0.00 O ATOM 210 CB LEU A 37 7.503 3.221 0.908 1.00 0.00 C ATOM 211 CG LEU A 37 6.225 4.057 1.013 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.396 5.379 0.295 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.042 3.301 0.436 1.00 0.00 C ATOM 0 H LEU A 37 7.987 2.757 3.520 1.00 0.00 H new ATOM 0 HA LEU A 37 6.660 1.295 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.341 3.820 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.691 3.003 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 37 6.032 4.253 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.478 5.960 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.220 5.933 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.614 5.196 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.143 3.912 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.231 3.076 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.901 2.371 0.987 1.00 0.00 H new ATOM 225 N THR A 38 8.791 0.182 0.598 1.00 0.00 N ATOM 226 CA THR A 38 9.987 -0.594 0.304 1.00 0.00 C ATOM 227 C THR A 38 11.091 0.304 -0.229 1.00 0.00 C ATOM 228 O THR A 38 10.799 1.275 -0.931 1.00 0.00 O ATOM 229 CB THR A 38 9.707 -1.683 -0.746 1.00 0.00 C ATOM 230 OG1 THR A 38 9.238 -1.066 -1.953 1.00 0.00 O ATOM 231 CG2 THR A 38 8.679 -2.687 -0.247 1.00 0.00 C ATOM 0 H THR A 38 7.968 -0.096 0.063 1.00 0.00 H new ATOM 0 HA THR A 38 10.298 -1.062 1.238 1.00 0.00 H new ATOM 0 HB THR A 38 10.634 -2.223 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.362 -1.682 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.505 -3.442 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.050 -3.168 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.744 -2.172 -0.027 1.00 0.00 H new ATOM 239 N ARG A 39 12.343 -0.019 0.094 1.00 0.00 N ATOM 240 CA ARG A 39 13.486 0.784 -0.345 1.00 0.00 C ATOM 241 C ARG A 39 13.398 1.122 -1.837 1.00 0.00 C ATOM 242 O ARG A 39 13.342 2.297 -2.199 1.00 0.00 O ATOM 243 CB ARG A 39 14.814 0.077 -0.021 1.00 0.00 C ATOM 244 CG ARG A 39 14.826 -1.411 -0.338 1.00 0.00 C ATOM 245 CD ARG A 39 16.207 -2.016 -0.147 1.00 0.00 C ATOM 246 NE ARG A 39 16.205 -3.464 -0.357 1.00 0.00 N ATOM 247 CZ ARG A 39 16.800 -4.063 -1.383 1.00 0.00 C ATOM 248 NH1 ARG A 39 17.384 -3.338 -2.324 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.798 -5.382 -1.491 1.00 0.00 N ATOM 0 H ARG A 39 12.592 -0.831 0.658 1.00 0.00 H new ATOM 0 HA ARG A 39 13.456 1.723 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.615 0.562 -0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.035 0.213 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.111 -1.926 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.500 -1.567 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.906 -1.550 -0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.563 -1.796 0.859 1.00 0.00 H new ATOM 0 HE ARG A 39 15.719 -4.047 0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.377 -2.320 -2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.841 -3.797 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.336 -5.951 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.258 -5.830 -2.284 1.00 0.00 H new ATOM 262 N SER A 40 13.365 0.093 -2.686 1.00 0.00 N ATOM 263 CA SER A 40 13.197 0.268 -4.131 1.00 0.00 C ATOM 264 C SER A 40 14.299 1.166 -4.712 1.00 0.00 C ATOM 265 O SER A 40 15.430 0.722 -4.927 1.00 0.00 O ATOM 266 CB SER A 40 11.798 0.840 -4.432 1.00 0.00 C ATOM 267 OG SER A 40 11.542 0.895 -5.824 1.00 0.00 O ATOM 0 H SER A 40 13.453 -0.880 -2.394 1.00 0.00 H new ATOM 0 HA SER A 40 13.285 -0.706 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.041 0.224 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.715 1.840 -4.007 1.00 0.00 H new ATOM 0 HG SER A 40 10.646 1.261 -5.978 1.00 0.00 H new ATOM 273 N ASN A 41 13.970 2.428 -4.945 1.00 0.00 N ATOM 274 CA ASN A 41 14.938 3.401 -5.430 1.00 0.00 C ATOM 275 C ASN A 41 15.130 4.478 -4.372 1.00 0.00 C ATOM 276 O ASN A 41 16.239 4.965 -4.141 1.00 0.00 O ATOM 277 CB ASN A 41 14.462 4.015 -6.752 1.00 0.00 C ATOM 278 CG ASN A 41 15.529 4.863 -7.419 1.00 0.00 C ATOM 279 OD1 ASN A 41 16.724 4.619 -7.263 1.00 0.00 O ATOM 280 ND2 ASN A 41 15.102 5.847 -8.192 1.00 0.00 N ATOM 0 H ASN A 41 13.032 2.804 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 41 15.892 2.907 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.160 3.217 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.579 4.627 -6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.773 6.436 -8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.102 6.017 -8.295 1.00 0.00 H new ATOM 287 N SER A 42 14.032 4.826 -3.722 1.00 0.00 N ATOM 288 CA SER A 42 14.046 5.728 -2.588 1.00 0.00 C ATOM 289 C SER A 42 12.836 5.409 -1.714 1.00 0.00 C ATOM 290 O SER A 42 11.766 5.073 -2.225 1.00 0.00 O ATOM 291 CB SER A 42 14.032 7.189 -3.052 1.00 0.00 C ATOM 292 OG SER A 42 14.214 8.076 -1.962 1.00 0.00 O ATOM 0 H SER A 42 13.102 4.488 -3.969 1.00 0.00 H new ATOM 0 HA SER A 42 14.960 5.591 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.820 7.347 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.086 7.407 -3.547 1.00 0.00 H new ATOM 0 HG SER A 42 13.997 8.989 -2.244 1.00 0.00 H new ATOM 298 N LYS A 43 13.005 5.504 -0.400 1.00 0.00 N ATOM 299 CA LYS A 43 12.002 5.015 0.547 1.00 0.00 C ATOM 300 C LYS A 43 10.759 5.909 0.618 1.00 0.00 C ATOM 301 O LYS A 43 9.900 5.705 1.476 1.00 0.00 O ATOM 302 CB LYS A 43 12.607 4.854 1.955 1.00 0.00 C ATOM 303 CG LYS A 43 12.803 6.152 2.748 1.00 0.00 C ATOM 304 CD LYS A 43 14.045 6.932 2.328 1.00 0.00 C ATOM 305 CE LYS A 43 13.745 7.964 1.250 1.00 0.00 C ATOM 306 NZ LYS A 43 12.740 8.967 1.695 1.00 0.00 N ATOM 0 H LYS A 43 13.829 5.916 0.038 1.00 0.00 H new ATOM 0 HA LYS A 43 11.683 4.042 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.964 4.191 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.573 4.358 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.924 6.784 2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.873 5.914 3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.468 7.433 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.801 6.237 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.667 8.475 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.379 7.458 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.655 9.715 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.818 8.502 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.044 9.386 2.597 1.00 0.00 H new ATOM 319 N CYS A 44 10.655 6.880 -0.274 1.00 0.00 N ATOM 320 CA CYS A 44 9.514 7.787 -0.278 1.00 0.00 C ATOM 321 C CYS A 44 8.572 7.463 -1.438 1.00 0.00 C ATOM 322 O CYS A 44 7.468 8.004 -1.538 1.00 0.00 O ATOM 323 CB CYS A 44 10.001 9.233 -0.370 1.00 0.00 C ATOM 324 SG CYS A 44 8.697 10.486 -0.181 1.00 0.00 S ATOM 0 H CYS A 44 11.344 7.062 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 44 8.961 7.660 0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.758 9.397 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.488 9.378 -1.334 1.00 0.00 H new ATOM 329 N GLN A 45 9.016 6.571 -2.313 1.00 0.00 N ATOM 330 CA GLN A 45 8.221 6.153 -3.454 1.00 0.00 C ATOM 331 C GLN A 45 8.542 4.705 -3.813 1.00 0.00 C ATOM 332 O GLN A 45 9.517 4.412 -4.507 1.00 0.00 O ATOM 333 CB GLN A 45 8.433 7.086 -4.664 1.00 0.00 C ATOM 334 CG GLN A 45 9.886 7.315 -5.070 1.00 0.00 C ATOM 335 CD GLN A 45 10.609 8.317 -4.191 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.214 7.956 -3.185 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.552 9.586 -4.562 1.00 0.00 N ATOM 0 H GLN A 45 9.930 6.122 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 45 7.168 6.219 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.896 6.673 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.980 8.052 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.418 6.364 -5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.916 7.662 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.040 9.849 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.020 10.301 -4.006 1.00 0.00 H new ATOM 346 N GLY A 46 7.717 3.796 -3.325 1.00 0.00 N ATOM 347 CA GLY A 46 7.975 2.387 -3.517 1.00 0.00 C ATOM 348 C GLY A 46 6.747 1.547 -3.251 1.00 0.00 C ATOM 349 O GLY A 46 5.624 2.049 -3.310 1.00 0.00 O ATOM 0 H GLY A 46 6.870 4.009 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.317 2.217 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.781 2.072 -2.854 1.00 0.00 H new ATOM 353 N GLN A 47 6.957 0.275 -2.948 1.00 0.00 N ATOM 354 CA GLN A 47 5.858 -0.638 -2.675 1.00 0.00 C ATOM 355 C GLN A 47 5.382 -0.452 -1.239 1.00 0.00 C ATOM 356 O GLN A 47 6.194 -0.272 -0.330 1.00 0.00 O ATOM 357 CB GLN A 47 6.311 -2.081 -2.902 1.00 0.00 C ATOM 358 CG GLN A 47 7.005 -2.293 -4.242 1.00 0.00 C ATOM 359 CD GLN A 47 7.444 -3.728 -4.451 1.00 0.00 C ATOM 360 OE1 GLN A 47 6.813 -4.658 -3.957 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.527 -3.918 -5.185 1.00 0.00 N ATOM 0 H GLN A 47 7.882 -0.150 -2.885 1.00 0.00 H new ATOM 0 HA GLN A 47 5.032 -0.421 -3.352 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.989 -2.372 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.445 -2.740 -2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.329 -2.003 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.874 -1.638 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.023 -3.118 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.866 -4.864 -5.358 1.00 0.00 H new ATOM 370 N LEU A 48 4.075 -0.477 -1.040 1.00 0.00 N ATOM 371 CA LEU A 48 3.506 -0.240 0.278 1.00 0.00 C ATOM 372 C LEU A 48 3.576 -1.493 1.145 1.00 0.00 C ATOM 373 O LEU A 48 3.034 -2.542 0.789 1.00 0.00 O ATOM 374 CB LEU A 48 2.054 0.236 0.152 1.00 0.00 C ATOM 375 CG LEU A 48 1.360 0.603 1.470 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.035 1.794 2.131 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.111 0.901 1.229 1.00 0.00 C ATOM 0 H LEU A 48 3.388 -0.659 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 48 4.095 0.538 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.031 1.106 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.475 -0.547 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 48 1.442 -0.251 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.522 2.032 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.077 1.551 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.991 2.654 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.589 1.160 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.204 1.736 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.596 0.021 0.806 1.00 0.00 H new ATOM 389 N GLU A 49 4.265 -1.375 2.272 1.00 0.00 N ATOM 390 CA GLU A 49 4.323 -2.439 3.261 1.00 0.00 C ATOM 391 C GLU A 49 3.557 -2.019 4.505 1.00 0.00 C ATOM 392 O GLU A 49 3.794 -0.941 5.053 1.00 0.00 O ATOM 393 CB GLU A 49 5.771 -2.769 3.644 1.00 0.00 C ATOM 394 CG GLU A 49 6.552 -3.500 2.566 1.00 0.00 C ATOM 395 CD GLU A 49 7.957 -3.856 3.014 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.824 -2.959 3.052 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.197 -5.042 3.330 1.00 0.00 O ATOM 0 H GLU A 49 4.797 -0.542 2.524 1.00 0.00 H new ATOM 0 HA GLU A 49 3.873 -3.331 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.290 -1.842 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.766 -3.378 4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.020 -4.410 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.605 -2.877 1.673 1.00 0.00 H new ATOM 404 N VAL A 50 2.636 -2.858 4.940 1.00 0.00 N ATOM 405 CA VAL A 50 1.858 -2.567 6.132 1.00 0.00 C ATOM 406 C VAL A 50 2.076 -3.639 7.190 1.00 0.00 C ATOM 407 O VAL A 50 2.391 -4.790 6.871 1.00 0.00 O ATOM 408 CB VAL A 50 0.352 -2.431 5.825 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.105 -1.254 4.891 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.205 -3.713 5.227 1.00 0.00 C ATOM 0 H VAL A 50 2.408 -3.744 4.489 1.00 0.00 H new ATOM 0 HA VAL A 50 2.207 -1.607 6.513 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.169 -2.247 6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.962 -1.171 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.455 -0.336 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.645 -1.411 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.268 -3.587 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.320 -3.940 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.067 -4.533 5.931 1.00 0.00 H new ATOM 420 N TYR A 51 1.928 -3.246 8.444 1.00 0.00 N ATOM 421 CA TYR A 51 2.158 -4.146 9.560 1.00 0.00 C ATOM 422 C TYR A 51 0.862 -4.821 9.989 1.00 0.00 C ATOM 423 O TYR A 51 -0.050 -4.171 10.499 1.00 0.00 O ATOM 424 CB TYR A 51 2.768 -3.372 10.734 1.00 0.00 C ATOM 425 CG TYR A 51 3.026 -4.209 11.970 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.146 -5.026 12.062 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.149 -4.172 13.050 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.382 -5.784 13.192 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.382 -4.926 14.182 1.00 0.00 C ATOM 430 CZ TYR A 51 3.499 -5.729 14.249 1.00 0.00 C ATOM 431 OH TYR A 51 3.737 -6.475 15.380 1.00 0.00 O ATOM 0 H TYR A 51 1.648 -2.303 8.715 1.00 0.00 H new ATOM 0 HA TYR A 51 2.854 -4.922 9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.708 -2.926 10.410 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.100 -2.552 10.998 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.842 -5.069 11.238 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.272 -3.543 13.001 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.255 -6.417 13.247 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.692 -4.887 15.012 1.00 0.00 H new ATOM 0 HH TYR A 51 3.020 -6.321 16.030 1.00 0.00 H new ATOM 441 N LEU A 52 0.788 -6.123 9.774 1.00 0.00 N ATOM 442 CA LEU A 52 -0.342 -6.907 10.246 1.00 0.00 C ATOM 443 C LEU A 52 0.072 -7.683 11.488 1.00 0.00 C ATOM 444 O LEU A 52 1.176 -7.490 11.996 1.00 0.00 O ATOM 445 CB LEU A 52 -0.842 -7.871 9.164 1.00 0.00 C ATOM 446 CG LEU A 52 -1.324 -7.227 7.864 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.835 -8.298 6.912 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.412 -6.194 8.138 1.00 0.00 C ATOM 0 H LEU A 52 1.497 -6.661 9.275 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.160 -6.229 10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.038 -8.567 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.660 -8.460 9.580 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.482 -6.713 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.177 -7.831 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.031 -8.999 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.664 -8.832 7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.738 -5.750 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.259 -6.678 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.018 -5.414 8.789 1.00 0.00 H new ATOM 460 N LYS A 53 -0.798 -8.565 11.967 1.00 0.00 N ATOM 461 CA LYS A 53 -0.513 -9.353 13.164 1.00 0.00 C ATOM 462 C LYS A 53 0.748 -10.190 12.967 1.00 0.00 C ATOM 463 O LYS A 53 1.586 -10.293 13.865 1.00 0.00 O ATOM 464 CB LYS A 53 -1.696 -10.268 13.517 1.00 0.00 C ATOM 465 CG LYS A 53 -3.017 -9.538 13.739 1.00 0.00 C ATOM 466 CD LYS A 53 -3.704 -9.186 12.428 1.00 0.00 C ATOM 467 CE LYS A 53 -4.993 -8.415 12.657 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.751 -7.093 13.295 1.00 0.00 N ATOM 0 H LYS A 53 -1.708 -8.754 11.546 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.354 -8.659 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.828 -10.995 12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.449 -10.828 14.419 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.679 -10.162 14.339 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.836 -8.627 14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.029 -8.592 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.920 -10.099 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.501 -8.269 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.660 -9.004 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.569 -6.473 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.614 -7.221 14.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.900 -6.660 12.884 1.00 0.00 H new ATOM 481 N ASP A 54 0.870 -10.779 11.784 1.00 0.00 N ATOM 482 CA ASP A 54 2.029 -11.601 11.441 1.00 0.00 C ATOM 483 C ASP A 54 3.289 -10.747 11.376 1.00 0.00 C ATOM 484 O ASP A 54 4.316 -11.081 11.966 1.00 0.00 O ATOM 485 CB ASP A 54 1.822 -12.284 10.083 1.00 0.00 C ATOM 486 CG ASP A 54 0.436 -12.873 9.927 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.491 -12.119 9.556 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.262 -14.082 10.169 1.00 0.00 O ATOM 0 H ASP A 54 0.177 -10.703 11.040 1.00 0.00 H new ATOM 0 HA ASP A 54 2.142 -12.359 12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.996 -11.560 9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.563 -13.074 9.962 1.00 0.00 H new ATOM 493 N GLY A 55 3.194 -9.636 10.659 1.00 0.00 N ATOM 494 CA GLY A 55 4.336 -8.773 10.455 1.00 0.00 C ATOM 495 C GLY A 55 4.153 -7.872 9.254 1.00 0.00 C ATOM 496 O GLY A 55 3.019 -7.555 8.879 1.00 0.00 O ATOM 0 H GLY A 55 2.335 -9.316 10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.495 -8.164 11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.231 -9.380 10.320 1.00 0.00 H new ATOM 500 N TRP A 56 5.256 -7.482 8.636 1.00 0.00 N ATOM 501 CA TRP A 56 5.217 -6.572 7.499 1.00 0.00 C ATOM 502 C TRP A 56 4.873 -7.329 6.223 1.00 0.00 C ATOM 503 O TRP A 56 5.440 -8.385 5.945 1.00 0.00 O ATOM 504 CB TRP A 56 6.558 -5.847 7.346 1.00 0.00 C ATOM 505 CG TRP A 56 6.881 -4.949 8.503 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.691 -5.234 9.565 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.391 -3.621 8.718 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.738 -4.162 10.423 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.947 -3.160 9.925 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.538 -2.777 8.004 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.672 -1.893 10.433 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.267 -1.524 8.508 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.833 -1.090 9.710 1.00 0.00 C ATOM 0 H TRP A 56 6.194 -7.782 8.903 1.00 0.00 H new ATOM 0 HA TRP A 56 4.441 -5.828 7.679 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.352 -6.585 7.235 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.542 -5.257 6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.218 -6.166 9.709 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.274 -4.119 11.290 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.098 -3.101 7.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.105 -1.557 11.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.606 -0.865 7.965 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.603 -0.100 10.076 1.00 0.00 H new ATOM 524 N HIS A 57 3.928 -6.799 5.461 1.00 0.00 N ATOM 525 CA HIS A 57 3.487 -7.449 4.233 1.00 0.00 C ATOM 526 C HIS A 57 3.331 -6.445 3.098 1.00 0.00 C ATOM 527 O HIS A 57 2.989 -5.285 3.325 1.00 0.00 O ATOM 528 CB HIS A 57 2.157 -8.177 4.457 1.00 0.00 C ATOM 529 CG HIS A 57 2.273 -9.439 5.259 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.396 -9.767 6.272 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.148 -10.470 5.173 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.724 -10.941 6.775 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.784 -11.391 6.126 1.00 0.00 N ATOM 0 H HIS A 57 3.451 -5.922 5.670 1.00 0.00 H new ATOM 0 HA HIS A 57 4.253 -8.172 3.954 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.467 -7.501 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.718 -8.415 3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.976 -10.553 4.485 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.213 -11.448 7.580 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.255 -12.278 6.304 1.00 0.00 H new ATOM 541 N MET A 58 3.578 -6.913 1.881 1.00 0.00 N ATOM 542 CA MET A 58 3.455 -6.089 0.681 1.00 0.00 C ATOM 543 C MET A 58 1.994 -5.981 0.264 1.00 0.00 C ATOM 544 O MET A 58 1.299 -6.990 0.194 1.00 0.00 O ATOM 545 CB MET A 58 4.246 -6.723 -0.465 1.00 0.00 C ATOM 546 CG MET A 58 5.722 -6.932 -0.172 1.00 0.00 C ATOM 547 SD MET A 58 6.476 -8.125 -1.299 1.00 0.00 S ATOM 548 CE MET A 58 6.031 -7.426 -2.885 1.00 0.00 C ATOM 0 H MET A 58 3.869 -7.873 1.696 1.00 0.00 H new ATOM 0 HA MET A 58 3.847 -5.096 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.797 -7.686 -0.710 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.150 -6.092 -1.349 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.245 -5.979 -0.250 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.842 -7.278 0.855 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.278 -8.054 -3.361 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.628 -6.423 -2.741 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.915 -7.374 -3.521 1.00 0.00 H new ATOM 558 N VAL A 59 1.531 -4.774 -0.023 1.00 0.00 N ATOM 559 CA VAL A 59 0.156 -4.585 -0.464 1.00 0.00 C ATOM 560 C VAL A 59 0.046 -4.794 -1.975 1.00 0.00 C ATOM 561 O VAL A 59 0.811 -4.218 -2.752 1.00 0.00 O ATOM 562 CB VAL A 59 -0.382 -3.186 -0.092 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.814 -3.008 -0.579 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.314 -2.961 1.410 1.00 0.00 C ATOM 0 H VAL A 59 2.081 -3.917 0.040 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.452 -5.328 0.052 1.00 0.00 H new ATOM 0 HB VAL A 59 0.249 -2.447 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.171 -2.015 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.846 -3.119 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.452 -3.762 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.698 -1.969 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.916 -3.714 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.721 -3.038 1.743 1.00 0.00 H new ATOM 574 N CYS A 60 -0.896 -5.638 -2.376 1.00 0.00 N ATOM 575 CA CYS A 60 -1.122 -5.939 -3.786 1.00 0.00 C ATOM 576 C CYS A 60 -2.021 -4.871 -4.412 1.00 0.00 C ATOM 577 O CYS A 60 -2.852 -4.264 -3.734 1.00 0.00 O ATOM 578 CB CYS A 60 -1.763 -7.325 -3.927 1.00 0.00 C ATOM 579 SG CYS A 60 -1.086 -8.320 -5.293 1.00 0.00 S ATOM 0 H CYS A 60 -1.522 -6.131 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.166 -5.940 -4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.631 -7.872 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.836 -7.204 -4.077 1.00 0.00 H new ATOM 584 N SER A 61 -1.843 -4.658 -5.713 1.00 0.00 N ATOM 585 CA SER A 61 -2.449 -3.538 -6.422 1.00 0.00 C ATOM 586 C SER A 61 -3.974 -3.613 -6.484 1.00 0.00 C ATOM 587 O SER A 61 -4.626 -2.583 -6.583 1.00 0.00 O ATOM 588 CB SER A 61 -1.880 -3.450 -7.840 1.00 0.00 C ATOM 589 OG SER A 61 -2.113 -4.648 -8.564 1.00 0.00 O ATOM 0 H SER A 61 -1.272 -5.260 -6.306 1.00 0.00 H new ATOM 0 HA SER A 61 -2.201 -2.641 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.335 -2.611 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.809 -3.253 -7.793 1.00 0.00 H new ATOM 0 HG SER A 61 -2.041 -4.469 -9.525 1.00 0.00 H new ATOM 595 N GLN A 62 -4.542 -4.816 -6.425 1.00 0.00 N ATOM 596 CA GLN A 62 -5.994 -4.973 -6.557 1.00 0.00 C ATOM 597 C GLN A 62 -6.727 -4.654 -5.252 1.00 0.00 C ATOM 598 O GLN A 62 -7.924 -4.919 -5.128 1.00 0.00 O ATOM 599 CB GLN A 62 -6.360 -6.391 -7.005 1.00 0.00 C ATOM 600 CG GLN A 62 -5.751 -6.806 -8.334 1.00 0.00 C ATOM 601 CD GLN A 62 -6.344 -8.095 -8.872 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.771 -8.965 -8.108 1.00 0.00 O ATOM 603 NE2 GLN A 62 -6.392 -8.217 -10.190 1.00 0.00 N ATOM 0 H GLN A 62 -4.029 -5.687 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.312 -4.259 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.041 -7.095 -6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.445 -6.468 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.902 -6.009 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.675 -6.928 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.027 -7.473 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.794 -9.055 -10.610 1.00 0.00 H new ATOM 612 N SER A 63 -6.016 -4.087 -4.288 1.00 0.00 N ATOM 613 CA SER A 63 -6.609 -3.755 -3.004 1.00 0.00 C ATOM 614 C SER A 63 -7.656 -2.655 -3.154 1.00 0.00 C ATOM 615 O SER A 63 -7.457 -1.692 -3.898 1.00 0.00 O ATOM 616 CB SER A 63 -5.529 -3.324 -2.009 1.00 0.00 C ATOM 617 OG SER A 63 -4.637 -4.394 -1.736 1.00 0.00 O ATOM 0 H SER A 63 -5.028 -3.848 -4.372 1.00 0.00 H new ATOM 0 HA SER A 63 -7.103 -4.648 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.974 -2.477 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.995 -2.988 -1.083 1.00 0.00 H new ATOM 0 HG SER A 63 -3.873 -4.348 -2.349 1.00 0.00 H new ATOM 623 N TRP A 64 -8.780 -2.838 -2.463 1.00 0.00 N ATOM 624 CA TRP A 64 -9.891 -1.878 -2.447 1.00 0.00 C ATOM 625 C TRP A 64 -10.499 -1.685 -3.836 1.00 0.00 C ATOM 626 O TRP A 64 -11.312 -0.782 -4.047 1.00 0.00 O ATOM 627 CB TRP A 64 -9.436 -0.526 -1.885 1.00 0.00 C ATOM 628 CG TRP A 64 -8.715 -0.642 -0.578 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.221 -1.087 0.607 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.348 -0.306 -0.331 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.249 -1.052 1.576 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.090 -0.577 1.023 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.316 0.195 -1.128 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -5.843 -0.363 1.596 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.078 0.407 -0.558 1.00 0.00 C ATOM 636 CH2 TRP A 64 -4.851 0.128 0.792 1.00 0.00 C ATOM 0 H TRP A 64 -8.950 -3.665 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.661 -2.294 -1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.784 -0.040 -2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.306 0.118 -1.757 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.237 -1.418 0.761 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.370 -1.334 2.549 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.485 0.413 -2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.663 -0.577 2.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.272 0.794 -1.164 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.871 0.304 1.210 1.00 0.00 H new ATOM 647 N GLY A 65 -10.115 -2.537 -4.774 1.00 0.00 N ATOM 648 CA GLY A 65 -10.656 -2.453 -6.112 1.00 0.00 C ATOM 649 C GLY A 65 -9.887 -1.502 -7.011 1.00 0.00 C ATOM 650 O GLY A 65 -10.465 -0.906 -7.918 1.00 0.00 O ATOM 0 H GLY A 65 -9.437 -3.286 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.655 -3.447 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.695 -2.129 -6.057 1.00 0.00 H new ATOM 654 N ARG A 66 -8.590 -1.339 -6.756 1.00 0.00 N ATOM 655 CA ARG A 66 -7.740 -0.561 -7.651 1.00 0.00 C ATOM 656 C ARG A 66 -7.523 -1.321 -8.956 1.00 0.00 C ATOM 657 O ARG A 66 -7.162 -2.501 -8.952 1.00 0.00 O ATOM 658 CB ARG A 66 -6.382 -0.248 -7.010 1.00 0.00 C ATOM 659 CG ARG A 66 -6.402 0.862 -5.970 1.00 0.00 C ATOM 660 CD ARG A 66 -6.735 2.211 -6.594 1.00 0.00 C ATOM 661 NE ARG A 66 -6.289 3.330 -5.759 1.00 0.00 N ATOM 662 CZ ARG A 66 -7.110 4.117 -5.068 1.00 0.00 C ATOM 663 NH1 ARG A 66 -8.409 3.862 -5.040 1.00 0.00 N ATOM 664 NH2 ARG A 66 -6.637 5.153 -4.389 1.00 0.00 N ATOM 0 H ARG A 66 -8.110 -1.731 -5.946 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.247 0.383 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.000 -1.156 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.680 0.025 -7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.136 0.626 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.431 0.918 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.266 2.282 -7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.811 2.282 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.288 3.517 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.783 3.061 -5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.036 4.467 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.637 5.352 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.274 5.751 -3.862 1.00 0.00 H new ATOM 677 N SER A 67 -7.752 -0.639 -10.062 1.00 0.00 N ATOM 678 CA SER A 67 -7.628 -1.239 -11.380 1.00 0.00 C ATOM 679 C SER A 67 -6.349 -0.751 -12.058 1.00 0.00 C ATOM 680 O SER A 67 -5.552 -0.034 -11.446 1.00 0.00 O ATOM 681 CB SER A 67 -8.862 -0.875 -12.215 1.00 0.00 C ATOM 682 OG SER A 67 -8.905 -1.586 -13.442 1.00 0.00 O ATOM 0 H SER A 67 -8.028 0.343 -10.074 1.00 0.00 H new ATOM 0 HA SER A 67 -7.569 -2.324 -11.289 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.764 -1.089 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.859 0.196 -12.417 1.00 0.00 H new ATOM 0 HG SER A 67 -9.707 -1.327 -13.942 1.00 0.00 H new ATOM 688 N SER A 68 -6.158 -1.137 -13.314 1.00 0.00 N ATOM 689 CA SER A 68 -5.001 -0.710 -14.095 1.00 0.00 C ATOM 690 C SER A 68 -5.183 0.732 -14.581 1.00 0.00 C ATOM 691 O SER A 68 -4.981 1.045 -15.757 1.00 0.00 O ATOM 692 CB SER A 68 -4.783 -1.658 -15.284 1.00 0.00 C ATOM 693 OG SER A 68 -3.653 -1.272 -16.051 1.00 0.00 O ATOM 0 H SER A 68 -6.797 -1.752 -13.819 1.00 0.00 H new ATOM 0 HA SER A 68 -4.118 -0.746 -13.457 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.647 -2.676 -14.920 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.671 -1.661 -15.917 1.00 0.00 H new ATOM 0 HG SER A 68 -3.766 -0.348 -16.358 1.00 0.00 H new ATOM 699 N LYS A 69 -5.568 1.594 -13.657 1.00 0.00 N ATOM 700 CA LYS A 69 -5.753 3.008 -13.921 1.00 0.00 C ATOM 701 C LYS A 69 -5.807 3.749 -12.594 1.00 0.00 C ATOM 702 O LYS A 69 -6.545 3.357 -11.687 1.00 0.00 O ATOM 703 CB LYS A 69 -7.031 3.260 -14.742 1.00 0.00 C ATOM 704 CG LYS A 69 -8.289 2.629 -14.159 1.00 0.00 C ATOM 705 CD LYS A 69 -9.526 2.897 -15.015 1.00 0.00 C ATOM 706 CE LYS A 69 -9.495 2.144 -16.344 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.508 2.715 -17.304 1.00 0.00 N ATOM 0 H LYS A 69 -5.763 1.328 -12.692 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.915 3.376 -14.513 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.186 4.335 -14.829 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.881 2.877 -15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.142 1.553 -14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.455 3.018 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.418 2.608 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.604 3.967 -15.209 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.252 1.098 -16.159 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.488 2.166 -16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.943 2.790 -18.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.216 3.660 -16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.675 2.094 -17.356 1.00 0.00 H new ATOM 720 N GLN A 70 -4.988 4.780 -12.463 1.00 0.00 N ATOM 721 CA GLN A 70 -4.919 5.547 -11.233 1.00 0.00 C ATOM 722 C GLN A 70 -6.271 6.169 -10.906 1.00 0.00 C ATOM 723 O GLN A 70 -6.888 6.823 -11.750 1.00 0.00 O ATOM 724 CB GLN A 70 -3.854 6.642 -11.335 1.00 0.00 C ATOM 725 CG GLN A 70 -3.583 7.344 -10.014 1.00 0.00 C ATOM 726 CD GLN A 70 -2.516 8.416 -10.115 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.770 8.645 -9.168 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.450 9.095 -11.249 1.00 0.00 N ATOM 0 H GLN A 70 -4.360 5.105 -13.198 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.644 4.864 -10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.926 6.203 -11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.171 7.380 -12.072 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.508 7.794 -9.653 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.277 6.605 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.088 8.874 -12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.761 9.839 -11.359 1.00 0.00 H new ATOM 737 N TRP A 71 -6.731 5.938 -9.684 1.00 0.00 N ATOM 738 CA TRP A 71 -7.979 6.513 -9.218 1.00 0.00 C ATOM 739 C TRP A 71 -7.793 8.012 -9.015 1.00 0.00 C ATOM 740 O TRP A 71 -6.694 8.472 -8.702 1.00 0.00 O ATOM 741 CB TRP A 71 -8.415 5.846 -7.912 1.00 0.00 C ATOM 742 CG TRP A 71 -9.895 5.898 -7.680 1.00 0.00 C ATOM 743 CD1 TRP A 71 -10.603 6.912 -7.107 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.846 4.884 -8.020 1.00 0.00 C ATOM 745 NE1 TRP A 71 -11.939 6.592 -7.070 1.00 0.00 N ATOM 746 CE2 TRP A 71 -12.114 5.348 -7.625 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.746 3.626 -8.619 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -13.273 4.597 -7.815 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.893 2.883 -8.806 1.00 0.00 C ATOM 750 CH2 TRP A 71 -13.142 3.368 -8.406 1.00 0.00 C ATOM 0 H TRP A 71 -6.254 5.354 -8.997 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.758 6.344 -9.962 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.093 4.805 -7.920 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.907 6.331 -7.078 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.176 7.832 -6.736 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -12.680 7.182 -6.692 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.786 3.241 -8.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.239 4.970 -7.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.825 1.910 -9.269 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -14.021 2.762 -8.566 1.00 0.00 H new ATOM 761 N GLU A 72 -8.877 8.757 -9.189 1.00 0.00 N ATOM 762 CA GLU A 72 -8.822 10.213 -9.245 1.00 0.00 C ATOM 763 C GLU A 72 -8.365 10.841 -7.925 1.00 0.00 C ATOM 764 O GLU A 72 -7.990 12.013 -7.895 1.00 0.00 O ATOM 765 CB GLU A 72 -10.189 10.765 -9.658 1.00 0.00 C ATOM 766 CG GLU A 72 -10.136 12.191 -10.174 1.00 0.00 C ATOM 767 CD GLU A 72 -11.457 12.648 -10.746 1.00 0.00 C ATOM 768 OE1 GLU A 72 -12.290 13.178 -9.978 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.670 12.481 -11.961 1.00 0.00 O ATOM 0 H GLU A 72 -9.815 8.372 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.074 10.483 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.613 10.123 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.863 10.722 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.845 12.857 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.365 12.268 -10.941 1.00 0.00 H new ATOM 776 N ASP A 73 -8.381 10.076 -6.842 1.00 0.00 N ATOM 777 CA ASP A 73 -7.888 10.582 -5.568 1.00 0.00 C ATOM 778 C ASP A 73 -6.890 9.609 -4.950 1.00 0.00 C ATOM 779 O ASP A 73 -7.274 8.639 -4.290 1.00 0.00 O ATOM 780 CB ASP A 73 -9.028 10.839 -4.579 1.00 0.00 C ATOM 781 CG ASP A 73 -8.558 11.626 -3.362 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.762 11.093 -2.563 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.986 12.787 -3.199 1.00 0.00 O ATOM 0 H ASP A 73 -8.725 9.116 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.391 11.530 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.826 11.387 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.449 9.887 -4.255 1.00 0.00 H new ATOM 788 N PRO A 74 -5.595 9.826 -5.198 1.00 0.00 N ATOM 789 CA PRO A 74 -4.529 9.110 -4.517 1.00 0.00 C ATOM 790 C PRO A 74 -4.136 9.813 -3.221 1.00 0.00 C ATOM 791 O PRO A 74 -3.342 9.302 -2.429 1.00 0.00 O ATOM 792 CB PRO A 74 -3.365 9.151 -5.521 1.00 0.00 C ATOM 793 CG PRO A 74 -3.815 10.023 -6.656 1.00 0.00 C ATOM 794 CD PRO A 74 -5.052 10.746 -6.196 1.00 0.00 C ATOM 0 HA PRO A 74 -4.819 8.098 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.465 9.553 -5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.121 8.149 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.034 10.732 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.026 9.424 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.818 11.720 -5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.751 10.918 -7.014 1.00 0.00 H new ATOM 802 N SER A 75 -4.729 10.982 -3.008 1.00 0.00 N ATOM 803 CA SER A 75 -4.374 11.846 -1.895 1.00 0.00 C ATOM 804 C SER A 75 -4.922 11.329 -0.566 1.00 0.00 C ATOM 805 O SER A 75 -4.572 11.845 0.494 1.00 0.00 O ATOM 806 CB SER A 75 -4.879 13.264 -2.157 1.00 0.00 C ATOM 807 OG SER A 75 -4.307 13.798 -3.342 1.00 0.00 O ATOM 0 H SER A 75 -5.469 11.355 -3.603 1.00 0.00 H new ATOM 0 HA SER A 75 -3.287 11.852 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.965 13.256 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.632 13.904 -1.310 1.00 0.00 H new ATOM 0 HG SER A 75 -4.647 14.705 -3.489 1.00 0.00 H new ATOM 813 N GLN A 76 -5.771 10.310 -0.614 1.00 0.00 N ATOM 814 CA GLN A 76 -6.300 9.704 0.605 1.00 0.00 C ATOM 815 C GLN A 76 -5.170 9.248 1.530 1.00 0.00 C ATOM 816 O GLN A 76 -5.326 9.222 2.748 1.00 0.00 O ATOM 817 CB GLN A 76 -7.205 8.513 0.277 1.00 0.00 C ATOM 818 CG GLN A 76 -8.488 8.890 -0.449 1.00 0.00 C ATOM 819 CD GLN A 76 -9.279 9.964 0.272 1.00 0.00 C ATOM 820 OE1 GLN A 76 -10.084 9.672 1.158 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.079 11.208 -0.125 1.00 0.00 N ATOM 0 H GLN A 76 -6.108 9.886 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.888 10.466 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.648 7.805 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.462 7.999 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.243 9.238 -1.452 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.110 8.002 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.402 11.405 -0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.601 11.971 0.306 1.00 0.00 H new ATOM 830 N ALA A 77 -4.019 8.933 0.946 1.00 0.00 N ATOM 831 CA ALA A 77 -2.895 8.403 1.706 1.00 0.00 C ATOM 832 C ALA A 77 -2.008 9.522 2.252 1.00 0.00 C ATOM 833 O ALA A 77 -0.818 9.313 2.507 1.00 0.00 O ATOM 834 CB ALA A 77 -2.077 7.459 0.839 1.00 0.00 C ATOM 0 H ALA A 77 -3.841 9.036 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.296 7.853 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.239 7.068 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.706 6.633 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.699 7.998 -0.029 1.00 0.00 H new ATOM 840 N SER A 78 -2.593 10.704 2.441 1.00 0.00 N ATOM 841 CA SER A 78 -1.862 11.855 2.974 1.00 0.00 C ATOM 842 C SER A 78 -1.176 11.520 4.294 1.00 0.00 C ATOM 843 O SER A 78 -0.046 11.936 4.533 1.00 0.00 O ATOM 844 CB SER A 78 -2.800 13.049 3.176 1.00 0.00 C ATOM 845 OG SER A 78 -3.264 13.557 1.936 1.00 0.00 O ATOM 0 H SER A 78 -3.574 10.891 2.233 1.00 0.00 H new ATOM 0 HA SER A 78 -1.098 12.117 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.650 12.747 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.278 13.836 3.721 1.00 0.00 H new ATOM 0 HG SER A 78 -3.888 12.917 1.533 1.00 0.00 H new ATOM 851 N LYS A 79 -1.858 10.751 5.137 1.00 0.00 N ATOM 852 CA LYS A 79 -1.332 10.403 6.452 1.00 0.00 C ATOM 853 C LYS A 79 -0.055 9.578 6.346 1.00 0.00 C ATOM 854 O LYS A 79 0.867 9.761 7.135 1.00 0.00 O ATOM 855 CB LYS A 79 -2.381 9.648 7.270 1.00 0.00 C ATOM 856 CG LYS A 79 -3.617 10.474 7.579 1.00 0.00 C ATOM 857 CD LYS A 79 -3.258 11.752 8.323 1.00 0.00 C ATOM 858 CE LYS A 79 -4.483 12.596 8.625 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.118 13.888 9.262 1.00 0.00 N ATOM 0 H LYS A 79 -2.776 10.357 4.933 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.088 11.335 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.679 8.752 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.931 9.317 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.131 10.724 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.310 9.884 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.753 11.499 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.555 12.334 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.030 12.787 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.153 12.042 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.981 14.437 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.619 13.706 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.499 14.427 8.623 1.00 0.00 H new ATOM 872 N VAL A 80 0.007 8.687 5.362 1.00 0.00 N ATOM 873 CA VAL A 80 1.183 7.848 5.179 1.00 0.00 C ATOM 874 C VAL A 80 2.367 8.696 4.730 1.00 0.00 C ATOM 875 O VAL A 80 3.434 8.658 5.337 1.00 0.00 O ATOM 876 CB VAL A 80 0.941 6.716 4.149 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.203 5.881 3.961 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.222 5.827 4.575 1.00 0.00 C ATOM 0 H VAL A 80 -0.738 8.529 4.684 1.00 0.00 H new ATOM 0 HA VAL A 80 1.399 7.384 6.141 1.00 0.00 H new ATOM 0 HB VAL A 80 0.685 7.180 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.012 5.092 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.011 6.518 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.490 5.435 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.370 5.041 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.000 5.377 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.129 6.427 4.653 1.00 0.00 H new ATOM 888 N CYS A 81 2.155 9.484 3.684 1.00 0.00 N ATOM 889 CA CYS A 81 3.214 10.323 3.135 1.00 0.00 C ATOM 890 C CYS A 81 3.667 11.386 4.136 1.00 0.00 C ATOM 891 O CYS A 81 4.848 11.740 4.182 1.00 0.00 O ATOM 892 CB CYS A 81 2.751 10.976 1.833 1.00 0.00 C ATOM 893 SG CYS A 81 2.491 9.799 0.470 1.00 0.00 S ATOM 0 H CYS A 81 1.261 9.560 3.199 1.00 0.00 H new ATOM 0 HA CYS A 81 4.071 9.683 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.821 11.514 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.491 11.715 1.526 1.00 0.00 H new ATOM 898 N GLN A 82 2.738 11.894 4.935 1.00 0.00 N ATOM 899 CA GLN A 82 3.075 12.864 5.971 1.00 0.00 C ATOM 900 C GLN A 82 3.917 12.184 7.049 1.00 0.00 C ATOM 901 O GLN A 82 5.032 12.613 7.349 1.00 0.00 O ATOM 902 CB GLN A 82 1.791 13.449 6.586 1.00 0.00 C ATOM 903 CG GLN A 82 1.950 14.819 7.249 1.00 0.00 C ATOM 904 CD GLN A 82 3.006 14.858 8.337 1.00 0.00 C ATOM 905 OE1 GLN A 82 4.162 15.199 8.086 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.628 14.488 9.547 1.00 0.00 N ATOM 0 H GLN A 82 1.748 11.652 4.887 1.00 0.00 H new ATOM 0 HA GLN A 82 3.649 13.679 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.036 13.527 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.410 12.747 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.203 15.554 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.992 15.119 7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.661 14.212 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.303 14.478 10.312 1.00 0.00 H new ATOM 915 N ARG A 83 3.388 11.093 7.593 1.00 0.00 N ATOM 916 CA ARG A 83 4.019 10.390 8.707 1.00 0.00 C ATOM 917 C ARG A 83 5.378 9.808 8.306 1.00 0.00 C ATOM 918 O ARG A 83 6.224 9.544 9.159 1.00 0.00 O ATOM 919 CB ARG A 83 3.098 9.275 9.198 1.00 0.00 C ATOM 920 CG ARG A 83 3.256 8.944 10.671 1.00 0.00 C ATOM 921 CD ARG A 83 2.398 7.750 11.054 1.00 0.00 C ATOM 922 NE ARG A 83 2.353 7.527 12.498 1.00 0.00 N ATOM 923 CZ ARG A 83 3.151 6.684 13.146 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.136 6.066 12.511 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.978 6.464 14.440 1.00 0.00 N ATOM 0 H ARG A 83 2.514 10.672 7.277 1.00 0.00 H new ATOM 0 HA ARG A 83 4.188 11.108 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.064 9.564 9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.289 8.376 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.302 8.730 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.975 9.807 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.385 7.902 10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.786 6.857 10.565 1.00 0.00 H new ATOM 0 HE ARG A 83 1.667 8.050 13.042 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.287 6.235 11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.743 5.421 13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.230 6.942 14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.592 5.816 14.934 1.00 0.00 H new ATOM 938 N LEU A 84 5.579 9.607 7.008 1.00 0.00 N ATOM 939 CA LEU A 84 6.835 9.068 6.496 1.00 0.00 C ATOM 940 C LEU A 84 7.854 10.188 6.264 1.00 0.00 C ATOM 941 O LEU A 84 8.961 9.950 5.776 1.00 0.00 O ATOM 942 CB LEU A 84 6.583 8.315 5.188 1.00 0.00 C ATOM 943 CG LEU A 84 7.730 7.429 4.703 1.00 0.00 C ATOM 944 CD1 LEU A 84 7.920 6.237 5.631 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.467 6.969 3.282 1.00 0.00 C ATOM 0 H LEU A 84 4.885 9.810 6.288 1.00 0.00 H new ATOM 0 HA LEU A 84 7.242 8.380 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.696 7.694 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.356 9.043 4.409 1.00 0.00 H new ATOM 0 HG LEU A 84 8.651 8.012 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.741 5.620 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.150 6.591 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.005 5.645 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.290 6.338 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.538 6.401 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.384 7.837 2.628 1.00 0.00 H new ATOM 957 N ASN A 85 7.456 11.409 6.623 1.00 0.00 N ATOM 958 CA ASN A 85 8.287 12.603 6.449 1.00 0.00 C ATOM 959 C ASN A 85 8.552 12.850 4.964 1.00 0.00 C ATOM 960 O ASN A 85 9.692 12.994 4.523 1.00 0.00 O ATOM 961 CB ASN A 85 9.602 12.479 7.238 1.00 0.00 C ATOM 962 CG ASN A 85 10.351 13.802 7.359 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.090 14.595 8.267 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.299 14.042 6.466 1.00 0.00 N ATOM 0 H ASN A 85 6.546 11.599 7.044 1.00 0.00 H new ATOM 0 HA ASN A 85 7.747 13.462 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.386 12.097 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.245 11.747 6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.840 14.905 6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.488 13.364 5.728 1.00 0.00 H new ATOM 971 N CYS A 86 7.479 12.878 4.190 1.00 0.00 N ATOM 972 CA CYS A 86 7.575 13.130 2.760 1.00 0.00 C ATOM 973 C CYS A 86 6.760 14.353 2.351 1.00 0.00 C ATOM 974 O CYS A 86 7.311 15.444 2.206 1.00 0.00 O ATOM 975 CB CYS A 86 7.136 11.902 1.961 1.00 0.00 C ATOM 976 SG CYS A 86 8.409 10.613 1.823 1.00 0.00 S ATOM 0 H CYS A 86 6.528 12.729 4.529 1.00 0.00 H new ATOM 0 HA CYS A 86 8.621 13.336 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.250 11.474 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.845 12.219 0.960 1.00 0.00 H new ATOM 981 N GLY A 87 5.450 14.182 2.194 1.00 0.00 N ATOM 982 CA GLY A 87 4.611 15.273 1.746 1.00 0.00 C ATOM 983 C GLY A 87 3.274 14.791 1.223 1.00 0.00 C ATOM 984 O GLY A 87 2.610 13.977 1.863 1.00 0.00 O ATOM 0 H GLY A 87 4.957 13.306 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.448 15.966 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.127 15.827 0.962 1.00 0.00 H new ATOM 988 N ASP A 88 2.884 15.290 0.055 1.00 0.00 N ATOM 989 CA ASP A 88 1.621 14.903 -0.569 1.00 0.00 C ATOM 990 C ASP A 88 1.764 13.548 -1.253 1.00 0.00 C ATOM 991 O ASP A 88 2.859 13.173 -1.678 1.00 0.00 O ATOM 992 CB ASP A 88 1.192 15.938 -1.618 1.00 0.00 C ATOM 993 CG ASP A 88 1.220 17.362 -1.105 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.239 17.792 -0.468 1.00 0.00 O ATOM 995 OD2 ASP A 88 2.222 18.066 -1.353 1.00 0.00 O ATOM 0 H ASP A 88 3.426 15.967 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 88 0.866 14.847 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.848 15.859 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.184 15.702 -1.959 1.00 0.00 H new ATOM 1000 N PRO A 89 0.664 12.790 -1.357 1.00 0.00 N ATOM 1001 CA PRO A 89 0.627 11.541 -2.097 1.00 0.00 C ATOM 1002 C PRO A 89 0.315 11.783 -3.571 1.00 0.00 C ATOM 1003 O PRO A 89 -0.825 12.077 -3.941 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.501 10.751 -1.423 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.216 11.712 -0.521 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.638 13.081 -0.759 1.00 0.00 C ATOM 0 HA PRO A 89 1.582 11.016 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.182 10.337 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.100 9.911 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.286 11.707 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.093 11.421 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.265 13.673 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.539 13.644 0.169 1.00 0.00 H new ATOM 1014 N LEU A 90 1.333 11.664 -4.405 1.00 0.00 N ATOM 1015 CA LEU A 90 1.207 11.985 -5.816 1.00 0.00 C ATOM 1016 C LEU A 90 0.506 10.869 -6.574 1.00 0.00 C ATOM 1017 O LEU A 90 -0.408 11.120 -7.357 1.00 0.00 O ATOM 1018 CB LEU A 90 2.587 12.244 -6.427 1.00 0.00 C ATOM 1019 CG LEU A 90 3.379 13.401 -5.803 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.713 13.578 -6.516 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.573 14.693 -5.840 1.00 0.00 C ATOM 0 H LEU A 90 2.261 11.345 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 90 0.602 12.888 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.180 11.333 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.462 12.444 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 90 3.576 13.157 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.262 14.402 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.297 12.662 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.536 13.797 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.155 15.498 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.339 14.946 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.647 14.560 -5.280 1.00 0.00 H new ATOM 1033 N SER A 91 0.917 9.638 -6.321 1.00 0.00 N ATOM 1034 CA SER A 91 0.389 8.500 -7.057 1.00 0.00 C ATOM 1035 C SER A 91 0.167 7.312 -6.129 1.00 0.00 C ATOM 1036 O SER A 91 0.940 7.093 -5.196 1.00 0.00 O ATOM 1037 CB SER A 91 1.346 8.120 -8.188 1.00 0.00 C ATOM 1038 OG SER A 91 1.686 9.256 -8.968 1.00 0.00 O ATOM 0 H SER A 91 1.613 9.401 -5.614 1.00 0.00 H new ATOM 0 HA SER A 91 -0.573 8.780 -7.486 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.250 7.677 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.883 7.364 -8.822 1.00 0.00 H new ATOM 0 HG SER A 91 2.300 8.989 -9.684 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.892 6.555 -6.391 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.241 5.401 -5.570 1.00 0.00 C ATOM 1046 C LEU A 92 -1.870 4.323 -6.455 1.00 0.00 C ATOM 1047 O LEU A 92 -3.096 4.248 -6.584 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.225 5.828 -4.467 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.216 4.994 -3.171 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -3.164 5.601 -2.145 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.607 3.546 -3.435 1.00 0.00 C ATOM 0 H LEU A 92 -1.528 6.721 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.343 4.998 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.014 6.865 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.233 5.802 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.199 5.007 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.147 5.002 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.848 6.619 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.176 5.618 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.590 2.988 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.610 3.512 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.901 3.101 -4.136 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.030 3.502 -7.070 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.523 2.484 -7.981 1.00 0.00 C ATOM 1065 C GLY A 93 -0.524 1.362 -8.192 1.00 0.00 C ATOM 1066 O GLY A 93 0.425 1.233 -7.425 1.00 0.00 O ATOM 0 H GLY A 93 -0.017 3.521 -6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.452 2.070 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.758 2.943 -8.941 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.718 0.528 -9.228 1.00 0.00 N ATOM 1071 CA PRO A 94 0.195 -0.581 -9.539 1.00 0.00 C ATOM 1072 C PRO A 94 1.568 -0.080 -9.983 1.00 0.00 C ATOM 1073 O PRO A 94 1.709 0.487 -11.069 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.500 -1.320 -10.694 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.900 -0.804 -10.716 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.837 0.595 -10.179 1.00 0.00 C ATOM 0 HA PRO A 94 0.378 -1.212 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.003 -1.128 -11.641 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.482 -2.398 -10.536 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.303 -0.815 -11.729 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.554 -1.426 -10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.654 1.324 -10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.767 0.883 -9.689 1.00 0.00 H new ATOM 1084 N PHE A 95 2.581 -0.297 -9.153 1.00 0.00 N ATOM 1085 CA PHE A 95 3.908 0.241 -9.431 1.00 0.00 C ATOM 1086 C PHE A 95 4.816 -0.813 -10.060 1.00 0.00 C ATOM 1087 O PHE A 95 5.242 -0.669 -11.204 1.00 0.00 O ATOM 1088 CB PHE A 95 4.535 0.798 -8.147 1.00 0.00 C ATOM 1089 CG PHE A 95 5.772 1.627 -8.372 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.697 2.841 -9.035 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.007 1.194 -7.917 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.829 3.607 -9.241 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.143 1.955 -8.120 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.052 3.162 -8.784 1.00 0.00 C ATOM 0 H PHE A 95 2.511 -0.836 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 95 3.799 1.053 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.794 1.406 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.784 -0.033 -7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.742 3.193 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.083 0.250 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.756 4.552 -9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.100 1.606 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.938 3.758 -8.946 1.00 0.00 H new ATOM 1104 N LEU A 96 5.093 -1.881 -9.323 1.00 0.00 N ATOM 1105 CA LEU A 96 6.014 -2.913 -9.793 1.00 0.00 C ATOM 1106 C LEU A 96 5.338 -4.274 -9.805 1.00 0.00 C ATOM 1107 O LEU A 96 4.139 -4.383 -9.557 1.00 0.00 O ATOM 1108 CB LEU A 96 7.269 -2.971 -8.911 1.00 0.00 C ATOM 1109 CG LEU A 96 8.186 -1.742 -8.973 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.348 -1.898 -8.004 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.705 -1.519 -10.390 1.00 0.00 C ATOM 0 H LEU A 96 4.696 -2.057 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 96 6.309 -2.653 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.957 -3.116 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.850 -3.849 -9.195 1.00 0.00 H new ATOM 0 HG LEU A 96 7.602 -0.869 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.989 -1.018 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.964 -2.003 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.925 -2.785 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.352 -0.642 -10.407 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.270 -2.393 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.864 -1.362 -11.065 1.00 0.00 H new ATOM 1123 N LYS A 97 6.112 -5.309 -10.099 1.00 0.00 N ATOM 1124 CA LYS A 97 5.593 -6.664 -10.138 1.00 0.00 C ATOM 1125 C LYS A 97 6.621 -7.653 -9.584 1.00 0.00 C ATOM 1126 O LYS A 97 7.363 -8.290 -10.327 1.00 0.00 O ATOM 1127 CB LYS A 97 5.180 -7.044 -11.573 1.00 0.00 C ATOM 1128 CG LYS A 97 6.280 -6.864 -12.607 1.00 0.00 C ATOM 1129 CD LYS A 97 5.823 -7.287 -13.991 1.00 0.00 C ATOM 1130 CE LYS A 97 6.967 -7.232 -14.988 1.00 0.00 C ATOM 1131 NZ LYS A 97 6.521 -7.548 -16.370 1.00 0.00 N ATOM 0 H LYS A 97 7.106 -5.233 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 97 4.706 -6.711 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.855 -8.084 -11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.321 -6.439 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.591 -5.820 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.152 -7.450 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.421 -8.299 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.015 -6.636 -14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.415 -6.238 -14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.743 -7.937 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.334 -7.499 -17.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.117 -8.506 -16.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.800 -6.861 -16.668 1.00 0.00 H new ATOM 1144 N THR A 98 6.670 -7.753 -8.265 1.00 0.00 N ATOM 1145 CA THR A 98 7.576 -8.679 -7.599 1.00 0.00 C ATOM 1146 C THR A 98 7.026 -10.103 -7.662 1.00 0.00 C ATOM 1147 O THR A 98 7.789 -11.061 -7.793 1.00 0.00 O ATOM 1148 CB THR A 98 7.780 -8.264 -6.129 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.094 -6.867 -6.067 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.898 -9.068 -5.475 1.00 0.00 C ATOM 0 H THR A 98 6.091 -7.202 -7.631 1.00 0.00 H new ATOM 0 HA THR A 98 8.536 -8.648 -8.114 1.00 0.00 H new ATOM 0 HB THR A 98 6.856 -8.465 -5.586 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.061 -6.754 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.016 -8.751 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.648 -10.129 -5.504 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.830 -8.900 -6.014 1.00 0.00 H new ATOM 1158 N TYR A 99 5.700 -10.228 -7.605 1.00 0.00 N ATOM 1159 CA TYR A 99 5.032 -11.531 -7.682 1.00 0.00 C ATOM 1160 C TYR A 99 5.626 -12.549 -6.707 1.00 0.00 C ATOM 1161 O TYR A 99 6.169 -13.579 -7.113 1.00 0.00 O ATOM 1162 CB TYR A 99 5.077 -12.087 -9.108 1.00 0.00 C ATOM 1163 CG TYR A 99 3.971 -11.561 -9.997 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.692 -12.098 -9.924 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.199 -10.534 -10.905 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.672 -11.628 -10.727 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.181 -10.057 -11.712 1.00 0.00 C ATOM 1168 CZ TYR A 99 1.921 -10.607 -11.619 1.00 0.00 C ATOM 1169 OH TYR A 99 0.905 -10.135 -12.420 1.00 0.00 O ATOM 0 H TYR A 99 5.062 -9.438 -7.505 1.00 0.00 H new ATOM 0 HA TYR A 99 3.994 -11.365 -7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.040 -11.840 -9.555 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.013 -13.174 -9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.492 -12.898 -9.226 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.186 -10.102 -10.982 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.684 -12.058 -10.657 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.373 -9.257 -12.412 1.00 0.00 H new ATOM 0 HH TYR A 99 1.246 -9.415 -12.991 1.00 0.00 H new ATOM 1179 N THR A 100 5.535 -12.241 -5.424 1.00 0.00 N ATOM 1180 CA THR A 100 5.881 -13.194 -4.383 1.00 0.00 C ATOM 1181 C THR A 100 4.629 -13.526 -3.575 1.00 0.00 C ATOM 1182 O THR A 100 4.350 -12.890 -2.554 1.00 0.00 O ATOM 1183 CB THR A 100 6.982 -12.647 -3.451 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.120 -12.236 -4.224 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.407 -13.704 -2.439 1.00 0.00 C ATOM 0 H THR A 100 5.223 -11.334 -5.077 1.00 0.00 H new ATOM 0 HA THR A 100 6.272 -14.094 -4.857 1.00 0.00 H new ATOM 0 HB THR A 100 6.579 -11.789 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.814 -11.888 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.184 -13.297 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.548 -13.996 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.794 -14.577 -2.965 1.00 0.00 H new ATOM 1193 N PRO A 101 3.852 -14.526 -4.036 1.00 0.00 N ATOM 1194 CA PRO A 101 2.543 -14.868 -3.466 1.00 0.00 C ATOM 1195 C PRO A 101 2.644 -15.576 -2.116 1.00 0.00 C ATOM 1196 O PRO A 101 2.130 -16.681 -1.938 1.00 0.00 O ATOM 1197 CB PRO A 101 1.914 -15.800 -4.516 1.00 0.00 C ATOM 1198 CG PRO A 101 2.834 -15.771 -5.694 1.00 0.00 C ATOM 1199 CD PRO A 101 4.187 -15.417 -5.154 1.00 0.00 C ATOM 0 HA PRO A 101 1.955 -13.972 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.810 -16.813 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.916 -15.460 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.855 -16.738 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.503 -15.037 -6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.736 -16.298 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.806 -14.919 -5.900 1.00 0.00 H new ATOM 1207 N GLN A 102 3.326 -14.929 -1.185 1.00 0.00 N ATOM 1208 CA GLN A 102 3.431 -15.400 0.190 1.00 0.00 C ATOM 1209 C GLN A 102 3.511 -14.204 1.129 1.00 0.00 C ATOM 1210 O GLN A 102 2.784 -14.124 2.118 1.00 0.00 O ATOM 1211 CB GLN A 102 4.661 -16.296 0.391 1.00 0.00 C ATOM 1212 CG GLN A 102 4.594 -17.618 -0.354 1.00 0.00 C ATOM 1213 CD GLN A 102 5.709 -18.567 0.038 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.567 -19.353 0.975 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.822 -18.511 -0.675 1.00 0.00 N ATOM 0 H GLN A 102 3.826 -14.057 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 102 2.545 -15.995 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.549 -15.753 0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.781 -16.497 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.633 -18.093 -0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.643 -17.429 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.902 -17.846 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.600 -19.133 -0.455 1.00 0.00 H new ATOM 1224 N SER A 103 4.395 -13.271 0.798 1.00 0.00 N ATOM 1225 CA SER A 103 4.602 -12.081 1.612 1.00 0.00 C ATOM 1226 C SER A 103 3.682 -10.947 1.165 1.00 0.00 C ATOM 1227 O SER A 103 3.604 -9.901 1.815 1.00 0.00 O ATOM 1228 CB SER A 103 6.061 -11.644 1.508 1.00 0.00 C ATOM 1229 OG SER A 103 6.928 -12.744 1.724 1.00 0.00 O ATOM 0 H SER A 103 4.983 -13.317 -0.034 1.00 0.00 H new ATOM 0 HA SER A 103 4.364 -12.320 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.248 -11.214 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.266 -10.863 2.241 1.00 0.00 H new ATOM 0 HG SER A 103 7.859 -12.446 1.652 1.00 0.00 H new ATOM 1235 N SER A 104 2.996 -11.155 0.052 1.00 0.00 N ATOM 1236 CA SER A 104 2.087 -10.158 -0.476 1.00 0.00 C ATOM 1237 C SER A 104 0.666 -10.399 0.033 1.00 0.00 C ATOM 1238 O SER A 104 0.217 -11.545 0.147 1.00 0.00 O ATOM 1239 CB SER A 104 2.119 -10.183 -2.007 1.00 0.00 C ATOM 1240 OG SER A 104 1.838 -11.484 -2.499 1.00 0.00 O ATOM 0 H SER A 104 3.054 -12.009 -0.502 1.00 0.00 H new ATOM 0 HA SER A 104 2.408 -9.175 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.390 -9.476 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.099 -9.861 -2.359 1.00 0.00 H new ATOM 0 HG SER A 104 2.667 -12.005 -2.538 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.028 -9.316 0.344 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.408 -9.379 0.798 1.00 0.00 C ATOM 1248 C ILE A 105 -2.283 -8.490 -0.071 1.00 0.00 C ATOM 1249 O ILE A 105 -1.803 -7.529 -0.670 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.558 -8.930 2.269 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -0.898 -7.559 2.465 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.973 -9.976 3.214 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.169 -6.926 3.810 1.00 0.00 C ATOM 0 H ILE A 105 0.349 -8.370 0.289 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.721 -10.420 0.721 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.617 -8.834 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.179 -7.666 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.247 -6.885 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.089 -9.641 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.497 -10.922 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.086 -10.114 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.666 -5.960 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.242 -6.784 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.794 -7.576 4.600 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.558 -8.811 -0.142 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.497 -8.002 -0.891 1.00 0.00 C ATOM 1267 C ILE A 106 -5.633 -7.558 0.026 1.00 0.00 C ATOM 1268 O ILE A 106 -6.264 -8.375 0.705 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.040 -8.748 -2.139 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.961 -7.840 -2.952 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -5.760 -10.030 -1.745 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -6.478 -8.479 -4.226 1.00 0.00 C ATOM 0 H ILE A 106 -3.969 -9.628 0.311 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.972 -7.121 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.188 -9.021 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.809 -7.549 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.424 -6.926 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.129 -10.530 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.068 -10.689 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.599 -9.790 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.125 -7.775 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.637 -8.745 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.044 -9.377 -3.979 1.00 0.00 H new ATOM 1284 N CYS A 107 -5.861 -6.259 0.083 1.00 0.00 N ATOM 1285 CA CYS A 107 -6.841 -5.705 1.000 1.00 0.00 C ATOM 1286 C CYS A 107 -8.185 -5.510 0.315 1.00 0.00 C ATOM 1287 O CYS A 107 -8.275 -4.861 -0.723 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.344 -4.371 1.567 1.00 0.00 C ATOM 1289 SG CYS A 107 -4.744 -4.488 2.434 1.00 0.00 S ATOM 0 H CYS A 107 -5.382 -5.568 -0.494 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.974 -6.414 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.253 -3.652 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.092 -3.979 2.256 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.224 -6.091 0.889 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.575 -5.871 0.410 1.00 0.00 C ATOM 1296 C TYR A 108 -11.303 -4.966 1.386 1.00 0.00 C ATOM 1297 O TYR A 108 -10.958 -4.919 2.566 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.326 -7.197 0.247 1.00 0.00 C ATOM 1299 CG TYR A 108 -10.789 -8.069 -0.867 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -10.884 -7.665 -2.195 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.196 -9.299 -0.596 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.406 -8.461 -3.219 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.716 -10.101 -1.616 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.823 -9.676 -2.925 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.348 -10.470 -3.946 1.00 0.00 O ATOM 0 H TYR A 108 -9.156 -6.720 1.689 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.532 -5.396 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.276 -7.750 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.378 -6.987 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.339 -6.714 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.109 -9.633 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.489 -8.133 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.260 -11.054 -1.390 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.966 -11.291 -3.571 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.289 -4.239 0.900 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.024 -3.339 1.755 1.00 0.00 C ATOM 1317 C GLY A 109 -13.015 -1.922 1.226 1.00 0.00 C ATOM 1318 O GLY A 109 -12.958 -1.706 0.014 1.00 0.00 O ATOM 0 H GLY A 109 -12.595 -4.255 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.053 -3.685 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.592 -3.355 2.756 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.073 -0.959 2.128 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.118 0.440 1.741 1.00 0.00 C ATOM 1324 C GLN A 110 -11.710 1.025 1.718 1.00 0.00 C ATOM 1325 O GLN A 110 -10.884 0.709 2.579 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.009 1.225 2.707 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.365 2.619 2.216 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.295 3.352 3.159 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.099 2.737 3.865 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.199 4.671 3.174 1.00 0.00 N ATOM 0 H GLN A 110 -13.090 -1.120 3.135 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.541 0.516 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.928 0.664 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.503 1.307 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.451 3.199 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.834 2.545 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.520 5.140 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.804 5.219 3.786 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.447 1.863 0.718 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.140 2.488 0.533 1.00 0.00 C ATOM 1341 C LEU A 111 -9.664 3.157 1.815 1.00 0.00 C ATOM 1342 O LEU A 111 -10.329 4.043 2.349 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.209 3.519 -0.604 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.936 4.345 -0.835 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.767 3.458 -1.238 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.183 5.408 -1.892 1.00 0.00 C ATOM 0 H LEU A 111 -12.135 2.128 0.013 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.424 1.709 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.453 2.996 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.032 4.204 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.677 4.834 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.881 4.073 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.571 2.733 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.011 2.932 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.272 5.987 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.472 4.930 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.982 6.071 -1.561 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.516 2.713 2.306 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.967 3.269 3.522 1.00 0.00 C ATOM 1360 C GLY A 112 -8.096 2.316 4.694 1.00 0.00 C ATOM 1361 O GLY A 112 -7.491 2.526 5.744 1.00 0.00 O ATOM 0 H GLY A 112 -7.955 1.975 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.916 3.512 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.478 4.203 3.756 1.00 0.00 H new ATOM 1365 N SER A 113 -8.884 1.266 4.517 1.00 0.00 N ATOM 1366 CA SER A 113 -9.093 0.287 5.568 1.00 0.00 C ATOM 1367 C SER A 113 -8.247 -0.963 5.330 1.00 0.00 C ATOM 1368 O SER A 113 -8.448 -1.688 4.356 1.00 0.00 O ATOM 1369 CB SER A 113 -10.577 -0.086 5.645 1.00 0.00 C ATOM 1370 OG SER A 113 -10.818 -1.068 6.639 1.00 0.00 O ATOM 0 H SER A 113 -9.389 1.072 3.653 1.00 0.00 H new ATOM 0 HA SER A 113 -8.784 0.729 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.166 0.805 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.910 -0.459 4.676 1.00 0.00 H new ATOM 0 HG SER A 113 -11.774 -1.282 6.662 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.286 -1.190 6.217 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.496 -2.416 6.208 1.00 0.00 C ATOM 1378 C PHE A 114 -7.029 -3.353 7.287 1.00 0.00 C ATOM 1379 O PHE A 114 -6.262 -4.003 7.994 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.013 -2.120 6.477 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.364 -1.196 5.484 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.406 0.180 5.666 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.694 -1.700 4.381 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.797 1.029 4.769 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.079 -0.852 3.479 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.132 0.515 3.675 1.00 0.00 C ATOM 0 H PHE A 114 -7.033 -0.536 6.957 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.578 -2.879 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.919 -1.685 7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.465 -3.062 6.487 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.923 0.589 6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.652 -2.768 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.840 2.097 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.559 -1.257 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.653 1.181 2.972 1.00 0.00 H new ATOM 1396 N SER A 115 -8.355 -3.392 7.410 1.00 0.00 N ATOM 1397 CA SER A 115 -9.029 -4.140 8.468 1.00 0.00 C ATOM 1398 C SER A 115 -8.557 -5.590 8.530 1.00 0.00 C ATOM 1399 O SER A 115 -8.028 -6.042 9.548 1.00 0.00 O ATOM 1400 CB SER A 115 -10.543 -4.089 8.245 1.00 0.00 C ATOM 1401 OG SER A 115 -10.868 -4.415 6.902 1.00 0.00 O ATOM 0 H SER A 115 -8.991 -2.906 6.779 1.00 0.00 H new ATOM 0 HA SER A 115 -8.778 -3.675 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.038 -4.785 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.916 -3.093 8.482 1.00 0.00 H new ATOM 0 HG SER A 115 -11.840 -4.378 6.782 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.759 -6.311 7.440 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.323 -7.693 7.344 1.00 0.00 C ATOM 1409 C ASN A 116 -7.920 -8.005 5.913 1.00 0.00 C ATOM 1410 O ASN A 116 -8.724 -8.498 5.116 1.00 0.00 O ATOM 1411 CB ASN A 116 -9.429 -8.652 7.811 1.00 0.00 C ATOM 1412 CG ASN A 116 -8.999 -10.108 7.760 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -7.822 -10.429 7.911 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -9.951 -11.005 7.564 1.00 0.00 N ATOM 0 H ASN A 116 -9.225 -5.959 6.604 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.461 -7.832 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -9.718 -8.398 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.311 -8.515 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.718 -11.998 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.918 -10.704 7.442 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.682 -7.677 5.581 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.147 -7.966 4.263 1.00 0.00 C ATOM 1423 C CYS A 117 -5.776 -9.438 4.176 1.00 0.00 C ATOM 1424 O CYS A 117 -5.129 -9.976 5.074 1.00 0.00 O ATOM 1425 CB CYS A 117 -4.927 -7.090 3.981 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.224 -5.309 4.226 1.00 0.00 S ATOM 0 H CYS A 117 -6.028 -7.209 6.209 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.906 -7.745 3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.109 -7.404 4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.602 -7.256 2.954 1.00 0.00 H new ATOM 1431 N SER A 118 -6.187 -10.083 3.099 1.00 0.00 N ATOM 1432 CA SER A 118 -6.017 -11.516 2.960 1.00 0.00 C ATOM 1433 C SER A 118 -4.810 -11.841 2.088 1.00 0.00 C ATOM 1434 O SER A 118 -4.348 -11.010 1.306 1.00 0.00 O ATOM 1435 CB SER A 118 -7.286 -12.125 2.366 1.00 0.00 C ATOM 1436 OG SER A 118 -8.419 -11.773 3.145 1.00 0.00 O ATOM 0 H SER A 118 -6.643 -9.633 2.305 1.00 0.00 H new ATOM 0 HA SER A 118 -5.839 -11.945 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.419 -11.776 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.190 -13.210 2.323 1.00 0.00 H new ATOM 0 HG SER A 118 -9.224 -12.169 2.750 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.297 -13.050 2.258 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.173 -13.546 1.475 1.00 0.00 C ATOM 1444 C HIS A 119 -3.525 -13.570 -0.013 1.00 0.00 C ATOM 1445 O HIS A 119 -4.564 -14.108 -0.404 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.800 -14.948 1.970 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.723 -15.624 1.184 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.970 -16.687 0.346 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.390 -15.399 1.125 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.838 -17.090 -0.196 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.137 -16.323 0.261 1.00 0.00 N ATOM 0 H HIS A 119 -4.649 -13.717 2.944 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.318 -12.881 1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.482 -14.878 3.010 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.692 -15.574 1.951 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.887 -17.099 0.171 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.156 -14.635 1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.726 -17.907 -0.894 1.00 0.00 H new ATOM 1459 N SER A 120 -2.659 -12.977 -0.829 1.00 0.00 N ATOM 1460 CA SER A 120 -2.909 -12.859 -2.258 1.00 0.00 C ATOM 1461 C SER A 120 -2.925 -14.224 -2.939 1.00 0.00 C ATOM 1462 O SER A 120 -1.933 -14.952 -2.925 1.00 0.00 O ATOM 1463 CB SER A 120 -1.845 -11.974 -2.905 1.00 0.00 C ATOM 1464 OG SER A 120 -1.714 -10.750 -2.204 1.00 0.00 O ATOM 0 H SER A 120 -1.776 -12.570 -0.522 1.00 0.00 H new ATOM 0 HA SER A 120 -3.892 -12.405 -2.386 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.888 -12.496 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.112 -11.777 -3.943 1.00 0.00 H new ATOM 0 HG SER A 120 -1.027 -10.199 -2.633 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.066 -14.567 -3.518 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.204 -15.794 -4.285 1.00 0.00 C ATOM 1472 C ARG A 121 -4.691 -15.439 -5.687 1.00 0.00 C ATOM 1473 O ARG A 121 -5.826 -15.728 -6.061 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.187 -16.749 -3.591 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.284 -18.126 -4.231 1.00 0.00 C ATOM 1476 CD ARG A 121 -3.991 -18.910 -4.082 1.00 0.00 C ATOM 1477 NE ARG A 121 -4.070 -20.211 -4.745 1.00 0.00 N ATOM 1478 CZ ARG A 121 -3.114 -21.133 -4.695 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -2.007 -20.905 -4.008 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -3.257 -22.278 -5.342 1.00 0.00 N ATOM 0 H ARG A 121 -4.917 -14.006 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.241 -16.301 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.887 -16.866 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.177 -16.293 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.101 -18.683 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.524 -18.019 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.166 -18.336 -4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.772 -19.053 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.912 -20.424 -5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.886 -20.020 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.275 -21.614 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.104 -22.456 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.521 -22.983 -5.301 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.827 -14.787 -6.448 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.207 -14.248 -7.747 1.00 0.00 C ATOM 1495 C ASN A 122 -3.239 -14.705 -8.830 1.00 0.00 C ATOM 1496 O ASN A 122 -2.074 -14.989 -8.556 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.222 -12.713 -7.699 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.166 -12.160 -6.645 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.787 -11.979 -5.488 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.395 -11.873 -7.041 1.00 0.00 N ATOM 0 H ASN A 122 -2.855 -14.617 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.204 -14.618 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.213 -12.352 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.512 -12.327 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.067 -11.487 -6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.670 -12.038 -8.009 1.00 0.00 H new ATOM 1507 N ASP A 123 -3.740 -14.788 -10.056 1.00 0.00 N ATOM 1508 CA ASP A 123 -2.908 -15.121 -11.208 1.00 0.00 C ATOM 1509 C ASP A 123 -2.117 -13.900 -11.648 1.00 0.00 C ATOM 1510 O ASP A 123 -0.966 -14.007 -12.068 1.00 0.00 O ATOM 1511 CB ASP A 123 -3.760 -15.614 -12.382 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.585 -16.836 -12.049 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -5.730 -16.670 -11.581 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -4.101 -17.967 -12.274 1.00 0.00 O ATOM 0 H ASP A 123 -4.722 -14.629 -10.280 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.228 -15.918 -10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.425 -14.811 -12.702 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.108 -15.843 -13.225 1.00 0.00 H new ATOM 1519 N MET A 124 -2.753 -12.740 -11.549 1.00 0.00 N ATOM 1520 CA MET A 124 -2.129 -11.486 -11.930 1.00 0.00 C ATOM 1521 C MET A 124 -2.401 -10.424 -10.874 1.00 0.00 C ATOM 1522 O MET A 124 -3.554 -10.170 -10.526 1.00 0.00 O ATOM 1523 CB MET A 124 -2.660 -11.013 -13.285 1.00 0.00 C ATOM 1524 CG MET A 124 -2.064 -9.690 -13.739 1.00 0.00 C ATOM 1525 SD MET A 124 -2.878 -9.015 -15.200 1.00 0.00 S ATOM 1526 CE MET A 124 -4.546 -8.790 -14.586 1.00 0.00 C ATOM 0 H MET A 124 -3.708 -12.645 -11.205 1.00 0.00 H new ATOM 0 HA MET A 124 -1.054 -11.647 -12.010 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.449 -11.775 -14.036 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.744 -10.914 -13.228 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.133 -8.968 -12.925 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.004 -9.829 -13.952 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.055 -8.035 -15.185 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.089 -9.733 -14.653 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.510 -8.465 -13.546 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.342 -9.821 -10.362 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.459 -8.770 -9.366 1.00 0.00 C ATOM 1538 C CYS A 125 -0.108 -8.091 -9.208 1.00 0.00 C ATOM 1539 O CYS A 125 0.928 -8.753 -9.191 1.00 0.00 O ATOM 1540 CB CYS A 125 -1.934 -9.338 -8.022 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.417 -8.067 -6.803 1.00 0.00 S ATOM 0 H CYS A 125 -0.382 -10.045 -10.623 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.200 -8.043 -9.697 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.783 -9.998 -8.199 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -1.138 -9.950 -7.597 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.117 -6.775 -9.117 1.00 0.00 N ATOM 1547 CA HIS A 126 1.117 -6.013 -9.053 1.00 0.00 C ATOM 1548 C HIS A 126 1.337 -5.464 -7.653 1.00 0.00 C ATOM 1549 O HIS A 126 0.436 -5.493 -6.821 1.00 0.00 O ATOM 1550 CB HIS A 126 1.079 -4.876 -10.077 1.00 0.00 C ATOM 1551 CG HIS A 126 1.455 -5.305 -11.465 1.00 0.00 C ATOM 1552 ND1 HIS A 126 2.023 -4.452 -12.390 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.344 -6.505 -12.083 1.00 0.00 C ATOM 1554 CE1 HIS A 126 2.248 -5.110 -13.511 1.00 0.00 C ATOM 1555 NE2 HIS A 126 1.845 -6.357 -13.352 1.00 0.00 N ATOM 0 H HIS A 126 -0.966 -6.210 -9.086 1.00 0.00 H new ATOM 0 HA HIS A 126 1.950 -6.674 -9.291 1.00 0.00 H new ATOM 0 HB2 HIS A 126 0.076 -4.449 -10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.756 -4.085 -9.754 1.00 0.00 H new ATOM 0 HD2 HIS A 126 0.937 -7.410 -11.657 1.00 0.00 H new ATOM 0 HE1 HIS A 126 2.688 -4.698 -14.407 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.897 -7.091 -14.058 1.00 0.00 H new ATOM 1563 N SER A 127 2.543 -4.989 -7.396 1.00 0.00 N ATOM 1564 CA SER A 127 2.866 -4.380 -6.122 1.00 0.00 C ATOM 1565 C SER A 127 2.314 -2.958 -6.076 1.00 0.00 C ATOM 1566 O SER A 127 2.540 -2.169 -7.002 1.00 0.00 O ATOM 1567 CB SER A 127 4.382 -4.360 -5.931 1.00 0.00 C ATOM 1568 OG SER A 127 4.945 -5.648 -6.137 1.00 0.00 O ATOM 0 H SER A 127 3.318 -5.015 -8.059 1.00 0.00 H new ATOM 0 HA SER A 127 2.414 -4.962 -5.319 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.829 -3.650 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.619 -4.014 -4.925 1.00 0.00 H new ATOM 0 HG SER A 127 5.709 -5.771 -5.535 1.00 0.00 H new ATOM 1574 N LEU A 128 1.581 -2.633 -5.016 1.00 0.00 N ATOM 1575 CA LEU A 128 0.994 -1.308 -4.877 1.00 0.00 C ATOM 1576 C LEU A 128 2.090 -0.287 -4.611 1.00 0.00 C ATOM 1577 O LEU A 128 2.857 -0.421 -3.655 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.030 -1.275 -3.741 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.888 -0.009 -3.670 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.880 0.036 -4.826 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.616 0.064 -2.338 1.00 0.00 C ATOM 0 H LEU A 128 1.381 -3.268 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 128 0.480 -1.062 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.690 -2.136 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.498 -1.390 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.230 0.856 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.479 0.944 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.337 0.031 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.534 -0.835 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.221 0.970 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.261 -0.808 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.889 0.083 -1.526 1.00 0.00 H new ATOM 1593 N GLY A 129 2.161 0.723 -5.458 1.00 0.00 N ATOM 1594 CA GLY A 129 3.201 1.716 -5.345 1.00 0.00 C ATOM 1595 C GLY A 129 2.664 3.063 -4.939 1.00 0.00 C ATOM 1596 O GLY A 129 1.848 3.659 -5.653 1.00 0.00 O ATOM 0 H GLY A 129 1.510 0.873 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.938 1.385 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.719 1.807 -6.300 1.00 0.00 H new ATOM 1600 N LEU A 130 3.114 3.542 -3.794 1.00 0.00 N ATOM 1601 CA LEU A 130 2.711 4.845 -3.307 1.00 0.00 C ATOM 1602 C LEU A 130 3.836 5.842 -3.544 1.00 0.00 C ATOM 1603 O LEU A 130 4.941 5.681 -3.023 1.00 0.00 O ATOM 1604 CB LEU A 130 2.363 4.783 -1.816 1.00 0.00 C ATOM 1605 CG LEU A 130 1.916 6.110 -1.191 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.657 6.639 -1.869 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.684 5.935 0.302 1.00 0.00 C ATOM 0 H LEU A 130 3.762 3.044 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 130 1.821 5.166 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.570 4.049 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.234 4.419 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 130 2.710 6.842 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.363 7.581 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.855 6.802 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.148 5.913 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.367 6.884 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.910 5.185 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.609 5.610 0.778 1.00 0.00 H new ATOM 1619 N THR A 131 3.562 6.847 -4.355 1.00 0.00 N ATOM 1620 CA THR A 131 4.544 7.871 -4.651 1.00 0.00 C ATOM 1621 C THR A 131 4.277 9.116 -3.817 1.00 0.00 C ATOM 1622 O THR A 131 3.349 9.878 -4.100 1.00 0.00 O ATOM 1623 CB THR A 131 4.532 8.251 -6.147 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.796 7.092 -6.949 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.569 9.327 -6.444 1.00 0.00 C ATOM 0 H THR A 131 2.664 6.975 -4.821 1.00 0.00 H new ATOM 0 HA THR A 131 5.524 7.464 -4.404 1.00 0.00 H new ATOM 0 HB THR A 131 3.545 8.645 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.785 7.341 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.540 9.577 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.348 10.217 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.561 8.957 -6.185 1.00 0.00 H new ATOM 1633 N CYS A 132 5.069 9.306 -2.779 1.00 0.00 N ATOM 1634 CA CYS A 132 4.970 10.501 -1.962 1.00 0.00 C ATOM 1635 C CYS A 132 5.875 11.586 -2.539 1.00 0.00 C ATOM 1636 O CYS A 132 6.836 11.289 -3.250 1.00 0.00 O ATOM 1637 CB CYS A 132 5.347 10.181 -0.513 1.00 0.00 C ATOM 1638 SG CYS A 132 4.301 8.902 0.262 1.00 0.00 S ATOM 0 H CYS A 132 5.789 8.648 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 132 3.943 10.865 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.386 9.853 -0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.284 11.095 0.078 1.00 0.00 H new ATOM 1643 N LEU A 133 5.542 12.842 -2.265 1.00 0.00 N ATOM 1644 CA LEU A 133 6.279 13.967 -2.824 1.00 0.00 C ATOM 1645 C LEU A 133 7.668 14.082 -2.200 1.00 0.00 C ATOM 1646 O LEU A 133 7.845 14.716 -1.157 1.00 0.00 O ATOM 1647 CB LEU A 133 5.491 15.269 -2.618 1.00 0.00 C ATOM 1648 CG LEU A 133 5.810 16.410 -3.599 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.807 17.540 -3.441 1.00 0.00 C ATOM 1650 CD2 LEU A 133 7.222 16.944 -3.399 1.00 0.00 C ATOM 0 H LEU A 133 4.766 13.106 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 133 6.405 13.793 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.427 15.042 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.674 15.625 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 133 5.741 16.003 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 133 5.046 18.340 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.803 17.167 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.851 17.925 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.411 17.749 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.326 17.325 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.941 16.141 -3.561 1.00 0.00 H new ATOM 1662 N GLU A 134 8.633 13.440 -2.840 1.00 0.00 N ATOM 1663 CA GLU A 134 10.037 13.620 -2.511 1.00 0.00 C ATOM 1664 C GLU A 134 10.735 14.276 -3.691 1.00 0.00 C ATOM 1665 O GLU A 134 11.179 15.433 -3.562 1.00 0.00 O ATOM 1666 CB GLU A 134 10.715 12.285 -2.183 1.00 0.00 C ATOM 1667 CG GLU A 134 12.171 12.438 -1.763 1.00 0.00 C ATOM 1668 CD GLU A 134 12.858 11.113 -1.513 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.433 10.545 -2.468 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.843 10.642 -0.355 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.793 13.644 -4.767 1.00 0.00 O ATOM 0 H GLU A 134 8.465 12.781 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 134 10.109 14.252 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.163 11.792 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.662 11.634 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.712 12.980 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.220 13.043 -0.858 1.00 0.00 H new