USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 946 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 52 TYR OH : rot 180:sc= 0.594 USER MOD Set 1.2: A 111 LYS NZ :NH3+ 160:sc= 1.01 (180deg=0.196) USER MOD Set 2.1: A 36 HIS : no HE2:sc= -0.0196 K(o=-0.089,f=-1.5) USER MOD Set 2.2: A 87 TYR OH : rot 70:sc= -0.0694 USER MOD Set 3.1: A 11 HIS : no HD1:sc= -0.304 X(o=-0.67,f=-0.75) USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0228) USER MOD Single : A 14 SER OG : rot -30:sc= 0.186 USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= 1.17 (180deg=0.353) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 155:sc= 0.112 USER MOD Single : A 37 SER OG : rot 57:sc= 0.48 USER MOD Single : A 39 SER OG : rot 180:sc= 0.103 USER MOD Single : A 43 GLN : amide:sc= 0.908 K(o=0.91,f=-0.0073) USER MOD Single : A 45 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.0033) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.0934 F(o=-0.69,f=-0.093) USER MOD Single : A 51 GLN : amide:sc= 0.491 K(o=0.49,f=-0.083) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.268 (180deg=-0.849) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0518 F(o=-0.55,f=-0.052) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.128 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -72:sc= 0.911 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.492) USER MOD Single : A 97 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.6) USER MOD Single : A 102 TYR OH : rot -91:sc= 0.202 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 112 SER OG : rot -135:sc= 1.28 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 175:sc= -1.15 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.253 -1.704 6.627 1.00 44.34 N ATOM 2 CA GLY A 1 23.990 -1.032 5.350 1.00 54.23 C ATOM 3 C GLY A 1 22.512 -0.919 5.041 1.00 62.12 C ATOM 4 O GLY A 1 22.134 -1.246 3.915 1.00 75.21 O ATOM 0 H1 GLY A 1 25.279 -1.754 6.788 1.00 44.34 H new ATOM 0 H2 GLY A 1 23.807 -1.169 7.399 1.00 44.34 H new ATOM 0 H3 GLY A 1 23.860 -2.666 6.600 1.00 44.34 H new ATOM 0 HA2 GLY A 1 24.429 -0.035 5.372 1.00 54.23 H new ATOM 0 HA3 GLY A 1 24.484 -1.580 4.548 1.00 54.23 H new ATOM 8 N MET A 2 21.684 -0.443 5.988 1.00 60.13 N ATOM 9 CA MET A 2 20.238 -0.263 5.804 1.00 31.25 C ATOM 10 C MET A 2 19.570 -1.595 5.385 1.00 14.53 C ATOM 11 O MET A 2 20.214 -2.645 5.375 1.00 4.12 O ATOM 12 CB MET A 2 20.052 0.939 4.859 1.00 4.41 C ATOM 13 CG MET A 2 18.842 1.811 5.225 1.00 42.21 C ATOM 14 SD MET A 2 19.253 3.246 6.245 1.00 1.33 S ATOM 15 CE MET A 2 19.835 4.356 4.932 1.00 44.13 C ATOM 0 H MET A 2 22.008 -0.169 6.916 1.00 60.13 H new ATOM 0 HA MET A 2 19.713 -0.017 6.727 1.00 31.25 H new ATOM 0 HB2 MET A 2 20.953 1.552 4.879 1.00 4.41 H new ATOM 0 HB3 MET A 2 19.935 0.576 3.838 1.00 4.41 H new ATOM 0 HG2 MET A 2 18.364 2.155 4.308 1.00 42.21 H new ATOM 0 HG3 MET A 2 18.112 1.198 5.755 1.00 42.21 H new ATOM 0 HE1 MET A 2 20.138 5.308 5.368 1.00 44.13 H new ATOM 0 HE2 MET A 2 20.686 3.903 4.423 1.00 44.13 H new ATOM 0 HE3 MET A 2 19.031 4.525 4.215 1.00 44.13 H new ATOM 25 N ARG A 3 18.263 -1.639 5.136 1.00 41.22 N ATOM 26 CA ARG A 3 17.556 -2.794 4.583 1.00 74.03 C ATOM 27 C ARG A 3 17.253 -2.482 3.121 1.00 42.23 C ATOM 28 O ARG A 3 16.179 -1.957 2.826 1.00 43.21 O ATOM 29 CB ARG A 3 16.284 -3.017 5.426 1.00 12.51 C ATOM 30 CG ARG A 3 16.503 -3.796 6.725 1.00 51.31 C ATOM 31 CD ARG A 3 16.518 -5.314 6.498 1.00 60.31 C ATOM 32 NE ARG A 3 17.800 -5.822 5.967 1.00 55.10 N ATOM 33 CZ ARG A 3 18.249 -7.085 6.033 1.00 13.34 C ATOM 34 NH1 ARG A 3 17.541 -8.055 6.597 1.00 72.21 N ATOM 35 NH2 ARG A 3 19.425 -7.393 5.497 1.00 51.20 N ATOM 0 H ARG A 3 17.647 -0.847 5.319 1.00 41.22 H new ATOM 0 HA ARG A 3 18.140 -3.713 4.620 1.00 74.03 H new ATOM 0 HB2 ARG A 3 15.852 -2.046 5.669 1.00 12.51 H new ATOM 0 HB3 ARG A 3 15.551 -3.549 4.819 1.00 12.51 H new ATOM 0 HG2 ARG A 3 17.447 -3.489 7.176 1.00 51.31 H new ATOM 0 HG3 ARG A 3 15.714 -3.545 7.434 1.00 51.31 H new ATOM 0 HD2 ARG A 3 16.301 -5.816 7.441 1.00 60.31 H new ATOM 0 HD3 ARG A 3 15.718 -5.577 5.806 1.00 60.31 H new ATOM 0 HE ARG A 3 18.405 -5.144 5.503 1.00 55.10 H new ATOM 0 HH11 ARG A 3 16.625 -7.851 6.997 1.00 72.21 H new ATOM 0 HH12 ARG A 3 17.912 -9.004 6.630 1.00 72.21 H new ATOM 0 HH21 ARG A 3 19.981 -6.671 5.039 1.00 51.20 H new ATOM 0 HH22 ARG A 3 19.772 -8.351 5.544 1.00 51.20 H new ATOM 49 N ILE A 4 18.226 -2.598 2.213 1.00 21.21 N ATOM 50 CA ILE A 4 18.023 -2.160 0.827 1.00 51.21 C ATOM 51 C ILE A 4 17.347 -3.319 0.105 1.00 13.12 C ATOM 52 O ILE A 4 17.874 -4.436 0.149 1.00 12.55 O ATOM 53 CB ILE A 4 19.318 -1.708 0.111 1.00 63.02 C ATOM 54 CG1 ILE A 4 19.928 -0.490 0.843 1.00 74.34 C ATOM 55 CG2 ILE A 4 18.977 -1.326 -1.350 1.00 51.11 C ATOM 56 CD1 ILE A 4 21.319 -0.052 0.389 1.00 53.42 C ATOM 0 H ILE A 4 19.149 -2.985 2.407 1.00 21.21 H new ATOM 0 HA ILE A 4 17.402 -1.264 0.818 1.00 51.21 H new ATOM 0 HB ILE A 4 20.044 -2.521 0.119 1.00 63.02 H new ATOM 0 HG12 ILE A 4 19.249 0.354 0.726 1.00 74.34 H new ATOM 0 HG13 ILE A 4 19.972 -0.718 1.908 1.00 74.34 H new ATOM 0 HG21 ILE A 4 19.884 -1.006 -1.863 1.00 51.11 H new ATOM 0 HG22 ILE A 4 18.555 -2.190 -1.863 1.00 51.11 H new ATOM 0 HG23 ILE A 4 18.252 -0.512 -1.354 1.00 51.11 H new ATOM 0 HD11 ILE A 4 21.639 0.810 0.975 1.00 53.42 H new ATOM 0 HD12 ILE A 4 22.024 -0.871 0.534 1.00 53.42 H new ATOM 0 HD13 ILE A 4 21.289 0.218 -0.666 1.00 53.42 H new ATOM 68 N PRO A 5 16.205 -3.090 -0.563 1.00 25.32 N ATOM 69 CA PRO A 5 15.615 -4.112 -1.389 1.00 42.34 C ATOM 70 C PRO A 5 16.447 -4.317 -2.641 1.00 34.12 C ATOM 71 O PRO A 5 16.838 -3.368 -3.333 1.00 13.32 O ATOM 72 CB PRO A 5 14.205 -3.649 -1.725 1.00 25.03 C ATOM 73 CG PRO A 5 14.318 -2.137 -1.643 1.00 50.33 C ATOM 74 CD PRO A 5 15.388 -1.889 -0.582 1.00 11.44 C ATOM 0 HA PRO A 5 15.581 -5.071 -0.873 1.00 42.34 H new ATOM 0 HB2 PRO A 5 13.897 -3.978 -2.717 1.00 25.03 H new ATOM 0 HB3 PRO A 5 13.472 -4.039 -1.018 1.00 25.03 H new ATOM 0 HG2 PRO A 5 14.605 -1.708 -2.603 1.00 50.33 H new ATOM 0 HG3 PRO A 5 13.368 -1.683 -1.362 1.00 50.33 H new ATOM 0 HD2 PRO A 5 15.987 -1.012 -0.827 1.00 11.44 H new ATOM 0 HD3 PRO A 5 14.938 -1.706 0.394 1.00 11.44 H new ATOM 82 N SER A 6 16.649 -5.594 -2.925 1.00 21.31 N ATOM 83 CA SER A 6 17.387 -6.112 -4.053 1.00 51.50 C ATOM 84 C SER A 6 16.634 -7.268 -4.723 1.00 53.50 C ATOM 85 O SER A 6 17.229 -8.149 -5.343 1.00 25.14 O ATOM 86 CB SER A 6 18.777 -6.471 -3.586 1.00 73.01 C ATOM 87 OG SER A 6 19.502 -5.297 -3.259 1.00 13.31 O ATOM 0 H SER A 6 16.277 -6.337 -2.334 1.00 21.31 H new ATOM 0 HA SER A 6 17.484 -5.357 -4.833 1.00 51.50 H new ATOM 0 HB2 SER A 6 18.719 -7.125 -2.716 1.00 73.01 H new ATOM 0 HB3 SER A 6 19.299 -7.024 -4.367 1.00 73.01 H new ATOM 0 HG SER A 6 20.401 -5.542 -2.956 1.00 13.31 H new ATOM 93 N ALA A 7 15.319 -7.268 -4.536 1.00 62.44 N ATOM 94 CA ALA A 7 14.249 -7.762 -5.383 1.00 43.20 C ATOM 95 C ALA A 7 13.065 -6.817 -5.153 1.00 63.03 C ATOM 96 O ALA A 7 12.437 -6.874 -4.092 1.00 2.54 O ATOM 97 CB ALA A 7 13.885 -9.197 -4.998 1.00 31.33 C ATOM 0 H ALA A 7 14.935 -6.871 -3.678 1.00 62.44 H new ATOM 0 HA ALA A 7 14.540 -7.782 -6.433 1.00 43.20 H new ATOM 0 HB1 ALA A 7 13.081 -9.554 -5.642 1.00 31.33 H new ATOM 0 HB2 ALA A 7 14.758 -9.839 -5.118 1.00 31.33 H new ATOM 0 HB3 ALA A 7 13.556 -9.223 -3.959 1.00 31.33 H new ATOM 103 N ILE A 8 12.803 -5.902 -6.084 1.00 65.22 N ATOM 104 CA ILE A 8 11.487 -5.295 -6.228 1.00 31.01 C ATOM 105 C ILE A 8 10.794 -6.157 -7.280 1.00 53.23 C ATOM 106 O ILE A 8 11.340 -6.375 -8.367 1.00 24.45 O ATOM 107 CB ILE A 8 11.571 -3.816 -6.687 1.00 4.42 C ATOM 108 CG1 ILE A 8 12.506 -2.919 -5.853 1.00 25.22 C ATOM 109 CG2 ILE A 8 10.170 -3.179 -6.786 1.00 23.41 C ATOM 110 CD1 ILE A 8 12.086 -2.709 -4.406 1.00 10.12 C ATOM 0 H ILE A 8 13.494 -5.564 -6.754 1.00 65.22 H new ATOM 0 HA ILE A 8 10.949 -5.265 -5.281 1.00 31.01 H new ATOM 0 HB ILE A 8 12.026 -3.869 -7.676 1.00 4.42 H new ATOM 0 HG12 ILE A 8 13.505 -3.354 -5.864 1.00 25.22 H new ATOM 0 HG13 ILE A 8 12.577 -1.946 -6.338 1.00 25.22 H new ATOM 0 HG21 ILE A 8 10.264 -2.143 -7.110 1.00 23.41 H new ATOM 0 HG22 ILE A 8 9.569 -3.732 -7.508 1.00 23.41 H new ATOM 0 HG23 ILE A 8 9.686 -3.212 -5.810 1.00 23.41 H new ATOM 0 HD11 ILE A 8 12.809 -2.064 -3.907 1.00 10.12 H new ATOM 0 HD12 ILE A 8 11.102 -2.241 -4.377 1.00 10.12 H new ATOM 0 HD13 ILE A 8 12.045 -3.671 -3.896 1.00 10.12 H new ATOM 122 N GLN A 9 9.592 -6.623 -6.966 1.00 70.41 N ATOM 123 CA GLN A 9 8.661 -7.207 -7.915 1.00 45.50 C ATOM 124 C GLN A 9 7.336 -6.520 -7.633 1.00 74.11 C ATOM 125 O GLN A 9 6.830 -6.670 -6.533 1.00 41.30 O ATOM 126 CB GLN A 9 8.565 -8.730 -7.700 1.00 50.21 C ATOM 127 CG GLN A 9 9.379 -9.528 -8.717 1.00 72.34 C ATOM 128 CD GLN A 9 8.913 -10.983 -8.794 1.00 61.02 C ATOM 129 OE1 GLN A 9 8.358 -11.404 -9.810 1.00 63.31 O ATOM 130 NE2 GLN A 9 9.147 -11.796 -7.773 1.00 23.32 N ATOM 0 H GLN A 9 9.229 -6.603 -6.013 1.00 70.41 H new ATOM 0 HA GLN A 9 8.971 -7.066 -8.950 1.00 45.50 H new ATOM 0 HB2 GLN A 9 8.911 -8.972 -6.695 1.00 50.21 H new ATOM 0 HB3 GLN A 9 7.520 -9.035 -7.759 1.00 50.21 H new ATOM 0 HG2 GLN A 9 9.290 -9.064 -9.699 1.00 72.34 H new ATOM 0 HG3 GLN A 9 10.434 -9.497 -8.444 1.00 72.34 H new ATOM 0 HE21 GLN A 9 9.607 -11.442 -6.934 1.00 23.32 H new ATOM 0 HE22 GLN A 9 8.867 -12.775 -7.826 1.00 23.32 H new ATOM 139 N LEU A 10 6.787 -5.715 -8.548 1.00 71.41 N ATOM 140 CA LEU A 10 5.482 -5.092 -8.321 1.00 14.35 C ATOM 141 C LEU A 10 4.317 -5.936 -8.877 1.00 25.04 C ATOM 142 O LEU A 10 3.167 -5.504 -8.771 1.00 43.34 O ATOM 143 CB LEU A 10 5.461 -3.641 -8.839 1.00 13.51 C ATOM 144 CG LEU A 10 5.090 -3.407 -10.320 1.00 24.41 C ATOM 145 CD1 LEU A 10 4.955 -1.909 -10.616 1.00 63.42 C ATOM 146 CD2 LEU A 10 6.163 -3.970 -11.246 1.00 11.45 C ATOM 0 H LEU A 10 7.220 -5.482 -9.442 1.00 71.41 H new ATOM 0 HA LEU A 10 5.327 -5.053 -7.243 1.00 14.35 H new ATOM 0 HB2 LEU A 10 4.759 -3.077 -8.225 1.00 13.51 H new ATOM 0 HB3 LEU A 10 6.448 -3.211 -8.670 1.00 13.51 H new ATOM 0 HG LEU A 10 4.141 -3.913 -10.496 1.00 24.41 H new ATOM 0 HD11 LEU A 10 4.693 -1.767 -11.665 1.00 63.42 H new ATOM 0 HD12 LEU A 10 4.174 -1.483 -9.986 1.00 63.42 H new ATOM 0 HD13 LEU A 10 5.902 -1.410 -10.408 1.00 63.42 H new ATOM 0 HD21 LEU A 10 5.878 -3.793 -12.283 1.00 11.45 H new ATOM 0 HD22 LEU A 10 7.114 -3.479 -11.042 1.00 11.45 H new ATOM 0 HD23 LEU A 10 6.265 -5.042 -11.076 1.00 11.45 H new ATOM 158 N HIS A 11 4.608 -7.082 -9.510 1.00 2.44 N ATOM 159 CA HIS A 11 3.675 -8.011 -10.149 1.00 1.42 C ATOM 160 C HIS A 11 2.634 -7.261 -10.960 1.00 5.42 C ATOM 161 O HIS A 11 1.462 -7.229 -10.603 1.00 64.34 O ATOM 162 CB HIS A 11 3.079 -9.023 -9.160 1.00 73.31 C ATOM 163 CG HIS A 11 4.093 -10.022 -8.680 1.00 41.24 C ATOM 164 ND1 HIS A 11 4.336 -11.249 -9.257 1.00 71.23 N ATOM 165 CD2 HIS A 11 4.956 -9.870 -7.627 1.00 33.34 C ATOM 166 CE1 HIS A 11 5.322 -11.830 -8.558 1.00 33.11 C ATOM 167 NE2 HIS A 11 5.742 -11.023 -7.574 1.00 50.41 N ATOM 0 H HIS A 11 5.572 -7.404 -9.593 1.00 2.44 H new ATOM 0 HA HIS A 11 4.240 -8.619 -10.856 1.00 1.42 H new ATOM 0 HB2 HIS A 11 2.665 -8.490 -8.304 1.00 73.31 H new ATOM 0 HB3 HIS A 11 2.252 -9.549 -9.637 1.00 73.31 H new ATOM 0 HD2 HIS A 11 5.017 -9.020 -6.964 1.00 33.34 H new ATOM 0 HE1 HIS A 11 5.722 -12.813 -8.760 1.00 33.11 H new ATOM 0 HE2 HIS A 11 6.494 -11.215 -6.912 1.00 50.41 H new ATOM 175 N LYS A 12 3.065 -6.645 -12.064 1.00 63.30 N ATOM 176 CA LYS A 12 2.231 -5.760 -12.876 1.00 24.15 C ATOM 177 C LYS A 12 0.898 -6.391 -13.302 1.00 33.31 C ATOM 178 O LYS A 12 -0.022 -5.634 -13.594 1.00 64.33 O ATOM 179 CB LYS A 12 3.058 -5.252 -14.076 1.00 73.43 C ATOM 180 CG LYS A 12 3.328 -3.738 -14.053 1.00 11.13 C ATOM 181 CD LYS A 12 2.223 -2.908 -14.724 1.00 12.12 C ATOM 182 CE LYS A 12 2.724 -1.519 -15.149 1.00 23.02 C ATOM 183 NZ LYS A 12 3.602 -1.558 -16.344 1.00 14.23 N ATOM 0 H LYS A 12 4.014 -6.749 -12.422 1.00 63.30 H new ATOM 0 HA LYS A 12 1.937 -4.911 -12.259 1.00 24.15 H new ATOM 0 HB2 LYS A 12 4.011 -5.780 -14.097 1.00 73.43 H new ATOM 0 HB3 LYS A 12 2.534 -5.503 -14.998 1.00 73.43 H new ATOM 0 HG2 LYS A 12 3.439 -3.412 -13.019 1.00 11.13 H new ATOM 0 HG3 LYS A 12 4.276 -3.538 -14.553 1.00 11.13 H new ATOM 0 HD2 LYS A 12 1.849 -3.441 -15.598 1.00 12.12 H new ATOM 0 HD3 LYS A 12 1.385 -2.796 -14.036 1.00 12.12 H new ATOM 0 HE2 LYS A 12 1.867 -0.878 -15.356 1.00 23.02 H new ATOM 0 HE3 LYS A 12 3.268 -1.066 -14.320 1.00 23.02 H new ATOM 0 HZ1 LYS A 12 3.811 -0.587 -16.653 1.00 14.23 H new ATOM 0 HZ2 LYS A 12 4.490 -2.045 -16.107 1.00 14.23 H new ATOM 0 HZ3 LYS A 12 3.121 -2.069 -17.112 1.00 14.23 H new ATOM 197 N ALA A 13 0.768 -7.726 -13.337 1.00 43.33 N ATOM 198 CA ALA A 13 -0.504 -8.431 -13.487 1.00 51.43 C ATOM 199 C ALA A 13 -1.371 -8.287 -12.221 1.00 10.45 C ATOM 200 O ALA A 13 -2.200 -7.382 -12.174 1.00 4.52 O ATOM 201 CB ALA A 13 -0.238 -9.894 -13.865 1.00 2.45 C ATOM 0 H ALA A 13 1.567 -8.356 -13.260 1.00 43.33 H new ATOM 0 HA ALA A 13 -1.078 -7.980 -14.296 1.00 51.43 H new ATOM 0 HB1 ALA A 13 -1.187 -10.419 -13.977 1.00 2.45 H new ATOM 0 HB2 ALA A 13 0.311 -9.933 -14.806 1.00 2.45 H new ATOM 0 HB3 ALA A 13 0.351 -10.371 -13.081 1.00 2.45 H new ATOM 207 N SER A 14 -1.194 -9.134 -11.193 1.00 31.45 N ATOM 208 CA SER A 14 -2.057 -9.180 -9.997 1.00 53.43 C ATOM 209 C SER A 14 -1.922 -7.961 -9.065 1.00 53.41 C ATOM 210 O SER A 14 -2.707 -7.824 -8.124 1.00 41.21 O ATOM 211 CB SER A 14 -1.780 -10.479 -9.223 1.00 25.44 C ATOM 212 OG SER A 14 -2.787 -10.764 -8.260 1.00 50.13 O ATOM 0 H SER A 14 -0.437 -9.817 -11.168 1.00 31.45 H new ATOM 0 HA SER A 14 -3.086 -9.153 -10.356 1.00 53.43 H new ATOM 0 HB2 SER A 14 -1.709 -11.309 -9.926 1.00 25.44 H new ATOM 0 HB3 SER A 14 -0.815 -10.401 -8.723 1.00 25.44 H new ATOM 0 HG SER A 14 -3.173 -9.925 -7.932 1.00 50.13 H new ATOM 218 N LYS A 15 -0.963 -7.074 -9.328 1.00 10.15 N ATOM 219 CA LYS A 15 -0.602 -5.874 -8.579 1.00 44.22 C ATOM 220 C LYS A 15 -0.318 -6.212 -7.118 1.00 10.11 C ATOM 221 O LYS A 15 -1.084 -5.891 -6.204 1.00 12.23 O ATOM 222 CB LYS A 15 -1.573 -4.707 -8.832 1.00 10.34 C ATOM 223 CG LYS A 15 -2.074 -4.612 -10.281 1.00 11.22 C ATOM 224 CD LYS A 15 -3.545 -5.045 -10.347 1.00 41.53 C ATOM 225 CE LYS A 15 -4.261 -4.573 -11.601 1.00 34.21 C ATOM 226 NZ LYS A 15 -3.619 -5.019 -12.854 1.00 30.15 N ATOM 0 H LYS A 15 -0.365 -7.189 -10.146 1.00 10.15 H new ATOM 0 HA LYS A 15 0.342 -5.485 -8.961 1.00 44.22 H new ATOM 0 HB2 LYS A 15 -2.431 -4.812 -8.168 1.00 10.34 H new ATOM 0 HB3 LYS A 15 -1.078 -3.773 -8.568 1.00 10.34 H new ATOM 0 HG2 LYS A 15 -1.968 -3.591 -10.647 1.00 11.22 H new ATOM 0 HG3 LYS A 15 -1.468 -5.246 -10.928 1.00 11.22 H new ATOM 0 HD2 LYS A 15 -3.598 -6.133 -10.296 1.00 41.53 H new ATOM 0 HD3 LYS A 15 -4.069 -4.659 -9.472 1.00 41.53 H new ATOM 0 HE2 LYS A 15 -5.289 -4.936 -11.580 1.00 34.21 H new ATOM 0 HE3 LYS A 15 -4.307 -3.484 -11.594 1.00 34.21 H new ATOM 0 HZ1 LYS A 15 -4.349 -5.211 -13.569 1.00 30.15 H new ATOM 0 HZ2 LYS A 15 -2.981 -4.274 -13.201 1.00 30.15 H new ATOM 0 HZ3 LYS A 15 -3.074 -5.886 -12.675 1.00 30.15 H new ATOM 240 N THR A 16 0.821 -6.864 -6.914 1.00 34.41 N ATOM 241 CA THR A 16 1.313 -7.334 -5.633 1.00 44.20 C ATOM 242 C THR A 16 2.752 -6.828 -5.537 1.00 43.12 C ATOM 243 O THR A 16 3.579 -7.170 -6.377 1.00 34.42 O ATOM 244 CB THR A 16 1.211 -8.870 -5.578 1.00 70.04 C ATOM 245 OG1 THR A 16 -0.110 -9.315 -5.857 1.00 41.33 O ATOM 246 CG2 THR A 16 1.620 -9.415 -4.213 1.00 63.44 C ATOM 0 H THR A 16 1.456 -7.088 -7.680 1.00 34.41 H new ATOM 0 HA THR A 16 0.734 -6.965 -4.786 1.00 44.20 H new ATOM 0 HB THR A 16 1.895 -9.246 -6.339 1.00 70.04 H new ATOM 0 HG1 THR A 16 -0.141 -10.294 -5.816 1.00 41.33 H new ATOM 0 HG21 THR A 16 1.534 -10.502 -4.215 1.00 63.44 H new ATOM 0 HG22 THR A 16 2.652 -9.133 -4.003 1.00 63.44 H new ATOM 0 HG23 THR A 16 0.967 -9.001 -3.445 1.00 63.44 H new ATOM 254 N LEU A 17 3.053 -5.931 -4.599 1.00 61.40 N ATOM 255 CA LEU A 17 4.429 -5.614 -4.262 1.00 11.25 C ATOM 256 C LEU A 17 5.002 -6.795 -3.494 1.00 51.12 C ATOM 257 O LEU A 17 4.533 -7.076 -2.394 1.00 65.32 O ATOM 258 CB LEU A 17 4.501 -4.364 -3.373 1.00 72.22 C ATOM 259 CG LEU A 17 5.918 -3.794 -3.177 1.00 1.15 C ATOM 260 CD1 LEU A 17 5.977 -2.832 -1.988 1.00 34.21 C ATOM 261 CD2 LEU A 17 7.123 -4.690 -3.280 1.00 23.15 C ATOM 0 H LEU A 17 2.357 -5.413 -4.062 1.00 61.40 H new ATOM 0 HA LEU A 17 4.991 -5.420 -5.175 1.00 11.25 H new ATOM 0 HB2 LEU A 17 3.869 -3.589 -3.807 1.00 72.22 H new ATOM 0 HB3 LEU A 17 4.083 -4.605 -2.396 1.00 72.22 H new ATOM 0 HG LEU A 17 6.049 -3.251 -4.113 1.00 1.15 H new ATOM 0 HD11 LEU A 17 6.992 -2.449 -1.880 1.00 34.21 H new ATOM 0 HD12 LEU A 17 5.292 -2.001 -2.158 1.00 34.21 H new ATOM 0 HD13 LEU A 17 5.689 -3.359 -1.079 1.00 34.21 H new ATOM 0 HD21 LEU A 17 8.027 -4.105 -3.112 1.00 23.15 H new ATOM 0 HD22 LEU A 17 7.056 -5.478 -2.530 1.00 23.15 H new ATOM 0 HD23 LEU A 17 7.160 -5.137 -4.273 1.00 23.15 H new ATOM 273 N THR A 18 6.069 -7.388 -4.011 1.00 70.11 N ATOM 274 CA THR A 18 6.943 -8.257 -3.267 1.00 23.21 C ATOM 275 C THR A 18 8.259 -7.586 -2.875 1.00 71.00 C ATOM 276 O THR A 18 9.007 -7.091 -3.725 1.00 22.05 O ATOM 277 CB THR A 18 7.138 -9.568 -4.044 1.00 34.45 C ATOM 278 OG1 THR A 18 5.883 -10.150 -4.304 1.00 61.13 O ATOM 279 CG2 THR A 18 8.054 -10.570 -3.336 1.00 25.12 C ATOM 0 H THR A 18 6.350 -7.269 -4.984 1.00 70.11 H new ATOM 0 HA THR A 18 6.469 -8.493 -2.314 1.00 23.21 H new ATOM 0 HB THR A 18 7.639 -9.312 -4.978 1.00 34.45 H new ATOM 0 HG1 THR A 18 6.007 -10.986 -4.801 1.00 61.13 H new ATOM 0 HG21 THR A 18 8.145 -11.471 -3.943 1.00 25.12 H new ATOM 0 HG22 THR A 18 9.039 -10.126 -3.195 1.00 25.12 H new ATOM 0 HG23 THR A 18 7.630 -10.827 -2.365 1.00 25.12 H new ATOM 287 N LEU A 19 8.498 -7.540 -1.558 1.00 45.43 N ATOM 288 CA LEU A 19 9.658 -6.948 -0.902 1.00 22.33 C ATOM 289 C LEU A 19 10.369 -8.080 -0.164 1.00 43.10 C ATOM 290 O LEU A 19 9.798 -8.659 0.763 1.00 45.51 O ATOM 291 CB LEU A 19 9.232 -5.867 0.121 1.00 2.23 C ATOM 292 CG LEU A 19 8.925 -4.438 -0.373 1.00 5.13 C ATOM 293 CD1 LEU A 19 8.725 -3.542 0.857 1.00 23.01 C ATOM 294 CD2 LEU A 19 10.044 -3.856 -1.251 1.00 12.53 C ATOM 0 H LEU A 19 7.843 -7.941 -0.886 1.00 45.43 H new ATOM 0 HA LEU A 19 10.302 -6.470 -1.641 1.00 22.33 H new ATOM 0 HB2 LEU A 19 8.343 -6.234 0.634 1.00 2.23 H new ATOM 0 HB3 LEU A 19 10.023 -5.793 0.867 1.00 2.23 H new ATOM 0 HG LEU A 19 8.029 -4.479 -0.992 1.00 5.13 H new ATOM 0 HD11 LEU A 19 8.506 -2.524 0.534 1.00 23.01 H new ATOM 0 HD12 LEU A 19 7.894 -3.921 1.452 1.00 23.01 H new ATOM 0 HD13 LEU A 19 9.633 -3.544 1.460 1.00 23.01 H new ATOM 0 HD21 LEU A 19 9.771 -2.849 -1.568 1.00 12.53 H new ATOM 0 HD22 LEU A 19 10.972 -3.818 -0.680 1.00 12.53 H new ATOM 0 HD23 LEU A 19 10.184 -4.488 -2.128 1.00 12.53 H new ATOM 306 N ARG A 20 11.609 -8.408 -0.549 1.00 44.44 N ATOM 307 CA ARG A 20 12.339 -9.515 0.072 1.00 42.34 C ATOM 308 C ARG A 20 13.001 -9.079 1.381 1.00 12.11 C ATOM 309 O ARG A 20 14.112 -8.545 1.346 1.00 44.14 O ATOM 310 CB ARG A 20 13.343 -10.086 -0.936 1.00 32.14 C ATOM 311 CG ARG A 20 13.878 -11.451 -0.486 1.00 52.52 C ATOM 312 CD ARG A 20 14.869 -11.988 -1.525 1.00 41.41 C ATOM 313 NE ARG A 20 16.119 -11.218 -1.485 1.00 42.43 N ATOM 314 CZ ARG A 20 17.167 -11.309 -2.303 1.00 30.44 C ATOM 315 NH1 ARG A 20 17.179 -12.144 -3.340 1.00 13.32 N ATOM 316 NH2 ARG A 20 18.218 -10.537 -2.068 1.00 63.12 N ATOM 0 H ARG A 20 12.124 -7.924 -1.284 1.00 44.44 H new ATOM 0 HA ARG A 20 11.641 -10.308 0.340 1.00 42.34 H new ATOM 0 HB2 ARG A 20 12.865 -10.185 -1.911 1.00 32.14 H new ATOM 0 HB3 ARG A 20 14.174 -9.391 -1.057 1.00 32.14 H new ATOM 0 HG2 ARG A 20 14.368 -11.358 0.483 1.00 52.52 H new ATOM 0 HG3 ARG A 20 13.053 -12.152 -0.361 1.00 52.52 H new ATOM 0 HD2 ARG A 20 15.076 -13.040 -1.330 1.00 41.41 H new ATOM 0 HD3 ARG A 20 14.430 -11.929 -2.521 1.00 41.41 H new ATOM 0 HE ARG A 20 16.194 -10.528 -0.738 1.00 42.43 H new ATOM 0 HH11 ARG A 20 16.370 -12.737 -3.526 1.00 13.32 H new ATOM 0 HH12 ARG A 20 17.997 -12.190 -3.948 1.00 13.32 H new ATOM 0 HH21 ARG A 20 18.211 -9.893 -1.277 1.00 63.12 H new ATOM 0 HH22 ARG A 20 19.034 -10.586 -2.678 1.00 63.12 H new ATOM 330 N TYR A 21 12.301 -9.162 2.511 1.00 11.41 N ATOM 331 CA TYR A 21 12.803 -8.808 3.837 1.00 14.14 C ATOM 332 C TYR A 21 13.941 -9.760 4.216 1.00 43.52 C ATOM 333 O TYR A 21 13.702 -10.835 4.755 1.00 13.13 O ATOM 334 CB TYR A 21 11.634 -8.827 4.834 1.00 13.34 C ATOM 335 CG TYR A 21 11.935 -8.372 6.258 1.00 33.34 C ATOM 336 CD1 TYR A 21 11.960 -7.004 6.602 1.00 71.20 C ATOM 337 CD2 TYR A 21 12.130 -9.331 7.271 1.00 13.51 C ATOM 338 CE1 TYR A 21 12.279 -6.592 7.906 1.00 74.10 C ATOM 339 CE2 TYR A 21 12.387 -8.930 8.595 1.00 23.32 C ATOM 340 CZ TYR A 21 12.481 -7.557 8.917 1.00 75.33 C ATOM 341 OH TYR A 21 12.797 -7.178 10.183 1.00 63.04 O ATOM 0 H TYR A 21 11.335 -9.489 2.529 1.00 11.41 H new ATOM 0 HA TYR A 21 13.218 -7.800 3.850 1.00 14.14 H new ATOM 0 HB2 TYR A 21 10.839 -8.196 4.437 1.00 13.34 H new ATOM 0 HB3 TYR A 21 11.242 -9.843 4.878 1.00 13.34 H new ATOM 0 HD1 TYR A 21 11.730 -6.262 5.851 1.00 71.20 H new ATOM 0 HD2 TYR A 21 12.082 -10.383 7.030 1.00 13.51 H new ATOM 0 HE1 TYR A 21 12.370 -5.540 8.135 1.00 74.10 H new ATOM 0 HE2 TYR A 21 12.513 -9.674 9.368 1.00 23.32 H new ATOM 0 HH TYR A 21 12.898 -7.973 10.747 1.00 63.04 H new ATOM 351 N GLY A 22 15.179 -9.375 3.893 1.00 52.23 N ATOM 352 CA GLY A 22 16.386 -10.122 4.205 1.00 34.21 C ATOM 353 C GLY A 22 16.460 -11.410 3.404 1.00 70.11 C ATOM 354 O GLY A 22 17.032 -11.438 2.308 1.00 51.14 O ATOM 0 H GLY A 22 15.367 -8.507 3.392 1.00 52.23 H new ATOM 0 HA2 GLY A 22 17.261 -9.508 3.992 1.00 34.21 H new ATOM 0 HA3 GLY A 22 16.409 -10.352 5.270 1.00 34.21 H new ATOM 358 N GLU A 23 15.885 -12.456 3.980 1.00 53.24 N ATOM 359 CA GLU A 23 15.860 -13.837 3.514 1.00 43.34 C ATOM 360 C GLU A 23 14.440 -14.316 3.206 1.00 71.10 C ATOM 361 O GLU A 23 14.258 -15.353 2.561 1.00 65.44 O ATOM 362 CB GLU A 23 16.560 -14.717 4.550 1.00 43.42 C ATOM 363 CG GLU A 23 15.753 -14.763 5.843 1.00 73.30 C ATOM 364 CD GLU A 23 16.582 -14.648 7.125 1.00 71.01 C ATOM 365 OE1 GLU A 23 17.506 -13.809 7.218 1.00 51.43 O ATOM 366 OE2 GLU A 23 16.276 -15.341 8.118 1.00 41.30 O ATOM 0 H GLU A 23 15.381 -12.352 4.861 1.00 53.24 H new ATOM 0 HA GLU A 23 16.398 -13.907 2.569 1.00 43.34 H new ATOM 0 HB2 GLU A 23 16.684 -15.725 4.155 1.00 43.42 H new ATOM 0 HB3 GLU A 23 17.558 -14.329 4.751 1.00 43.42 H new ATOM 0 HG2 GLU A 23 15.022 -13.955 5.827 1.00 73.30 H new ATOM 0 HG3 GLU A 23 15.194 -15.698 5.872 1.00 73.30 H new ATOM 373 N ASP A 24 13.451 -13.549 3.649 1.00 65.03 N ATOM 374 CA ASP A 24 12.026 -13.826 3.533 1.00 24.33 C ATOM 375 C ASP A 24 11.451 -13.092 2.318 1.00 30.14 C ATOM 376 O ASP A 24 11.970 -12.039 1.943 1.00 45.44 O ATOM 377 CB ASP A 24 11.300 -13.288 4.773 1.00 30.31 C ATOM 378 CG ASP A 24 11.802 -13.819 6.112 1.00 2.35 C ATOM 379 OD1 ASP A 24 11.350 -14.914 6.512 1.00 33.15 O ATOM 380 OD2 ASP A 24 12.559 -13.114 6.826 1.00 41.22 O ATOM 0 H ASP A 24 13.634 -12.666 4.126 1.00 65.03 H new ATOM 0 HA ASP A 24 11.889 -14.903 3.433 1.00 24.33 H new ATOM 0 HB2 ASP A 24 11.384 -12.201 4.779 1.00 30.31 H new ATOM 0 HB3 ASP A 24 10.240 -13.525 4.683 1.00 30.31 H new ATOM 385 N SER A 25 10.331 -13.557 1.754 1.00 25.32 N ATOM 386 CA SER A 25 9.587 -12.873 0.703 1.00 63.14 C ATOM 387 C SER A 25 8.146 -12.651 1.151 1.00 11.34 C ATOM 388 O SER A 25 7.424 -13.611 1.421 1.00 51.40 O ATOM 389 CB SER A 25 9.678 -13.625 -0.636 1.00 61.34 C ATOM 390 OG SER A 25 10.091 -14.982 -0.534 1.00 51.23 O ATOM 0 H SER A 25 9.909 -14.445 2.027 1.00 25.32 H new ATOM 0 HA SER A 25 10.038 -11.896 0.530 1.00 63.14 H new ATOM 0 HB2 SER A 25 8.702 -13.593 -1.121 1.00 61.34 H new ATOM 0 HB3 SER A 25 10.375 -13.096 -1.286 1.00 61.34 H new ATOM 0 HG SER A 25 10.120 -15.383 -1.428 1.00 51.23 H new ATOM 396 N TYR A 26 7.741 -11.383 1.266 1.00 52.41 N ATOM 397 CA TYR A 26 6.388 -10.975 1.620 1.00 52.24 C ATOM 398 C TYR A 26 5.749 -10.246 0.441 1.00 43.41 C ATOM 399 O TYR A 26 6.404 -9.420 -0.205 1.00 53.11 O ATOM 400 CB TYR A 26 6.432 -10.072 2.857 1.00 74.24 C ATOM 401 CG TYR A 26 7.282 -10.572 4.013 1.00 72.03 C ATOM 402 CD1 TYR A 26 7.321 -11.931 4.376 1.00 3.21 C ATOM 403 CD2 TYR A 26 8.071 -9.654 4.716 1.00 53.14 C ATOM 404 CE1 TYR A 26 8.099 -12.356 5.470 1.00 10.14 C ATOM 405 CE2 TYR A 26 8.833 -10.064 5.817 1.00 75.42 C ATOM 406 CZ TYR A 26 8.847 -11.415 6.209 1.00 24.25 C ATOM 407 OH TYR A 26 9.570 -11.776 7.301 1.00 73.34 O ATOM 0 H TYR A 26 8.367 -10.593 1.110 1.00 52.41 H new ATOM 0 HA TYR A 26 5.786 -11.854 1.852 1.00 52.24 H new ATOM 0 HB2 TYR A 26 6.803 -9.093 2.555 1.00 74.24 H new ATOM 0 HB3 TYR A 26 5.413 -9.930 3.216 1.00 74.24 H new ATOM 0 HD1 TYR A 26 6.750 -12.653 3.811 1.00 3.21 H new ATOM 0 HD2 TYR A 26 8.092 -8.620 4.406 1.00 53.14 H new ATOM 0 HE1 TYR A 26 8.123 -13.401 5.743 1.00 10.14 H new ATOM 0 HE2 TYR A 26 9.413 -9.339 6.368 1.00 75.42 H new ATOM 0 HH TYR A 26 10.300 -11.136 7.436 1.00 73.34 H new ATOM 417 N ASP A 27 4.465 -10.527 0.216 1.00 51.44 N ATOM 418 CA ASP A 27 3.713 -10.209 -0.996 1.00 25.22 C ATOM 419 C ASP A 27 2.527 -9.345 -0.589 1.00 44.53 C ATOM 420 O ASP A 27 1.463 -9.848 -0.225 1.00 11.34 O ATOM 421 CB ASP A 27 3.243 -11.505 -1.685 1.00 65.34 C ATOM 422 CG ASP A 27 4.260 -12.078 -2.664 1.00 54.32 C ATOM 423 OD1 ASP A 27 5.485 -11.958 -2.433 1.00 54.34 O ATOM 424 OD2 ASP A 27 3.858 -12.599 -3.730 1.00 71.03 O ATOM 0 H ASP A 27 3.893 -11.007 0.911 1.00 51.44 H new ATOM 0 HA ASP A 27 4.337 -9.670 -1.709 1.00 25.22 H new ATOM 0 HB2 ASP A 27 3.023 -12.253 -0.923 1.00 65.34 H new ATOM 0 HB3 ASP A 27 2.312 -11.307 -2.216 1.00 65.34 H new ATOM 429 N LEU A 28 2.728 -8.033 -0.544 1.00 70.01 N ATOM 430 CA LEU A 28 1.710 -7.060 -0.175 1.00 10.52 C ATOM 431 C LEU A 28 0.865 -6.666 -1.398 1.00 1.15 C ATOM 432 O LEU A 28 1.425 -6.478 -2.475 1.00 71.21 O ATOM 433 CB LEU A 28 2.428 -5.820 0.391 1.00 21.45 C ATOM 434 CG LEU A 28 3.419 -6.172 1.528 1.00 2.35 C ATOM 435 CD1 LEU A 28 4.889 -6.164 1.082 1.00 73.22 C ATOM 436 CD2 LEU A 28 3.227 -5.230 2.711 1.00 4.55 C ATOM 0 H LEU A 28 3.627 -7.607 -0.769 1.00 70.01 H new ATOM 0 HA LEU A 28 1.038 -7.489 0.569 1.00 10.52 H new ATOM 0 HB2 LEU A 28 2.967 -5.318 -0.413 1.00 21.45 H new ATOM 0 HB3 LEU A 28 1.686 -5.115 0.766 1.00 21.45 H new ATOM 0 HG LEU A 28 3.189 -7.195 1.827 1.00 2.35 H new ATOM 0 HD11 LEU A 28 5.527 -6.419 1.928 1.00 73.22 H new ATOM 0 HD12 LEU A 28 5.032 -6.895 0.286 1.00 73.22 H new ATOM 0 HD13 LEU A 28 5.152 -5.172 0.715 1.00 73.22 H new ATOM 0 HD21 LEU A 28 3.931 -5.491 3.502 1.00 4.55 H new ATOM 0 HD22 LEU A 28 3.404 -4.203 2.391 1.00 4.55 H new ATOM 0 HD23 LEU A 28 2.208 -5.322 3.088 1.00 4.55 H new ATOM 448 N PRO A 29 -0.451 -6.423 -1.273 1.00 43.14 N ATOM 449 CA PRO A 29 -1.261 -5.960 -2.401 1.00 3.55 C ATOM 450 C PRO A 29 -1.033 -4.470 -2.667 1.00 25.44 C ATOM 451 O PRO A 29 -0.717 -3.727 -1.739 1.00 25.32 O ATOM 452 CB PRO A 29 -2.706 -6.205 -1.965 1.00 5.44 C ATOM 453 CG PRO A 29 -2.664 -6.122 -0.443 1.00 11.24 C ATOM 454 CD PRO A 29 -1.281 -6.690 -0.111 1.00 13.55 C ATOM 0 HA PRO A 29 -1.007 -6.480 -3.324 1.00 3.55 H new ATOM 0 HB2 PRO A 29 -3.380 -5.458 -2.385 1.00 5.44 H new ATOM 0 HB3 PRO A 29 -3.062 -7.179 -2.300 1.00 5.44 H new ATOM 0 HG2 PRO A 29 -2.776 -5.097 -0.090 1.00 11.24 H new ATOM 0 HG3 PRO A 29 -3.462 -6.706 0.016 1.00 11.24 H new ATOM 0 HD2 PRO A 29 -0.868 -6.217 0.780 1.00 13.55 H new ATOM 0 HD3 PRO A 29 -1.336 -7.760 0.092 1.00 13.55 H new ATOM 462 N ALA A 30 -1.311 -3.987 -3.883 1.00 31.15 N ATOM 463 CA ALA A 30 -1.278 -2.557 -4.193 1.00 13.33 C ATOM 464 C ALA A 30 -2.114 -1.741 -3.196 1.00 61.44 C ATOM 465 O ALA A 30 -1.677 -0.684 -2.736 1.00 42.20 O ATOM 466 CB ALA A 30 -1.776 -2.332 -5.632 1.00 22.12 C ATOM 0 H ALA A 30 -1.564 -4.576 -4.676 1.00 31.15 H new ATOM 0 HA ALA A 30 -0.248 -2.210 -4.108 1.00 13.33 H new ATOM 0 HB1 ALA A 30 -1.752 -1.267 -5.863 1.00 22.12 H new ATOM 0 HB2 ALA A 30 -1.132 -2.869 -6.328 1.00 22.12 H new ATOM 0 HB3 ALA A 30 -2.798 -2.700 -5.725 1.00 22.12 H new ATOM 472 N GLU A 31 -3.299 -2.241 -2.835 1.00 65.04 N ATOM 473 CA GLU A 31 -4.207 -1.537 -1.942 1.00 44.43 C ATOM 474 C GLU A 31 -3.685 -1.431 -0.499 1.00 54.40 C ATOM 475 O GLU A 31 -4.132 -0.544 0.233 1.00 73.34 O ATOM 476 CB GLU A 31 -5.601 -2.171 -2.000 1.00 13.11 C ATOM 477 CG GLU A 31 -5.735 -3.555 -1.345 1.00 43.50 C ATOM 478 CD GLU A 31 -7.191 -3.971 -1.077 1.00 43.22 C ATOM 479 OE1 GLU A 31 -7.988 -3.121 -0.618 1.00 33.15 O ATOM 480 OE2 GLU A 31 -7.505 -5.174 -1.192 1.00 21.01 O ATOM 0 H GLU A 31 -3.650 -3.143 -3.156 1.00 65.04 H new ATOM 0 HA GLU A 31 -4.274 -0.509 -2.298 1.00 44.43 H new ATOM 0 HB2 GLU A 31 -6.308 -1.493 -1.521 1.00 13.11 H new ATOM 0 HB3 GLU A 31 -5.898 -2.255 -3.045 1.00 13.11 H new ATOM 0 HG2 GLU A 31 -5.266 -4.299 -1.989 1.00 43.50 H new ATOM 0 HG3 GLU A 31 -5.186 -3.557 -0.403 1.00 43.50 H new ATOM 487 N PHE A 32 -2.750 -2.299 -0.076 1.00 41.53 N ATOM 488 CA PHE A 32 -2.132 -2.209 1.246 1.00 24.41 C ATOM 489 C PHE A 32 -1.332 -0.920 1.334 1.00 71.42 C ATOM 490 O PHE A 32 -1.555 -0.100 2.225 1.00 11.22 O ATOM 491 CB PHE A 32 -1.215 -3.423 1.532 1.00 33.05 C ATOM 492 CG PHE A 32 -0.238 -3.216 2.675 1.00 13.55 C ATOM 493 CD1 PHE A 32 1.051 -2.654 2.457 1.00 32.24 C ATOM 494 CD2 PHE A 32 -0.659 -3.553 3.978 1.00 40.22 C ATOM 495 CE1 PHE A 32 1.893 -2.447 3.568 1.00 23.03 C ATOM 496 CE2 PHE A 32 0.188 -3.332 5.074 1.00 41.54 C ATOM 497 CZ PHE A 32 1.468 -2.785 4.867 1.00 31.35 C ATOM 0 H PHE A 32 -2.407 -3.076 -0.641 1.00 41.53 H new ATOM 0 HA PHE A 32 -2.922 -2.212 1.997 1.00 24.41 H new ATOM 0 HB2 PHE A 32 -1.838 -4.289 1.755 1.00 33.05 H new ATOM 0 HB3 PHE A 32 -0.653 -3.659 0.628 1.00 33.05 H new ATOM 0 HD1 PHE A 32 1.377 -2.392 1.461 1.00 32.24 H new ATOM 0 HD2 PHE A 32 -1.638 -3.983 4.133 1.00 40.22 H new ATOM 0 HE1 PHE A 32 2.876 -2.024 3.421 1.00 23.03 H new ATOM 0 HE2 PHE A 32 -0.141 -3.581 6.072 1.00 41.54 H new ATOM 0 HZ PHE A 32 2.127 -2.624 5.708 1.00 31.35 H new ATOM 507 N LEU A 33 -0.369 -0.759 0.424 1.00 23.24 N ATOM 508 CA LEU A 33 0.580 0.327 0.536 1.00 42.42 C ATOM 509 C LEU A 33 -0.151 1.659 0.424 1.00 22.23 C ATOM 510 O LEU A 33 0.179 2.567 1.174 1.00 33.02 O ATOM 511 CB LEU A 33 1.662 0.191 -0.527 1.00 11.52 C ATOM 512 CG LEU A 33 2.591 -1.021 -0.439 1.00 5.25 C ATOM 513 CD1 LEU A 33 3.431 -1.236 0.818 1.00 42.10 C ATOM 514 CD2 LEU A 33 2.131 -2.246 -1.205 1.00 44.31 C ATOM 0 H LEU A 33 -0.234 -1.364 -0.386 1.00 23.24 H new ATOM 0 HA LEU A 33 1.068 0.288 1.510 1.00 42.42 H new ATOM 0 HB2 LEU A 33 1.175 0.171 -1.502 1.00 11.52 H new ATOM 0 HB3 LEU A 33 2.278 1.090 -0.497 1.00 11.52 H new ATOM 0 HG LEU A 33 3.425 -0.660 -1.041 1.00 5.25 H new ATOM 0 HD11 LEU A 33 4.028 -2.141 0.706 1.00 42.10 H new ATOM 0 HD12 LEU A 33 4.091 -0.381 0.965 1.00 42.10 H new ATOM 0 HD13 LEU A 33 2.774 -1.339 1.681 1.00 42.10 H new ATOM 0 HD21 LEU A 33 2.858 -3.048 -1.078 1.00 44.31 H new ATOM 0 HD22 LEU A 33 1.162 -2.570 -0.825 1.00 44.31 H new ATOM 0 HD23 LEU A 33 2.042 -2.001 -2.263 1.00 44.31 H new ATOM 526 N ARG A 34 -1.183 1.753 -0.429 1.00 23.12 N ATOM 527 CA ARG A 34 -2.025 2.945 -0.567 1.00 3.35 C ATOM 528 C ARG A 34 -2.523 3.431 0.794 1.00 22.02 C ATOM 529 O ARG A 34 -2.310 4.594 1.129 1.00 12.33 O ATOM 530 CB ARG A 34 -3.178 2.674 -1.558 1.00 11.55 C ATOM 531 CG ARG A 34 -4.255 3.776 -1.652 1.00 4.12 C ATOM 532 CD ARG A 34 -3.698 5.163 -2.027 1.00 13.55 C ATOM 533 NE ARG A 34 -4.782 6.104 -2.369 1.00 2.31 N ATOM 534 CZ ARG A 34 -5.076 7.293 -1.829 1.00 51.30 C ATOM 535 NH1 ARG A 34 -4.277 7.888 -0.948 1.00 11.12 N ATOM 536 NH2 ARG A 34 -6.206 7.891 -2.180 1.00 52.43 N ATOM 0 H ARG A 34 -1.457 0.991 -1.049 1.00 23.12 H new ATOM 0 HA ARG A 34 -1.424 3.755 -0.981 1.00 3.35 H new ATOM 0 HB2 ARG A 34 -2.752 2.523 -2.550 1.00 11.55 H new ATOM 0 HB3 ARG A 34 -3.664 1.740 -1.274 1.00 11.55 H new ATOM 0 HG2 ARG A 34 -4.998 3.481 -2.393 1.00 4.12 H new ATOM 0 HG3 ARG A 34 -4.771 3.849 -0.694 1.00 4.12 H new ATOM 0 HD2 ARG A 34 -3.118 5.561 -1.194 1.00 13.55 H new ATOM 0 HD3 ARG A 34 -3.017 5.067 -2.873 1.00 13.55 H new ATOM 0 HE ARG A 34 -5.396 5.805 -3.127 1.00 2.31 H new ATOM 0 HH11 ARG A 34 -3.407 7.438 -0.663 1.00 11.12 H new ATOM 0 HH12 ARG A 34 -4.534 8.795 -0.557 1.00 11.12 H new ATOM 0 HH21 ARG A 34 -6.833 7.445 -2.850 1.00 52.43 H new ATOM 0 HH22 ARG A 34 -6.449 8.797 -1.780 1.00 52.43 H new ATOM 550 N VAL A 35 -3.210 2.591 1.574 1.00 5.54 N ATOM 551 CA VAL A 35 -3.742 3.049 2.861 1.00 61.34 C ATOM 552 C VAL A 35 -2.597 3.422 3.804 1.00 51.30 C ATOM 553 O VAL A 35 -2.650 4.480 4.439 1.00 23.14 O ATOM 554 CB VAL A 35 -4.759 2.059 3.449 1.00 13.42 C ATOM 555 CG1 VAL A 35 -5.969 1.985 2.511 1.00 72.40 C ATOM 556 CG2 VAL A 35 -4.263 0.627 3.697 1.00 54.31 C ATOM 0 H VAL A 35 -3.407 1.617 1.346 1.00 5.54 H new ATOM 0 HA VAL A 35 -4.317 3.962 2.706 1.00 61.34 H new ATOM 0 HB VAL A 35 -4.991 2.458 4.437 1.00 13.42 H new ATOM 0 HG11 VAL A 35 -6.701 1.285 2.915 1.00 72.40 H new ATOM 0 HG12 VAL A 35 -6.422 2.973 2.422 1.00 72.40 H new ATOM 0 HG13 VAL A 35 -5.646 1.644 1.527 1.00 72.40 H new ATOM 0 HG21 VAL A 35 -5.073 0.028 4.113 1.00 54.31 H new ATOM 0 HG22 VAL A 35 -3.933 0.188 2.755 1.00 54.31 H new ATOM 0 HG23 VAL A 35 -3.430 0.647 4.399 1.00 54.31 H new ATOM 566 N HIS A 36 -1.522 2.630 3.829 1.00 52.11 N ATOM 567 CA HIS A 36 -0.368 2.897 4.675 1.00 63.21 C ATOM 568 C HIS A 36 0.640 3.859 4.006 1.00 74.01 C ATOM 569 O HIS A 36 1.842 3.725 4.237 1.00 63.11 O ATOM 570 CB HIS A 36 0.261 1.570 5.158 1.00 55.11 C ATOM 571 CG HIS A 36 0.786 1.705 6.568 1.00 75.43 C ATOM 572 ND1 HIS A 36 1.636 2.690 7.011 1.00 54.23 N ATOM 573 CD2 HIS A 36 0.387 0.985 7.665 1.00 12.13 C ATOM 574 CE1 HIS A 36 1.722 2.591 8.345 1.00 62.43 C ATOM 575 NE2 HIS A 36 0.992 1.555 8.791 1.00 31.43 N ATOM 0 H HIS A 36 -1.432 1.787 3.262 1.00 52.11 H new ATOM 0 HA HIS A 36 -0.706 3.429 5.565 1.00 63.21 H new ATOM 0 HB2 HIS A 36 -0.483 0.774 5.117 1.00 55.11 H new ATOM 0 HB3 HIS A 36 1.072 1.283 4.489 1.00 55.11 H new ATOM 0 HD1 HIS A 36 2.116 3.375 6.428 1.00 54.23 H new ATOM 0 HD2 HIS A 36 -0.275 0.132 7.661 1.00 12.13 H new ATOM 0 HE1 HIS A 36 2.299 3.253 8.974 1.00 62.43 H new ATOM 583 N SER A 37 0.179 4.816 3.181 1.00 24.35 N ATOM 584 CA SER A 37 1.016 5.765 2.443 1.00 32.35 C ATOM 585 C SER A 37 1.002 7.163 3.079 1.00 22.45 C ATOM 586 O SER A 37 0.224 8.027 2.666 1.00 12.24 O ATOM 587 CB SER A 37 0.665 5.777 0.945 1.00 70.21 C ATOM 588 OG SER A 37 1.512 6.643 0.204 1.00 1.35 O ATOM 0 H SER A 37 -0.817 4.950 3.008 1.00 24.35 H new ATOM 0 HA SER A 37 2.048 5.420 2.514 1.00 32.35 H new ATOM 0 HB2 SER A 37 0.744 4.765 0.547 1.00 70.21 H new ATOM 0 HB3 SER A 37 -0.372 6.089 0.819 1.00 70.21 H new ATOM 0 HG SER A 37 2.446 6.374 0.330 1.00 1.35 H new ATOM 594 N PRO A 38 1.862 7.434 4.076 1.00 34.12 N ATOM 595 CA PRO A 38 2.138 8.793 4.500 1.00 13.22 C ATOM 596 C PRO A 38 2.836 9.536 3.361 1.00 55.42 C ATOM 597 O PRO A 38 4.001 9.291 3.043 1.00 71.23 O ATOM 598 CB PRO A 38 3.021 8.661 5.738 1.00 12.55 C ATOM 599 CG PRO A 38 3.782 7.377 5.491 1.00 52.34 C ATOM 600 CD PRO A 38 2.778 6.514 4.736 1.00 52.41 C ATOM 0 HA PRO A 38 1.241 9.364 4.740 1.00 13.22 H new ATOM 0 HB2 PRO A 38 3.693 9.512 5.845 1.00 12.55 H new ATOM 0 HB3 PRO A 38 2.428 8.607 6.651 1.00 12.55 H new ATOM 0 HG2 PRO A 38 4.684 7.551 4.905 1.00 52.34 H new ATOM 0 HG3 PRO A 38 4.094 6.908 6.424 1.00 52.34 H new ATOM 0 HD2 PRO A 38 3.282 5.878 4.008 1.00 52.41 H new ATOM 0 HD3 PRO A 38 2.242 5.854 5.418 1.00 52.41 H new ATOM 608 N SER A 39 2.135 10.477 2.737 1.00 62.00 N ATOM 609 CA SER A 39 2.802 11.546 2.029 1.00 63.32 C ATOM 610 C SER A 39 3.623 12.301 3.081 1.00 51.41 C ATOM 611 O SER A 39 3.057 12.802 4.048 1.00 61.01 O ATOM 612 CB SER A 39 1.769 12.434 1.313 1.00 22.12 C ATOM 613 OG SER A 39 0.421 12.215 1.728 1.00 4.23 O ATOM 0 H SER A 39 1.116 10.515 2.711 1.00 62.00 H new ATOM 0 HA SER A 39 3.463 11.181 1.243 1.00 63.32 H new ATOM 0 HB2 SER A 39 2.025 13.480 1.484 1.00 22.12 H new ATOM 0 HB3 SER A 39 1.839 12.260 0.239 1.00 22.12 H new ATOM 0 HG SER A 39 -0.175 12.814 1.232 1.00 4.23 H new ATOM 619 N ALA A 40 4.948 12.369 2.940 1.00 21.05 N ATOM 620 CA ALA A 40 5.764 13.180 3.842 1.00 42.53 C ATOM 621 C ALA A 40 5.625 14.682 3.549 1.00 74.40 C ATOM 622 O ALA A 40 6.130 15.506 4.304 1.00 15.25 O ATOM 623 CB ALA A 40 7.221 12.750 3.726 1.00 44.11 C ATOM 0 H ALA A 40 5.474 11.877 2.217 1.00 21.05 H new ATOM 0 HA ALA A 40 5.410 13.018 4.860 1.00 42.53 H new ATOM 0 HB1 ALA A 40 7.833 13.353 4.397 1.00 44.11 H new ATOM 0 HB2 ALA A 40 7.313 11.698 3.997 1.00 44.11 H new ATOM 0 HB3 ALA A 40 7.561 12.891 2.700 1.00 44.11 H new ATOM 629 N GLU A 41 4.953 15.043 2.459 1.00 40.42 N ATOM 630 CA GLU A 41 4.869 16.384 1.898 1.00 61.14 C ATOM 631 C GLU A 41 3.508 17.014 2.251 1.00 55.20 C ATOM 632 O GLU A 41 2.896 17.734 1.457 1.00 54.53 O ATOM 633 CB GLU A 41 5.105 16.289 0.383 1.00 12.42 C ATOM 634 CG GLU A 41 6.322 15.426 -0.008 1.00 55.24 C ATOM 635 CD GLU A 41 6.553 15.483 -1.515 1.00 70.34 C ATOM 636 OE1 GLU A 41 5.656 15.061 -2.278 1.00 62.02 O ATOM 637 OE2 GLU A 41 7.558 16.086 -1.951 1.00 12.44 O ATOM 0 H GLU A 41 4.422 14.365 1.913 1.00 40.42 H new ATOM 0 HA GLU A 41 5.633 17.036 2.321 1.00 61.14 H new ATOM 0 HB2 GLU A 41 4.213 15.876 -0.088 1.00 12.42 H new ATOM 0 HB3 GLU A 41 5.241 17.294 -0.017 1.00 12.42 H new ATOM 0 HG2 GLU A 41 7.210 15.780 0.516 1.00 55.24 H new ATOM 0 HG3 GLU A 41 6.159 14.394 0.302 1.00 55.24 H new ATOM 644 N VAL A 42 2.978 16.646 3.422 1.00 64.01 N ATOM 645 CA VAL A 42 1.672 17.044 3.927 1.00 41.51 C ATOM 646 C VAL A 42 1.703 18.523 4.304 1.00 54.42 C ATOM 647 O VAL A 42 1.275 19.351 3.497 1.00 15.11 O ATOM 648 CB VAL A 42 1.223 16.031 5.009 1.00 35.45 C ATOM 649 CG1 VAL A 42 0.062 16.454 5.923 1.00 33.15 C ATOM 650 CG2 VAL A 42 0.760 14.762 4.276 1.00 42.42 C ATOM 0 H VAL A 42 3.476 16.034 4.069 1.00 64.01 H new ATOM 0 HA VAL A 42 0.884 16.992 3.175 1.00 41.51 H new ATOM 0 HB VAL A 42 2.087 15.914 5.663 1.00 35.45 H new ATOM 0 HG11 VAL A 42 -0.151 15.655 6.633 1.00 33.15 H new ATOM 0 HG12 VAL A 42 0.337 17.359 6.466 1.00 33.15 H new ATOM 0 HG13 VAL A 42 -0.824 16.649 5.319 1.00 33.15 H new ATOM 0 HG21 VAL A 42 0.434 14.020 5.004 1.00 42.42 H new ATOM 0 HG22 VAL A 42 -0.069 15.007 3.612 1.00 42.42 H new ATOM 0 HG23 VAL A 42 1.586 14.358 3.691 1.00 42.42 H new ATOM 660 N GLN A 43 2.155 18.848 5.516 1.00 62.03 N ATOM 661 CA GLN A 43 2.232 20.187 6.107 1.00 22.05 C ATOM 662 C GLN A 43 2.681 20.057 7.573 1.00 2.14 C ATOM 663 O GLN A 43 2.152 20.744 8.451 1.00 3.52 O ATOM 664 CB GLN A 43 0.899 20.965 5.978 1.00 22.04 C ATOM 665 CG GLN A 43 -0.322 20.139 6.414 1.00 61.12 C ATOM 666 CD GLN A 43 -1.490 20.990 6.896 1.00 14.21 C ATOM 667 OE1 GLN A 43 -1.824 22.026 6.326 1.00 11.44 O ATOM 668 NE2 GLN A 43 -2.168 20.567 7.949 1.00 32.11 N ATOM 0 H GLN A 43 2.501 18.133 6.156 1.00 62.03 H new ATOM 0 HA GLN A 43 2.967 20.773 5.556 1.00 22.05 H new ATOM 0 HB2 GLN A 43 0.953 21.870 6.582 1.00 22.04 H new ATOM 0 HB3 GLN A 43 0.767 21.280 4.943 1.00 22.04 H new ATOM 0 HG2 GLN A 43 -0.652 19.524 5.577 1.00 61.12 H new ATOM 0 HG3 GLN A 43 -0.025 19.459 7.212 1.00 61.12 H new ATOM 0 HE21 GLN A 43 -1.891 19.707 8.422 1.00 32.11 H new ATOM 0 HE22 GLN A 43 -2.968 21.101 8.288 1.00 32.11 H new ATOM 677 N GLY A 44 3.547 19.083 7.869 1.00 12.31 N ATOM 678 CA GLY A 44 3.753 18.571 9.214 1.00 21.02 C ATOM 679 C GLY A 44 2.788 17.419 9.413 1.00 24.25 C ATOM 680 O GLY A 44 3.166 16.264 9.211 1.00 32.31 O ATOM 0 H GLY A 44 4.129 18.626 7.167 1.00 12.31 H new ATOM 0 HA2 GLY A 44 4.782 18.236 9.344 1.00 21.02 H new ATOM 0 HA3 GLY A 44 3.576 19.352 9.953 1.00 21.02 H new ATOM 684 N HIS A 45 1.534 17.714 9.759 1.00 73.31 N ATOM 685 CA HIS A 45 0.560 16.677 10.068 1.00 64.32 C ATOM 686 C HIS A 45 -0.853 17.064 9.628 1.00 3.31 C ATOM 687 O HIS A 45 -1.076 18.155 9.094 1.00 44.14 O ATOM 688 CB HIS A 45 0.664 16.326 11.564 1.00 54.04 C ATOM 689 CG HIS A 45 0.639 14.840 11.793 1.00 53.12 C ATOM 690 ND1 HIS A 45 -0.270 14.164 12.567 1.00 23.51 N ATOM 691 CD2 HIS A 45 1.519 13.925 11.274 1.00 72.13 C ATOM 692 CE1 HIS A 45 0.043 12.864 12.518 1.00 4.01 C ATOM 693 NE2 HIS A 45 1.112 12.658 11.726 1.00 62.32 N ATOM 0 H HIS A 45 1.173 18.665 9.831 1.00 73.31 H new ATOM 0 HA HIS A 45 0.788 15.779 9.494 1.00 64.32 H new ATOM 0 HB2 HIS A 45 1.586 16.741 11.971 1.00 54.04 H new ATOM 0 HB3 HIS A 45 -0.161 16.791 12.104 1.00 54.04 H new ATOM 0 HD2 HIS A 45 2.365 14.138 10.638 1.00 72.13 H new ATOM 0 HE1 HIS A 45 -0.490 12.085 13.043 1.00 4.01 H new ATOM 0 HE2 HIS A 45 1.541 11.761 11.499 1.00 62.32 H new ATOM 701 N GLY A 46 -1.802 16.148 9.821 1.00 75.04 N ATOM 702 CA GLY A 46 -3.187 16.286 9.404 1.00 64.02 C ATOM 703 C GLY A 46 -4.106 15.488 10.327 1.00 44.41 C ATOM 704 O GLY A 46 -3.649 14.789 11.237 1.00 11.41 O ATOM 0 H GLY A 46 -1.616 15.261 10.289 1.00 75.04 H new ATOM 0 HA2 GLY A 46 -3.474 17.338 9.416 1.00 64.02 H new ATOM 0 HA3 GLY A 46 -3.300 15.937 8.378 1.00 64.02 H new ATOM 708 N ASN A 47 -5.417 15.628 10.118 1.00 44.03 N ATOM 709 CA ASN A 47 -6.438 14.958 10.928 1.00 60.33 C ATOM 710 C ASN A 47 -6.585 13.485 10.526 1.00 31.41 C ATOM 711 O ASN A 47 -6.431 13.168 9.348 1.00 41.41 O ATOM 712 CB ASN A 47 -7.797 15.670 10.804 1.00 35.21 C ATOM 713 CG ASN A 47 -8.338 15.812 9.385 1.00 42.22 C ATOM 714 OD1 ASN A 47 -8.712 14.745 8.698 1.00 2.41 O flip ATOM 715 ND2 ASN A 47 -8.430 16.925 8.873 1.00 33.45 N flip ATOM 0 H ASN A 47 -5.803 16.213 9.377 1.00 44.03 H new ATOM 0 HA ASN A 47 -6.111 15.005 11.967 1.00 60.33 H new ATOM 0 HB2 ASN A 47 -8.529 15.125 11.400 1.00 35.21 H new ATOM 0 HB3 ASN A 47 -7.707 16.665 11.241 1.00 35.21 H new ATOM 0 HD21 ASN A 47 -8.144 17.752 9.396 1.00 33.45 H new ATOM 0 HD22 ASN A 47 -8.793 17.022 7.925 1.00 33.45 H new ATOM 722 N PRO A 48 -6.995 12.592 11.438 1.00 41.20 N ATOM 723 CA PRO A 48 -7.184 11.179 11.137 1.00 40.42 C ATOM 724 C PRO A 48 -8.430 10.952 10.277 1.00 44.00 C ATOM 725 O PRO A 48 -9.561 11.188 10.714 1.00 51.03 O ATOM 726 CB PRO A 48 -7.275 10.483 12.489 1.00 54.22 C ATOM 727 CG PRO A 48 -7.814 11.576 13.423 1.00 23.23 C ATOM 728 CD PRO A 48 -7.200 12.850 12.854 1.00 61.32 C ATOM 0 HA PRO A 48 -6.361 10.775 10.548 1.00 40.42 H new ATOM 0 HB2 PRO A 48 -7.942 9.622 12.452 1.00 54.22 H new ATOM 0 HB3 PRO A 48 -6.302 10.118 12.818 1.00 54.22 H new ATOM 0 HG2 PRO A 48 -8.903 11.614 13.413 1.00 23.23 H new ATOM 0 HG3 PRO A 48 -7.511 11.409 14.456 1.00 23.23 H new ATOM 0 HD2 PRO A 48 -7.861 13.704 13.004 1.00 61.32 H new ATOM 0 HD3 PRO A 48 -6.258 13.085 13.349 1.00 61.32 H new ATOM 736 N VAL A 49 -8.205 10.491 9.052 1.00 53.13 N ATOM 737 CA VAL A 49 -9.184 10.137 8.056 1.00 60.31 C ATOM 738 C VAL A 49 -8.834 8.812 7.388 1.00 63.03 C ATOM 739 O VAL A 49 -7.768 8.635 6.785 1.00 40.44 O ATOM 740 CB VAL A 49 -9.312 11.308 7.096 1.00 75.23 C ATOM 741 CG1 VAL A 49 -8.010 11.820 6.461 1.00 21.05 C ATOM 742 CG2 VAL A 49 -10.422 11.089 6.073 1.00 61.24 C ATOM 0 H VAL A 49 -7.254 10.347 8.712 1.00 53.13 H new ATOM 0 HA VAL A 49 -10.162 9.962 8.505 1.00 60.31 H new ATOM 0 HB VAL A 49 -9.603 12.137 7.741 1.00 75.23 H new ATOM 0 HG11 VAL A 49 -8.233 12.655 5.797 1.00 21.05 H new ATOM 0 HG12 VAL A 49 -7.329 12.151 7.245 1.00 21.05 H new ATOM 0 HG13 VAL A 49 -7.543 11.017 5.890 1.00 21.05 H new ATOM 0 HG21 VAL A 49 -10.478 11.950 5.407 1.00 61.24 H new ATOM 0 HG22 VAL A 49 -10.208 10.193 5.490 1.00 61.24 H new ATOM 0 HG23 VAL A 49 -11.374 10.967 6.590 1.00 61.24 H new ATOM 752 N LEU A 50 -9.762 7.873 7.487 1.00 61.34 N ATOM 753 CA LEU A 50 -9.637 6.559 6.869 1.00 53.53 C ATOM 754 C LEU A 50 -9.791 6.681 5.370 1.00 54.13 C ATOM 755 O LEU A 50 -10.624 7.443 4.878 1.00 4.33 O ATOM 756 CB LEU A 50 -10.726 5.637 7.427 1.00 60.43 C ATOM 757 CG LEU A 50 -10.798 4.234 6.795 1.00 12.45 C ATOM 758 CD1 LEU A 50 -9.536 3.419 7.105 1.00 14.25 C ATOM 759 CD2 LEU A 50 -12.060 3.547 7.317 1.00 24.42 C ATOM 0 H LEU A 50 -10.632 8.001 8.003 1.00 61.34 H new ATOM 0 HA LEU A 50 -8.654 6.143 7.091 1.00 53.53 H new ATOM 0 HB2 LEU A 50 -10.568 5.525 8.500 1.00 60.43 H new ATOM 0 HB3 LEU A 50 -11.692 6.125 7.296 1.00 60.43 H new ATOM 0 HG LEU A 50 -10.848 4.314 5.709 1.00 12.45 H new ATOM 0 HD11 LEU A 50 -9.617 2.434 6.645 1.00 14.25 H new ATOM 0 HD12 LEU A 50 -8.663 3.935 6.706 1.00 14.25 H new ATOM 0 HD13 LEU A 50 -9.430 3.308 8.184 1.00 14.25 H new ATOM 0 HD21 LEU A 50 -12.136 2.549 6.885 1.00 24.42 H new ATOM 0 HD22 LEU A 50 -12.009 3.469 8.403 1.00 24.42 H new ATOM 0 HD23 LEU A 50 -12.936 4.132 7.036 1.00 24.42 H new ATOM 771 N GLN A 51 -9.005 5.885 4.654 1.00 0.22 N ATOM 772 CA GLN A 51 -8.994 5.847 3.213 1.00 40.22 C ATOM 773 C GLN A 51 -9.616 4.528 2.788 1.00 24.03 C ATOM 774 O GLN A 51 -9.129 3.445 3.133 1.00 60.11 O ATOM 775 CB GLN A 51 -7.564 6.054 2.711 1.00 0.43 C ATOM 776 CG GLN A 51 -6.953 7.332 3.310 1.00 15.32 C ATOM 777 CD GLN A 51 -7.728 8.601 2.948 1.00 73.40 C ATOM 778 OE1 GLN A 51 -8.007 8.877 1.776 1.00 2.15 O ATOM 779 NE2 GLN A 51 -8.091 9.379 3.961 1.00 13.22 N ATOM 0 H GLN A 51 -8.344 5.235 5.079 1.00 0.22 H new ATOM 0 HA GLN A 51 -9.582 6.650 2.768 1.00 40.22 H new ATOM 0 HB2 GLN A 51 -6.952 5.193 2.979 1.00 0.43 H new ATOM 0 HB3 GLN A 51 -7.562 6.120 1.623 1.00 0.43 H new ATOM 0 HG2 GLN A 51 -6.916 7.235 4.395 1.00 15.32 H new ATOM 0 HG3 GLN A 51 -5.924 7.432 2.963 1.00 15.32 H new ATOM 0 HE21 GLN A 51 -7.844 9.121 4.916 1.00 13.22 H new ATOM 0 HE22 GLN A 51 -8.617 10.235 3.784 1.00 13.22 H new ATOM 788 N TYR A 52 -10.741 4.621 2.092 1.00 20.42 N ATOM 789 CA TYR A 52 -11.468 3.488 1.549 1.00 70.40 C ATOM 790 C TYR A 52 -11.450 3.578 0.027 1.00 61.03 C ATOM 791 O TYR A 52 -10.708 4.390 -0.517 1.00 65.40 O ATOM 792 CB TYR A 52 -12.859 3.392 2.165 1.00 33.34 C ATOM 793 CG TYR A 52 -13.773 4.547 1.821 1.00 12.45 C ATOM 794 CD1 TYR A 52 -13.729 5.717 2.604 1.00 11.45 C ATOM 795 CD2 TYR A 52 -14.621 4.480 0.698 1.00 53.53 C ATOM 796 CE1 TYR A 52 -14.502 6.826 2.226 1.00 40.43 C ATOM 797 CE2 TYR A 52 -15.411 5.583 0.334 1.00 43.24 C ATOM 798 CZ TYR A 52 -15.333 6.771 1.087 1.00 41.50 C ATOM 799 OH TYR A 52 -16.098 7.846 0.757 1.00 25.42 O ATOM 0 H TYR A 52 -11.184 5.516 1.885 1.00 20.42 H new ATOM 0 HA TYR A 52 -10.984 2.548 1.815 1.00 70.40 H new ATOM 0 HB2 TYR A 52 -13.326 2.464 1.836 1.00 33.34 H new ATOM 0 HB3 TYR A 52 -12.760 3.332 3.249 1.00 33.34 H new ATOM 0 HD1 TYR A 52 -13.107 5.760 3.486 1.00 11.45 H new ATOM 0 HD2 TYR A 52 -14.664 3.574 0.112 1.00 53.53 H new ATOM 0 HE1 TYR A 52 -14.460 7.731 2.813 1.00 40.43 H new ATOM 0 HE2 TYR A 52 -16.073 5.521 -0.517 1.00 43.24 H new ATOM 0 HH TYR A 52 -16.611 7.646 -0.054 1.00 25.42 H new ATOM 809 N GLY A 53 -12.173 2.673 -0.639 1.00 25.44 N ATOM 810 CA GLY A 53 -12.161 2.547 -2.096 1.00 2.44 C ATOM 811 C GLY A 53 -10.744 2.292 -2.616 1.00 50.54 C ATOM 812 O GLY A 53 -10.005 3.221 -2.930 1.00 70.10 O ATOM 0 H GLY A 53 -12.787 2.003 -0.177 1.00 25.44 H new ATOM 0 HA2 GLY A 53 -12.815 1.729 -2.399 1.00 2.44 H new ATOM 0 HA3 GLY A 53 -12.559 3.457 -2.546 1.00 2.44 H new ATOM 816 N LYS A 54 -10.306 1.035 -2.620 1.00 34.03 N ATOM 817 CA LYS A 54 -8.966 0.661 -3.060 1.00 50.52 C ATOM 818 C LYS A 54 -8.904 -0.712 -3.734 1.00 30.03 C ATOM 819 O LYS A 54 -7.822 -1.123 -4.155 1.00 34.15 O ATOM 820 CB LYS A 54 -7.887 0.886 -1.985 1.00 65.40 C ATOM 821 CG LYS A 54 -8.099 0.210 -0.635 1.00 21.35 C ATOM 822 CD LYS A 54 -9.251 0.817 0.153 1.00 71.31 C ATOM 823 CE LYS A 54 -9.029 0.803 1.669 1.00 70.34 C ATOM 824 NZ LYS A 54 -8.448 -0.461 2.179 1.00 63.21 N ATOM 0 H LYS A 54 -10.874 0.244 -2.316 1.00 34.03 H new ATOM 0 HA LYS A 54 -8.715 1.363 -3.855 1.00 50.52 H new ATOM 0 HB2 LYS A 54 -6.933 0.546 -2.387 1.00 65.40 H new ATOM 0 HB3 LYS A 54 -7.797 1.959 -1.815 1.00 65.40 H new ATOM 0 HG2 LYS A 54 -8.291 -0.852 -0.791 1.00 21.35 H new ATOM 0 HG3 LYS A 54 -7.184 0.285 -0.048 1.00 21.35 H new ATOM 0 HD2 LYS A 54 -9.403 1.846 -0.175 1.00 71.31 H new ATOM 0 HD3 LYS A 54 -10.166 0.271 -0.077 1.00 71.31 H new ATOM 0 HE2 LYS A 54 -8.370 1.629 1.937 1.00 70.34 H new ATOM 0 HE3 LYS A 54 -9.982 0.981 2.168 1.00 70.34 H new ATOM 0 HZ1 LYS A 54 -8.620 -0.534 3.202 1.00 63.21 H new ATOM 0 HZ2 LYS A 54 -8.892 -1.267 1.695 1.00 63.21 H new ATOM 0 HZ3 LYS A 54 -7.424 -0.470 1.998 1.00 63.21 H new ATOM 838 N LEU A 55 -10.023 -1.424 -3.914 1.00 64.30 N ATOM 839 CA LEU A 55 -10.034 -2.681 -4.651 1.00 63.13 C ATOM 840 C LEU A 55 -9.572 -2.504 -6.095 1.00 70.02 C ATOM 841 O LEU A 55 -9.112 -3.476 -6.681 1.00 61.14 O ATOM 842 CB LEU A 55 -11.437 -3.314 -4.624 1.00 54.43 C ATOM 843 CG LEU A 55 -11.810 -4.064 -3.331 1.00 72.05 C ATOM 844 CD1 LEU A 55 -12.983 -5.011 -3.551 1.00 62.31 C ATOM 845 CD2 LEU A 55 -10.682 -4.846 -2.639 1.00 12.14 C ATOM 0 H LEU A 55 -10.935 -1.143 -3.554 1.00 64.30 H new ATOM 0 HA LEU A 55 -9.328 -3.347 -4.155 1.00 63.13 H new ATOM 0 HB2 LEU A 55 -12.173 -2.527 -4.790 1.00 54.43 H new ATOM 0 HB3 LEU A 55 -11.518 -4.008 -5.460 1.00 54.43 H new ATOM 0 HG LEU A 55 -12.071 -3.249 -2.656 1.00 72.05 H new ATOM 0 HD11 LEU A 55 -13.218 -5.522 -2.618 1.00 62.31 H new ATOM 0 HD12 LEU A 55 -13.852 -4.443 -3.882 1.00 62.31 H new ATOM 0 HD13 LEU A 55 -12.719 -5.746 -4.311 1.00 62.31 H new ATOM 0 HD21 LEU A 55 -11.071 -5.329 -1.742 1.00 12.14 H new ATOM 0 HD22 LEU A 55 -10.294 -5.604 -3.320 1.00 12.14 H new ATOM 0 HD23 LEU A 55 -9.880 -4.161 -2.363 1.00 12.14 H new ATOM 857 N ASN A 56 -9.625 -1.291 -6.651 1.00 33.43 N ATOM 858 CA ASN A 56 -9.283 -1.007 -8.042 1.00 14.14 C ATOM 859 C ASN A 56 -7.917 -0.323 -8.157 1.00 21.05 C ATOM 860 O ASN A 56 -7.520 0.035 -9.266 1.00 51.30 O ATOM 861 CB ASN A 56 -10.403 -0.200 -8.726 1.00 31.01 C ATOM 862 CG ASN A 56 -11.664 -1.038 -8.904 1.00 1.52 C ATOM 863 OD1 ASN A 56 -12.461 -1.196 -7.862 1.00 32.45 O flip ATOM 864 ND2 ASN A 56 -11.918 -1.572 -9.978 1.00 25.23 N flip ATOM 0 H ASN A 56 -9.914 -0.462 -6.132 1.00 33.43 H new ATOM 0 HA ASN A 56 -9.198 -1.956 -8.572 1.00 14.14 H new ATOM 0 HB2 ASN A 56 -10.633 0.683 -8.130 1.00 31.01 H new ATOM 0 HB3 ASN A 56 -10.058 0.152 -9.698 1.00 31.01 H new ATOM 0 HD21 ASN A 56 -11.293 -1.441 -10.773 1.00 25.23 H new ATOM 0 HD22 ASN A 56 -12.754 -2.148 -10.076 1.00 25.23 H new ATOM 871 N VAL A 57 -7.165 -0.156 -7.061 1.00 5.22 N ATOM 872 CA VAL A 57 -5.758 0.240 -7.139 1.00 61.32 C ATOM 873 C VAL A 57 -5.011 -0.880 -7.858 1.00 62.21 C ATOM 874 O VAL A 57 -5.120 -2.048 -7.465 1.00 1.33 O ATOM 875 CB VAL A 57 -5.153 0.439 -5.735 1.00 53.24 C ATOM 876 CG1 VAL A 57 -3.683 0.892 -5.818 1.00 65.11 C ATOM 877 CG2 VAL A 57 -5.854 1.472 -4.861 1.00 31.42 C ATOM 0 H VAL A 57 -7.510 -0.290 -6.111 1.00 5.22 H new ATOM 0 HA VAL A 57 -5.672 1.187 -7.672 1.00 61.32 H new ATOM 0 HB VAL A 57 -5.272 -0.544 -5.279 1.00 53.24 H new ATOM 0 HG11 VAL A 57 -3.285 1.024 -4.812 1.00 65.11 H new ATOM 0 HG12 VAL A 57 -3.099 0.137 -6.343 1.00 65.11 H new ATOM 0 HG13 VAL A 57 -3.623 1.837 -6.358 1.00 65.11 H new ATOM 0 HG21 VAL A 57 -5.350 1.534 -3.896 1.00 31.42 H new ATOM 0 HG22 VAL A 57 -5.822 2.445 -5.351 1.00 31.42 H new ATOM 0 HG23 VAL A 57 -6.892 1.176 -4.710 1.00 31.42 H new ATOM 887 N GLY A 58 -4.196 -0.541 -8.851 1.00 43.50 N ATOM 888 CA GLY A 58 -3.324 -1.488 -9.504 1.00 63.34 C ATOM 889 C GLY A 58 -2.157 -0.858 -10.263 1.00 44.41 C ATOM 890 O GLY A 58 -1.764 -1.352 -11.317 1.00 51.52 O ATOM 0 H GLY A 58 -4.128 0.407 -9.222 1.00 43.50 H new ATOM 0 HA2 GLY A 58 -2.926 -2.172 -8.755 1.00 63.34 H new ATOM 0 HA3 GLY A 58 -3.913 -2.085 -10.200 1.00 63.34 H new ATOM 894 N LEU A 59 -1.540 0.122 -9.602 1.00 1.35 N ATOM 895 CA LEU A 59 -0.161 0.570 -9.595 1.00 12.32 C ATOM 896 C LEU A 59 0.469 0.961 -10.944 1.00 74.44 C ATOM 897 O LEU A 59 0.117 0.472 -12.018 1.00 43.50 O ATOM 898 CB LEU A 59 0.597 -0.536 -8.845 1.00 61.22 C ATOM 899 CG LEU A 59 1.239 -0.235 -7.483 1.00 44.12 C ATOM 900 CD1 LEU A 59 2.606 0.404 -7.636 1.00 74.24 C ATOM 901 CD2 LEU A 59 0.372 0.632 -6.572 1.00 74.11 C ATOM 0 H LEU A 59 -2.088 0.701 -8.966 1.00 1.35 H new ATOM 0 HA LEU A 59 -0.100 1.541 -9.103 1.00 12.32 H new ATOM 0 HB2 LEU A 59 -0.096 -1.365 -8.701 1.00 61.22 H new ATOM 0 HB3 LEU A 59 1.388 -0.893 -9.505 1.00 61.22 H new ATOM 0 HG LEU A 59 1.343 -1.208 -7.003 1.00 44.12 H new ATOM 0 HD11 LEU A 59 3.028 0.602 -6.650 1.00 74.24 H new ATOM 0 HD12 LEU A 59 3.264 -0.271 -8.183 1.00 74.24 H new ATOM 0 HD13 LEU A 59 2.510 1.341 -8.184 1.00 74.24 H new ATOM 0 HD21 LEU A 59 0.892 0.802 -5.629 1.00 74.11 H new ATOM 0 HD22 LEU A 59 0.178 1.589 -7.057 1.00 74.11 H new ATOM 0 HD23 LEU A 59 -0.573 0.125 -6.379 1.00 74.11 H new ATOM 913 N VAL A 60 1.458 1.854 -10.882 1.00 1.52 N ATOM 914 CA VAL A 60 2.116 2.398 -12.073 1.00 32.22 C ATOM 915 C VAL A 60 3.637 2.407 -11.972 1.00 13.13 C ATOM 916 O VAL A 60 4.316 2.343 -13.000 1.00 5.52 O ATOM 917 CB VAL A 60 1.591 3.796 -12.423 1.00 33.44 C ATOM 918 CG1 VAL A 60 0.298 3.713 -13.236 1.00 45.22 C ATOM 919 CG2 VAL A 60 1.343 4.713 -11.235 1.00 44.30 C ATOM 0 H VAL A 60 1.826 2.221 -10.005 1.00 1.52 H new ATOM 0 HA VAL A 60 1.859 1.717 -12.884 1.00 32.22 H new ATOM 0 HB VAL A 60 2.401 4.237 -13.004 1.00 33.44 H new ATOM 0 HG11 VAL A 60 -0.050 4.719 -13.469 1.00 45.22 H new ATOM 0 HG12 VAL A 60 0.485 3.170 -14.162 1.00 45.22 H new ATOM 0 HG13 VAL A 60 -0.463 3.191 -12.656 1.00 45.22 H new ATOM 0 HG21 VAL A 60 0.974 5.676 -11.589 1.00 44.30 H new ATOM 0 HG22 VAL A 60 0.603 4.261 -10.575 1.00 44.30 H new ATOM 0 HG23 VAL A 60 2.275 4.860 -10.689 1.00 44.30 H new ATOM 929 N GLY A 61 4.177 2.466 -10.762 1.00 32.05 N ATOM 930 CA GLY A 61 5.613 2.319 -10.543 1.00 41.41 C ATOM 931 C GLY A 61 5.999 2.071 -9.090 1.00 71.01 C ATOM 932 O GLY A 61 5.269 2.446 -8.172 1.00 52.30 O ATOM 0 H GLY A 61 3.638 2.616 -9.909 1.00 32.05 H new ATOM 0 HA2 GLY A 61 5.980 1.492 -11.151 1.00 41.41 H new ATOM 0 HA3 GLY A 61 6.117 3.220 -10.893 1.00 41.41 H new ATOM 936 N VAL A 62 7.157 1.434 -8.897 1.00 65.04 N ATOM 937 CA VAL A 62 7.803 1.187 -7.611 1.00 61.22 C ATOM 938 C VAL A 62 9.298 1.080 -7.971 1.00 33.24 C ATOM 939 O VAL A 62 9.733 0.098 -8.574 1.00 14.25 O ATOM 940 CB VAL A 62 7.293 -0.113 -6.922 1.00 61.20 C ATOM 941 CG1 VAL A 62 7.424 -0.123 -5.389 1.00 65.10 C ATOM 942 CG2 VAL A 62 5.835 -0.502 -7.185 1.00 25.01 C ATOM 0 H VAL A 62 7.696 1.058 -9.677 1.00 65.04 H new ATOM 0 HA VAL A 62 7.588 1.976 -6.890 1.00 61.22 H new ATOM 0 HB VAL A 62 7.964 -0.828 -7.398 1.00 61.20 H new ATOM 0 HG11 VAL A 62 7.044 -1.067 -4.998 1.00 65.10 H new ATOM 0 HG12 VAL A 62 8.472 -0.011 -5.113 1.00 65.10 H new ATOM 0 HG13 VAL A 62 6.848 0.702 -4.969 1.00 65.10 H new ATOM 0 HG21 VAL A 62 5.602 -1.423 -6.651 1.00 25.01 H new ATOM 0 HG22 VAL A 62 5.177 0.295 -6.838 1.00 25.01 H new ATOM 0 HG23 VAL A 62 5.686 -0.655 -8.254 1.00 25.01 H new ATOM 952 N GLU A 63 10.072 2.119 -7.687 1.00 3.33 N ATOM 953 CA GLU A 63 11.517 2.219 -7.886 1.00 22.34 C ATOM 954 C GLU A 63 12.173 3.073 -6.797 1.00 32.01 C ATOM 955 O GLU A 63 11.532 3.973 -6.256 1.00 54.31 O ATOM 956 CB GLU A 63 11.831 2.864 -9.243 1.00 64.00 C ATOM 957 CG GLU A 63 11.779 1.836 -10.375 1.00 64.23 C ATOM 958 CD GLU A 63 12.832 2.051 -11.478 1.00 50.52 C ATOM 959 OE1 GLU A 63 13.980 2.459 -11.184 1.00 10.11 O ATOM 960 OE2 GLU A 63 12.484 1.894 -12.673 1.00 74.22 O ATOM 0 H GLU A 63 9.684 2.972 -7.285 1.00 3.33 H new ATOM 0 HA GLU A 63 11.913 1.205 -7.845 1.00 22.34 H new ATOM 0 HB2 GLU A 63 11.117 3.663 -9.442 1.00 64.00 H new ATOM 0 HB3 GLU A 63 12.820 3.321 -9.210 1.00 64.00 H new ATOM 0 HG2 GLU A 63 11.912 0.840 -9.952 1.00 64.23 H new ATOM 0 HG3 GLU A 63 10.787 1.861 -10.827 1.00 64.23 H new ATOM 967 N PRO A 64 13.461 2.850 -6.494 1.00 64.21 N ATOM 968 CA PRO A 64 14.176 3.576 -5.455 1.00 5.41 C ATOM 969 C PRO A 64 14.109 5.086 -5.695 1.00 73.23 C ATOM 970 O PRO A 64 14.398 5.567 -6.789 1.00 65.40 O ATOM 971 CB PRO A 64 15.606 3.030 -5.487 1.00 23.04 C ATOM 972 CG PRO A 64 15.762 2.468 -6.899 1.00 30.44 C ATOM 973 CD PRO A 64 14.360 1.952 -7.204 1.00 50.31 C ATOM 0 HA PRO A 64 13.735 3.431 -4.469 1.00 5.41 H new ATOM 0 HB2 PRO A 64 16.336 3.814 -5.288 1.00 23.04 H new ATOM 0 HB3 PRO A 64 15.754 2.258 -4.732 1.00 23.04 H new ATOM 0 HG2 PRO A 64 16.076 3.234 -7.608 1.00 30.44 H new ATOM 0 HG3 PRO A 64 16.505 1.672 -6.939 1.00 30.44 H new ATOM 0 HD2 PRO A 64 14.161 1.962 -8.276 1.00 50.31 H new ATOM 0 HD3 PRO A 64 14.237 0.923 -6.866 1.00 50.31 H new ATOM 981 N ALA A 65 13.712 5.836 -4.667 1.00 53.14 N ATOM 982 CA ALA A 65 14.025 7.253 -4.561 1.00 1.51 C ATOM 983 C ALA A 65 15.415 7.393 -3.924 1.00 1.15 C ATOM 984 O ALA A 65 15.557 7.676 -2.729 1.00 44.34 O ATOM 985 CB ALA A 65 12.939 8.002 -3.776 1.00 71.23 C ATOM 0 H ALA A 65 13.164 5.474 -3.886 1.00 53.14 H new ATOM 0 HA ALA A 65 14.045 7.711 -5.550 1.00 1.51 H new ATOM 0 HB1 ALA A 65 13.199 9.059 -3.713 1.00 71.23 H new ATOM 0 HB2 ALA A 65 11.982 7.894 -4.286 1.00 71.23 H new ATOM 0 HB3 ALA A 65 12.864 7.586 -2.771 1.00 71.23 H new ATOM 991 N GLY A 66 16.467 7.237 -4.722 1.00 2.51 N ATOM 992 CA GLY A 66 17.843 7.459 -4.314 1.00 53.11 C ATOM 993 C GLY A 66 18.422 6.188 -3.710 1.00 51.53 C ATOM 994 O GLY A 66 18.422 5.141 -4.353 1.00 61.42 O ATOM 0 H GLY A 66 16.380 6.945 -5.695 1.00 2.51 H new ATOM 0 HA2 GLY A 66 18.440 7.767 -5.173 1.00 53.11 H new ATOM 0 HA3 GLY A 66 17.888 8.270 -3.587 1.00 53.11 H new ATOM 998 N GLN A 67 18.944 6.272 -2.485 1.00 51.34 N ATOM 999 CA GLN A 67 19.529 5.124 -1.789 1.00 1.12 C ATOM 1000 C GLN A 67 18.946 4.971 -0.380 1.00 4.35 C ATOM 1001 O GLN A 67 19.507 4.255 0.448 1.00 23.11 O ATOM 1002 CB GLN A 67 21.070 5.194 -1.805 1.00 64.21 C ATOM 1003 CG GLN A 67 21.629 5.295 -3.237 1.00 31.44 C ATOM 1004 CD GLN A 67 23.122 4.992 -3.374 1.00 51.10 C ATOM 1005 OE1 GLN A 67 23.797 4.523 -2.458 1.00 72.33 O ATOM 1006 NE2 GLN A 67 23.679 5.209 -4.554 1.00 72.21 N ATOM 0 H GLN A 67 18.973 7.138 -1.947 1.00 51.34 H new ATOM 0 HA GLN A 67 19.257 4.217 -2.328 1.00 1.12 H new ATOM 0 HB2 GLN A 67 21.400 6.056 -1.226 1.00 64.21 H new ATOM 0 HB3 GLN A 67 21.478 4.308 -1.318 1.00 64.21 H new ATOM 0 HG2 GLN A 67 21.075 4.608 -3.876 1.00 31.44 H new ATOM 0 HG3 GLN A 67 21.442 6.301 -3.613 1.00 31.44 H new ATOM 0 HE21 GLN A 67 23.124 5.598 -5.316 1.00 72.21 H new ATOM 0 HE22 GLN A 67 24.664 4.988 -4.702 1.00 72.21 H new ATOM 1015 N TYR A 68 17.835 5.653 -0.086 1.00 73.04 N ATOM 1016 CA TYR A 68 17.248 5.704 1.259 1.00 32.31 C ATOM 1017 C TYR A 68 15.715 5.669 1.254 1.00 25.01 C ATOM 1018 O TYR A 68 15.126 5.363 2.291 1.00 51.32 O ATOM 1019 CB TYR A 68 17.812 6.887 2.070 1.00 20.23 C ATOM 1020 CG TYR A 68 18.336 8.047 1.250 1.00 10.13 C ATOM 1021 CD1 TYR A 68 19.643 7.990 0.726 1.00 30.34 C ATOM 1022 CD2 TYR A 68 17.512 9.152 0.976 1.00 74.20 C ATOM 1023 CE1 TYR A 68 20.118 9.018 -0.098 1.00 10.42 C ATOM 1024 CE2 TYR A 68 17.989 10.200 0.170 1.00 74.12 C ATOM 1025 CZ TYR A 68 19.298 10.136 -0.362 1.00 64.02 C ATOM 1026 OH TYR A 68 19.806 11.127 -1.142 1.00 43.13 O ATOM 0 H TYR A 68 17.313 6.190 -0.779 1.00 73.04 H new ATOM 0 HA TYR A 68 17.550 4.788 1.766 1.00 32.31 H new ATOM 0 HB2 TYR A 68 17.029 7.257 2.732 1.00 20.23 H new ATOM 0 HB3 TYR A 68 18.619 6.519 2.704 1.00 20.23 H new ATOM 0 HD1 TYR A 68 20.281 7.151 0.961 1.00 30.34 H new ATOM 0 HD2 TYR A 68 16.513 9.196 1.384 1.00 74.20 H new ATOM 0 HE1 TYR A 68 21.106 8.956 -0.529 1.00 10.42 H new ATOM 0 HE2 TYR A 68 17.359 11.051 -0.042 1.00 74.12 H new ATOM 0 HH TYR A 68 19.138 11.837 -1.246 1.00 43.13 H new ATOM 1036 N ALA A 69 15.072 5.923 0.111 1.00 65.42 N ATOM 1037 CA ALA A 69 13.631 6.068 -0.031 1.00 10.51 C ATOM 1038 C ALA A 69 13.146 5.266 -1.249 1.00 3.44 C ATOM 1039 O ALA A 69 13.964 4.786 -2.038 1.00 22.32 O ATOM 1040 CB ALA A 69 13.327 7.572 -0.124 1.00 45.10 C ATOM 0 H ALA A 69 15.567 6.037 -0.774 1.00 65.42 H new ATOM 0 HA ALA A 69 13.091 5.664 0.825 1.00 10.51 H new ATOM 0 HB1 ALA A 69 12.252 7.720 -0.232 1.00 45.10 H new ATOM 0 HB2 ALA A 69 13.673 8.070 0.782 1.00 45.10 H new ATOM 0 HB3 ALA A 69 13.840 7.994 -0.988 1.00 45.10 H new ATOM 1046 N LEU A 70 11.828 5.136 -1.437 1.00 23.23 N ATOM 1047 CA LEU A 70 11.209 4.421 -2.558 1.00 25.31 C ATOM 1048 C LEU A 70 10.124 5.338 -3.114 1.00 61.42 C ATOM 1049 O LEU A 70 9.134 5.612 -2.442 1.00 10.25 O ATOM 1050 CB LEU A 70 10.624 3.062 -2.108 1.00 30.03 C ATOM 1051 CG LEU A 70 10.153 2.067 -3.195 1.00 74.00 C ATOM 1052 CD1 LEU A 70 9.260 2.735 -4.222 1.00 3.54 C ATOM 1053 CD2 LEU A 70 11.273 1.328 -3.931 1.00 53.54 C ATOM 0 H LEU A 70 11.144 5.537 -0.795 1.00 23.23 H new ATOM 0 HA LEU A 70 11.949 4.188 -3.324 1.00 25.31 H new ATOM 0 HB2 LEU A 70 11.379 2.560 -1.503 1.00 30.03 H new ATOM 0 HB3 LEU A 70 9.776 3.266 -1.455 1.00 30.03 H new ATOM 0 HG LEU A 70 9.597 1.320 -2.628 1.00 74.00 H new ATOM 0 HD11 LEU A 70 8.951 2.002 -4.967 1.00 3.54 H new ATOM 0 HD12 LEU A 70 8.379 3.143 -3.727 1.00 3.54 H new ATOM 0 HD13 LEU A 70 9.807 3.541 -4.711 1.00 3.54 H new ATOM 0 HD21 LEU A 70 10.840 0.655 -4.671 1.00 53.54 H new ATOM 0 HD22 LEU A 70 11.918 2.050 -4.431 1.00 53.54 H new ATOM 0 HD23 LEU A 70 11.859 0.751 -3.216 1.00 53.54 H new ATOM 1065 N LYS A 71 10.276 5.759 -4.365 1.00 44.22 N ATOM 1066 CA LYS A 71 9.221 6.421 -5.108 1.00 45.34 C ATOM 1067 C LYS A 71 8.136 5.405 -5.482 1.00 12.44 C ATOM 1068 O LYS A 71 8.227 4.754 -6.527 1.00 72.20 O ATOM 1069 CB LYS A 71 9.845 7.071 -6.346 1.00 65.41 C ATOM 1070 CG LYS A 71 8.908 8.143 -6.905 1.00 63.01 C ATOM 1071 CD LYS A 71 9.675 8.909 -7.974 1.00 53.34 C ATOM 1072 CE LYS A 71 8.840 10.016 -8.627 1.00 22.32 C ATOM 1073 NZ LYS A 71 7.717 9.498 -9.426 1.00 2.41 N ATOM 0 H LYS A 71 11.142 5.648 -4.892 1.00 44.22 H new ATOM 0 HA LYS A 71 8.745 7.195 -4.506 1.00 45.34 H new ATOM 0 HB2 LYS A 71 10.806 7.516 -6.088 1.00 65.41 H new ATOM 0 HB3 LYS A 71 10.038 6.314 -7.106 1.00 65.41 H new ATOM 0 HG2 LYS A 71 8.013 7.687 -7.328 1.00 63.01 H new ATOM 0 HG3 LYS A 71 8.579 8.816 -6.113 1.00 63.01 H new ATOM 0 HD2 LYS A 71 10.568 9.348 -7.529 1.00 53.34 H new ATOM 0 HD3 LYS A 71 10.011 8.213 -8.742 1.00 53.34 H new ATOM 0 HE2 LYS A 71 8.452 10.676 -7.851 1.00 22.32 H new ATOM 0 HE3 LYS A 71 9.484 10.620 -9.266 1.00 22.32 H new ATOM 0 HZ1 LYS A 71 7.191 10.293 -9.841 1.00 2.41 H new ATOM 0 HZ2 LYS A 71 8.083 8.890 -10.186 1.00 2.41 H new ATOM 0 HZ3 LYS A 71 7.083 8.944 -8.815 1.00 2.41 H new ATOM 1087 N LEU A 72 7.136 5.208 -4.617 1.00 4.31 N ATOM 1088 CA LEU A 72 5.916 4.524 -5.021 1.00 1.21 C ATOM 1089 C LEU A 72 5.224 5.416 -6.050 1.00 14.21 C ATOM 1090 O LEU A 72 5.427 6.632 -6.064 1.00 42.50 O ATOM 1091 CB LEU A 72 4.990 4.285 -3.823 1.00 22.02 C ATOM 1092 CG LEU A 72 4.741 2.802 -3.493 1.00 13.35 C ATOM 1093 CD1 LEU A 72 4.189 1.926 -4.612 1.00 50.41 C ATOM 1094 CD2 LEU A 72 5.873 2.131 -2.746 1.00 43.22 C ATOM 0 H LEU A 72 7.152 5.511 -3.643 1.00 4.31 H new ATOM 0 HA LEU A 72 6.154 3.547 -5.441 1.00 1.21 H new ATOM 0 HB2 LEU A 72 5.418 4.772 -2.947 1.00 22.02 H new ATOM 0 HB3 LEU A 72 4.032 4.766 -4.019 1.00 22.02 H new ATOM 0 HG LEU A 72 3.905 2.886 -2.799 1.00 13.35 H new ATOM 0 HD11 LEU A 72 4.061 0.907 -4.247 1.00 50.41 H new ATOM 0 HD12 LEU A 72 3.226 2.318 -4.940 1.00 50.41 H new ATOM 0 HD13 LEU A 72 4.885 1.926 -5.451 1.00 50.41 H new ATOM 0 HD21 LEU A 72 5.615 1.089 -2.554 1.00 43.22 H new ATOM 0 HD22 LEU A 72 6.782 2.175 -3.346 1.00 43.22 H new ATOM 0 HD23 LEU A 72 6.039 2.644 -1.799 1.00 43.22 H new ATOM 1106 N SER A 73 4.358 4.853 -6.883 1.00 70.41 N ATOM 1107 CA SER A 73 3.513 5.623 -7.778 1.00 51.20 C ATOM 1108 C SER A 73 2.239 4.818 -7.996 1.00 65.12 C ATOM 1109 O SER A 73 2.291 3.705 -8.529 1.00 32.23 O ATOM 1110 CB SER A 73 4.261 5.919 -9.084 1.00 24.44 C ATOM 1111 OG SER A 73 5.508 6.530 -8.816 1.00 10.51 O ATOM 0 H SER A 73 4.224 3.844 -6.955 1.00 70.41 H new ATOM 0 HA SER A 73 3.252 6.593 -7.354 1.00 51.20 H new ATOM 0 HB2 SER A 73 4.415 4.994 -9.639 1.00 24.44 H new ATOM 0 HB3 SER A 73 3.658 6.572 -9.715 1.00 24.44 H new ATOM 0 HG SER A 73 5.972 6.710 -9.660 1.00 10.51 H new ATOM 1117 N PHE A 74 1.107 5.347 -7.539 1.00 53.54 N ATOM 1118 CA PHE A 74 -0.160 4.636 -7.503 1.00 52.44 C ATOM 1119 C PHE A 74 -1.092 5.208 -8.563 1.00 32.04 C ATOM 1120 O PHE A 74 -1.233 6.422 -8.686 1.00 1.33 O ATOM 1121 CB PHE A 74 -0.783 4.784 -6.110 1.00 50.33 C ATOM 1122 CG PHE A 74 -0.022 4.179 -4.939 1.00 65.41 C ATOM 1123 CD1 PHE A 74 1.002 4.892 -4.279 1.00 23.43 C ATOM 1124 CD2 PHE A 74 -0.402 2.918 -4.443 1.00 3.45 C ATOM 1125 CE1 PHE A 74 1.571 4.386 -3.099 1.00 25.32 C ATOM 1126 CE2 PHE A 74 0.207 2.390 -3.294 1.00 31.03 C ATOM 1127 CZ PHE A 74 1.174 3.138 -2.604 1.00 30.41 C ATOM 0 H PHE A 74 1.048 6.299 -7.178 1.00 53.54 H new ATOM 0 HA PHE A 74 0.001 3.578 -7.710 1.00 52.44 H new ATOM 0 HB2 PHE A 74 -0.918 5.847 -5.912 1.00 50.33 H new ATOM 0 HB3 PHE A 74 -1.776 4.336 -6.135 1.00 50.33 H new ATOM 0 HD1 PHE A 74 1.350 5.831 -4.683 1.00 23.43 H new ATOM 0 HD2 PHE A 74 -1.169 2.352 -4.951 1.00 3.45 H new ATOM 0 HE1 PHE A 74 2.317 4.962 -2.572 1.00 25.32 H new ATOM 0 HE2 PHE A 74 -0.069 1.407 -2.940 1.00 31.03 H new ATOM 0 HZ PHE A 74 1.610 2.752 -1.694 1.00 30.41 H new ATOM 1137 N ASP A 75 -1.754 4.314 -9.290 1.00 42.13 N ATOM 1138 CA ASP A 75 -2.684 4.583 -10.385 1.00 25.12 C ATOM 1139 C ASP A 75 -3.985 5.225 -9.906 1.00 54.21 C ATOM 1140 O ASP A 75 -4.662 5.895 -10.686 1.00 71.31 O ATOM 1141 CB ASP A 75 -3.015 3.256 -11.082 1.00 3.15 C ATOM 1142 CG ASP A 75 -3.849 2.318 -10.212 1.00 32.12 C ATOM 1143 OD1 ASP A 75 -3.515 2.167 -9.013 1.00 70.03 O ATOM 1144 OD2 ASP A 75 -4.760 1.656 -10.757 1.00 45.54 O ATOM 0 H ASP A 75 -1.649 3.314 -9.119 1.00 42.13 H new ATOM 0 HA ASP A 75 -2.202 5.285 -11.065 1.00 25.12 H new ATOM 0 HB2 ASP A 75 -3.555 3.462 -12.006 1.00 3.15 H new ATOM 0 HB3 ASP A 75 -2.087 2.756 -11.360 1.00 3.15 H new ATOM 1149 N ASP A 76 -4.327 5.058 -8.629 1.00 10.55 N ATOM 1150 CA ASP A 76 -5.398 5.787 -7.945 1.00 62.11 C ATOM 1151 C ASP A 76 -5.098 7.296 -7.872 1.00 1.23 C ATOM 1152 O ASP A 76 -6.009 8.115 -7.736 1.00 2.33 O ATOM 1153 CB ASP A 76 -5.598 5.165 -6.560 1.00 65.11 C ATOM 1154 CG ASP A 76 -6.472 6.032 -5.657 1.00 25.14 C ATOM 1155 OD1 ASP A 76 -7.714 5.989 -5.741 1.00 25.34 O ATOM 1156 OD2 ASP A 76 -5.887 6.753 -4.823 1.00 41.42 O ATOM 0 H ASP A 76 -3.852 4.391 -8.021 1.00 10.55 H new ATOM 0 HA ASP A 76 -6.326 5.698 -8.511 1.00 62.11 H new ATOM 0 HB2 ASP A 76 -6.055 4.181 -6.668 1.00 65.11 H new ATOM 0 HB3 ASP A 76 -4.627 5.015 -6.088 1.00 65.11 H new ATOM 1161 N GLY A 77 -3.835 7.703 -8.035 1.00 70.44 N ATOM 1162 CA GLY A 77 -3.479 9.039 -8.494 1.00 34.14 C ATOM 1163 C GLY A 77 -2.559 9.812 -7.554 1.00 21.01 C ATOM 1164 O GLY A 77 -1.750 10.605 -8.046 1.00 1.12 O ATOM 0 H GLY A 77 -3.029 7.106 -7.849 1.00 70.44 H new ATOM 0 HA2 GLY A 77 -2.996 8.957 -9.467 1.00 34.14 H new ATOM 0 HA3 GLY A 77 -4.393 9.614 -8.640 1.00 34.14 H new ATOM 1168 N HIS A 78 -2.631 9.601 -6.232 1.00 31.13 N ATOM 1169 CA HIS A 78 -1.691 10.209 -5.296 1.00 2.25 C ATOM 1170 C HIS A 78 -0.372 9.436 -5.366 1.00 31.44 C ATOM 1171 O HIS A 78 -0.233 8.358 -4.773 1.00 31.42 O ATOM 1172 CB HIS A 78 -2.241 10.292 -3.864 1.00 45.13 C ATOM 1173 CG HIS A 78 -1.553 11.387 -3.082 1.00 51.24 C ATOM 1174 ND1 HIS A 78 -0.264 11.388 -2.584 1.00 62.23 N ATOM 1175 CD2 HIS A 78 -2.079 12.627 -2.850 1.00 3.34 C ATOM 1176 CE1 HIS A 78 -0.028 12.605 -2.065 1.00 10.51 C ATOM 1177 NE2 HIS A 78 -1.128 13.376 -2.149 1.00 22.25 N ATOM 0 H HIS A 78 -3.336 9.010 -5.791 1.00 31.13 H new ATOM 0 HA HIS A 78 -1.523 11.246 -5.589 1.00 2.25 H new ATOM 0 HB2 HIS A 78 -3.314 10.480 -3.893 1.00 45.13 H new ATOM 0 HB3 HIS A 78 -2.099 9.336 -3.360 1.00 45.13 H new ATOM 0 HD2 HIS A 78 -3.057 12.969 -3.154 1.00 3.34 H new ATOM 0 HE1 HIS A 78 0.913 12.920 -1.640 1.00 10.51 H new ATOM 0 HE2 HIS A 78 -1.245 14.318 -1.776 1.00 22.25 H new ATOM 1185 N ASP A 79 0.583 9.953 -6.131 1.00 14.53 N ATOM 1186 CA ASP A 79 1.848 9.300 -6.452 1.00 5.25 C ATOM 1187 C ASP A 79 3.019 9.895 -5.670 1.00 73.21 C ATOM 1188 O ASP A 79 3.972 9.169 -5.386 1.00 62.43 O ATOM 1189 CB ASP A 79 2.124 9.364 -7.964 1.00 30.33 C ATOM 1190 CG ASP A 79 2.650 10.733 -8.409 1.00 71.21 C ATOM 1191 OD1 ASP A 79 1.821 11.673 -8.453 1.00 5.34 O ATOM 1192 OD2 ASP A 79 3.869 10.860 -8.673 1.00 22.21 O ATOM 0 H ASP A 79 0.494 10.874 -6.561 1.00 14.53 H new ATOM 0 HA ASP A 79 1.755 8.256 -6.153 1.00 5.25 H new ATOM 0 HB2 ASP A 79 2.850 8.596 -8.230 1.00 30.33 H new ATOM 0 HB3 ASP A 79 1.207 9.137 -8.507 1.00 30.33 H new ATOM 1197 N SER A 80 2.962 11.174 -5.296 1.00 25.44 N ATOM 1198 CA SER A 80 4.030 11.814 -4.537 1.00 62.44 C ATOM 1199 C SER A 80 3.990 11.403 -3.059 1.00 12.21 C ATOM 1200 O SER A 80 3.058 10.717 -2.610 1.00 1.53 O ATOM 1201 CB SER A 80 3.988 13.323 -4.774 1.00 11.33 C ATOM 1202 OG SER A 80 4.337 13.547 -6.127 1.00 70.04 O ATOM 0 H SER A 80 2.178 11.790 -5.511 1.00 25.44 H new ATOM 0 HA SER A 80 5.000 11.467 -4.892 1.00 62.44 H new ATOM 0 HB2 SER A 80 2.994 13.717 -4.563 1.00 11.33 H new ATOM 0 HB3 SER A 80 4.682 13.836 -4.108 1.00 11.33 H new ATOM 0 HG SER A 80 4.318 14.509 -6.315 1.00 70.04 H new ATOM 1208 N GLY A 81 5.048 11.735 -2.316 1.00 63.41 N ATOM 1209 CA GLY A 81 5.365 11.158 -1.021 1.00 14.12 C ATOM 1210 C GLY A 81 6.872 10.949 -0.903 1.00 61.32 C ATOM 1211 O GLY A 81 7.654 11.706 -1.479 1.00 53.22 O ATOM 0 H GLY A 81 5.726 12.436 -2.615 1.00 63.41 H new ATOM 0 HA2 GLY A 81 5.016 11.815 -0.225 1.00 14.12 H new ATOM 0 HA3 GLY A 81 4.846 10.207 -0.899 1.00 14.12 H new ATOM 1215 N LEU A 82 7.280 9.976 -0.083 1.00 3.45 N ATOM 1216 CA LEU A 82 8.683 9.754 0.264 1.00 72.10 C ATOM 1217 C LEU A 82 8.978 8.268 0.402 1.00 44.51 C ATOM 1218 O LEU A 82 9.661 7.723 -0.462 1.00 32.45 O ATOM 1219 CB LEU A 82 9.037 10.590 1.513 1.00 54.32 C ATOM 1220 CG LEU A 82 10.352 10.262 2.246 1.00 4.51 C ATOM 1221 CD1 LEU A 82 11.590 10.374 1.356 1.00 63.11 C ATOM 1222 CD2 LEU A 82 10.523 11.213 3.435 1.00 44.30 C ATOM 0 H LEU A 82 6.640 9.317 0.361 1.00 3.45 H new ATOM 0 HA LEU A 82 9.334 10.098 -0.540 1.00 72.10 H new ATOM 0 HB2 LEU A 82 9.071 11.638 1.216 1.00 54.32 H new ATOM 0 HB3 LEU A 82 8.220 10.487 2.228 1.00 54.32 H new ATOM 0 HG LEU A 82 10.274 9.224 2.569 1.00 4.51 H new ATOM 0 HD11 LEU A 82 12.479 10.129 1.937 1.00 63.11 H new ATOM 0 HD12 LEU A 82 11.501 9.680 0.520 1.00 63.11 H new ATOM 0 HD13 LEU A 82 11.674 11.392 0.976 1.00 63.11 H new ATOM 0 HD21 LEU A 82 11.453 10.982 3.955 1.00 44.30 H new ATOM 0 HD22 LEU A 82 10.553 12.242 3.077 1.00 44.30 H new ATOM 0 HD23 LEU A 82 9.685 11.092 4.121 1.00 44.30 H new ATOM 1234 N PHE A 83 8.447 7.639 1.454 1.00 2.13 N ATOM 1235 CA PHE A 83 8.869 6.348 1.989 1.00 32.02 C ATOM 1236 C PHE A 83 10.353 6.307 2.343 1.00 4.32 C ATOM 1237 O PHE A 83 11.170 7.094 1.878 1.00 53.12 O ATOM 1238 CB PHE A 83 8.452 5.184 1.090 1.00 64.00 C ATOM 1239 CG PHE A 83 6.956 5.028 1.013 1.00 41.52 C ATOM 1240 CD1 PHE A 83 6.283 4.319 2.028 1.00 12.12 C ATOM 1241 CD2 PHE A 83 6.237 5.641 -0.032 1.00 3.24 C ATOM 1242 CE1 PHE A 83 4.887 4.217 1.995 1.00 13.55 C ATOM 1243 CE2 PHE A 83 4.837 5.525 -0.067 1.00 44.43 C ATOM 1244 CZ PHE A 83 4.180 4.804 0.944 1.00 54.40 C ATOM 0 H PHE A 83 7.671 8.040 1.981 1.00 2.13 H new ATOM 0 HA PHE A 83 8.334 6.223 2.930 1.00 32.02 H new ATOM 0 HB2 PHE A 83 8.851 5.341 0.088 1.00 64.00 H new ATOM 0 HB3 PHE A 83 8.892 4.261 1.467 1.00 64.00 H new ATOM 0 HD1 PHE A 83 6.842 3.856 2.828 1.00 12.12 H new ATOM 0 HD2 PHE A 83 6.757 6.195 -0.799 1.00 3.24 H new ATOM 0 HE1 PHE A 83 4.361 3.688 2.776 1.00 13.55 H new ATOM 0 HE2 PHE A 83 4.272 5.986 -0.863 1.00 44.43 H new ATOM 0 HZ PHE A 83 3.105 4.702 0.907 1.00 54.40 H new ATOM 1254 N THR A 84 10.723 5.353 3.181 1.00 33.25 N ATOM 1255 CA THR A 84 12.069 5.239 3.708 1.00 35.23 C ATOM 1256 C THR A 84 12.315 3.749 3.896 1.00 72.24 C ATOM 1257 O THR A 84 11.372 3.009 4.192 1.00 73.30 O ATOM 1258 CB THR A 84 12.209 6.049 5.018 1.00 0.44 C ATOM 1259 OG1 THR A 84 11.030 6.763 5.389 1.00 0.53 O ATOM 1260 CG2 THR A 84 13.345 7.066 4.891 1.00 55.24 C ATOM 0 H THR A 84 10.089 4.629 3.517 1.00 33.25 H new ATOM 0 HA THR A 84 12.818 5.656 3.035 1.00 35.23 H new ATOM 0 HB THR A 84 12.410 5.308 5.792 1.00 0.44 H new ATOM 0 HG1 THR A 84 11.191 7.249 6.225 1.00 0.53 H new ATOM 0 HG21 THR A 84 13.434 7.630 5.819 1.00 55.24 H new ATOM 0 HG22 THR A 84 14.281 6.543 4.693 1.00 55.24 H new ATOM 0 HG23 THR A 84 13.131 7.750 4.070 1.00 55.24 H new ATOM 1268 N TRP A 85 13.541 3.274 3.678 1.00 35.45 N ATOM 1269 CA TRP A 85 13.782 1.838 3.666 1.00 11.11 C ATOM 1270 C TRP A 85 13.425 1.179 4.997 1.00 2.33 C ATOM 1271 O TRP A 85 12.784 0.129 5.007 1.00 32.25 O ATOM 1272 CB TRP A 85 15.224 1.534 3.286 1.00 32.21 C ATOM 1273 CG TRP A 85 15.664 1.897 1.891 1.00 1.14 C ATOM 1274 CD1 TRP A 85 16.850 2.462 1.564 1.00 33.31 C ATOM 1275 CD2 TRP A 85 15.016 1.603 0.615 1.00 14.24 C ATOM 1276 NE1 TRP A 85 16.999 2.490 0.197 1.00 41.54 N ATOM 1277 CE2 TRP A 85 15.877 2.019 -0.442 1.00 64.04 C ATOM 1278 CE3 TRP A 85 13.803 0.994 0.237 1.00 53.41 C ATOM 1279 CZ2 TRP A 85 15.542 1.866 -1.794 1.00 12.25 C ATOM 1280 CZ3 TRP A 85 13.450 0.852 -1.113 1.00 74.01 C ATOM 1281 CH2 TRP A 85 14.321 1.266 -2.134 1.00 43.40 C ATOM 0 H TRP A 85 14.365 3.851 3.511 1.00 35.45 H new ATOM 0 HA TRP A 85 13.123 1.412 2.909 1.00 11.11 H new ATOM 0 HB2 TRP A 85 15.875 2.053 3.990 1.00 32.21 H new ATOM 0 HB3 TRP A 85 15.391 0.466 3.425 1.00 32.21 H new ATOM 0 HD1 TRP A 85 17.574 2.836 2.273 1.00 33.31 H new ATOM 0 HE1 TRP A 85 17.837 2.819 -0.282 1.00 41.54 H new ATOM 0 HE3 TRP A 85 13.132 0.630 1.001 1.00 53.41 H new ATOM 0 HZ2 TRP A 85 16.217 2.206 -2.566 1.00 12.25 H new ATOM 0 HZ3 TRP A 85 12.495 0.418 -1.371 1.00 74.01 H new ATOM 0 HH2 TRP A 85 14.053 1.124 -3.171 1.00 43.40 H new ATOM 1292 N ASP A 86 13.801 1.819 6.107 1.00 71.21 N ATOM 1293 CA ASP A 86 13.568 1.316 7.461 1.00 73.02 C ATOM 1294 C ASP A 86 12.071 1.312 7.825 1.00 74.44 C ATOM 1295 O ASP A 86 11.674 0.697 8.814 1.00 23.44 O ATOM 1296 CB ASP A 86 14.379 2.162 8.461 1.00 2.42 C ATOM 1297 CG ASP A 86 15.274 1.314 9.364 1.00 31.14 C ATOM 1298 OD1 ASP A 86 16.421 0.981 8.983 1.00 61.34 O ATOM 1299 OD2 ASP A 86 14.851 1.001 10.502 1.00 62.11 O ATOM 0 H ASP A 86 14.284 2.717 6.088 1.00 71.21 H new ATOM 0 HA ASP A 86 13.901 0.279 7.508 1.00 73.02 H new ATOM 0 HB2 ASP A 86 14.995 2.874 7.912 1.00 2.42 H new ATOM 0 HB3 ASP A 86 13.694 2.743 9.078 1.00 2.42 H new ATOM 1304 N TYR A 87 11.232 1.986 7.032 1.00 42.34 N ATOM 1305 CA TYR A 87 9.780 2.039 7.161 1.00 35.31 C ATOM 1306 C TYR A 87 9.126 1.004 6.235 1.00 63.24 C ATOM 1307 O TYR A 87 8.221 0.280 6.637 1.00 71.42 O ATOM 1308 CB TYR A 87 9.330 3.476 6.844 1.00 44.40 C ATOM 1309 CG TYR A 87 7.845 3.752 6.955 1.00 43.24 C ATOM 1310 CD1 TYR A 87 7.159 3.423 8.138 1.00 43.31 C ATOM 1311 CD2 TYR A 87 7.164 4.393 5.898 1.00 60.23 C ATOM 1312 CE1 TYR A 87 5.799 3.739 8.269 1.00 33.05 C ATOM 1313 CE2 TYR A 87 5.796 4.700 6.012 1.00 51.53 C ATOM 1314 CZ TYR A 87 5.115 4.377 7.209 1.00 11.41 C ATOM 1315 OH TYR A 87 3.787 4.634 7.322 1.00 20.34 O ATOM 0 H TYR A 87 11.570 2.537 6.243 1.00 42.34 H new ATOM 0 HA TYR A 87 9.467 1.787 8.174 1.00 35.31 H new ATOM 0 HB2 TYR A 87 9.856 4.155 7.515 1.00 44.40 H new ATOM 0 HB3 TYR A 87 9.649 3.719 5.830 1.00 44.40 H new ATOM 0 HD1 TYR A 87 7.679 2.928 8.945 1.00 43.31 H new ATOM 0 HD2 TYR A 87 7.697 4.650 4.995 1.00 60.23 H new ATOM 0 HE1 TYR A 87 5.274 3.495 9.180 1.00 33.05 H new ATOM 0 HE2 TYR A 87 5.272 5.176 5.196 1.00 51.53 H new ATOM 0 HH TYR A 87 3.646 5.339 7.988 1.00 20.34 H new ATOM 1325 N LEU A 88 9.594 0.878 4.992 1.00 4.43 N ATOM 1326 CA LEU A 88 9.010 -0.023 3.997 1.00 24.14 C ATOM 1327 C LEU A 88 9.089 -1.482 4.436 1.00 35.43 C ATOM 1328 O LEU A 88 8.105 -2.218 4.316 1.00 61.02 O ATOM 1329 CB LEU A 88 9.742 0.145 2.660 1.00 64.41 C ATOM 1330 CG LEU A 88 9.361 1.453 1.949 1.00 54.30 C ATOM 1331 CD1 LEU A 88 10.510 1.886 1.044 1.00 10.33 C ATOM 1332 CD2 LEU A 88 8.077 1.288 1.128 1.00 4.23 C ATOM 0 H LEU A 88 10.396 1.403 4.645 1.00 4.43 H new ATOM 0 HA LEU A 88 7.958 0.239 3.889 1.00 24.14 H new ATOM 0 HB2 LEU A 88 10.818 0.128 2.832 1.00 64.41 H new ATOM 0 HB3 LEU A 88 9.509 -0.700 2.012 1.00 64.41 H new ATOM 0 HG LEU A 88 9.176 2.217 2.704 1.00 54.30 H new ATOM 0 HD11 LEU A 88 10.244 2.814 0.537 1.00 10.33 H new ATOM 0 HD12 LEU A 88 11.406 2.044 1.644 1.00 10.33 H new ATOM 0 HD13 LEU A 88 10.702 1.110 0.303 1.00 10.33 H new ATOM 0 HD21 LEU A 88 7.835 2.231 0.638 1.00 4.23 H new ATOM 0 HD22 LEU A 88 8.224 0.514 0.374 1.00 4.23 H new ATOM 0 HD23 LEU A 88 7.258 1.001 1.787 1.00 4.23 H new ATOM 1344 N TYR A 89 10.265 -1.918 4.886 1.00 11.41 N ATOM 1345 CA TYR A 89 10.506 -3.308 5.245 1.00 41.51 C ATOM 1346 C TYR A 89 9.840 -3.686 6.558 1.00 15.52 C ATOM 1347 O TYR A 89 9.380 -4.816 6.687 1.00 73.11 O ATOM 1348 CB TYR A 89 12.009 -3.573 5.234 1.00 33.03 C ATOM 1349 CG TYR A 89 12.447 -4.202 3.927 1.00 2.12 C ATOM 1350 CD1 TYR A 89 11.829 -5.372 3.426 1.00 72.10 C ATOM 1351 CD2 TYR A 89 13.474 -3.593 3.190 1.00 42.23 C ATOM 1352 CE1 TYR A 89 12.270 -5.935 2.231 1.00 21.14 C ATOM 1353 CE2 TYR A 89 13.971 -4.209 2.033 1.00 65.02 C ATOM 1354 CZ TYR A 89 13.383 -5.400 1.569 1.00 64.03 C ATOM 1355 OH TYR A 89 13.901 -6.064 0.511 1.00 14.33 O ATOM 0 H TYR A 89 11.077 -1.313 5.011 1.00 11.41 H new ATOM 0 HA TYR A 89 10.042 -3.957 4.502 1.00 41.51 H new ATOM 0 HB2 TYR A 89 12.547 -2.637 5.388 1.00 33.03 H new ATOM 0 HB3 TYR A 89 12.271 -4.231 6.063 1.00 33.03 H new ATOM 0 HD1 TYR A 89 11.015 -5.828 3.970 1.00 72.10 H new ATOM 0 HD2 TYR A 89 13.883 -2.647 3.515 1.00 42.23 H new ATOM 0 HE1 TYR A 89 11.753 -6.786 1.813 1.00 21.14 H new ATOM 0 HE2 TYR A 89 14.802 -3.771 1.500 1.00 65.02 H new ATOM 0 HH TYR A 89 14.362 -6.870 0.824 1.00 14.33 H new ATOM 1365 N GLU A 90 9.691 -2.733 7.475 1.00 60.42 N ATOM 1366 CA GLU A 90 8.924 -2.885 8.696 1.00 15.23 C ATOM 1367 C GLU A 90 7.496 -3.313 8.315 1.00 52.51 C ATOM 1368 O GLU A 90 7.034 -4.399 8.666 1.00 51.13 O ATOM 1369 CB GLU A 90 9.001 -1.532 9.443 1.00 22.34 C ATOM 1370 CG GLU A 90 8.181 -1.411 10.729 1.00 3.34 C ATOM 1371 CD GLU A 90 8.664 -2.326 11.857 1.00 54.51 C ATOM 1372 OE1 GLU A 90 9.827 -2.236 12.312 1.00 51.22 O ATOM 1373 OE2 GLU A 90 7.834 -3.140 12.314 1.00 13.23 O ATOM 0 H GLU A 90 10.115 -1.810 7.381 1.00 60.42 H new ATOM 0 HA GLU A 90 9.308 -3.656 9.364 1.00 15.23 H new ATOM 0 HB2 GLU A 90 10.045 -1.336 9.685 1.00 22.34 H new ATOM 0 HB3 GLU A 90 8.680 -0.747 8.759 1.00 22.34 H new ATOM 0 HG2 GLU A 90 8.213 -0.377 11.073 1.00 3.34 H new ATOM 0 HG3 GLU A 90 7.139 -1.641 10.508 1.00 3.34 H new ATOM 1380 N LEU A 91 6.825 -2.496 7.501 1.00 64.03 N ATOM 1381 CA LEU A 91 5.467 -2.721 7.002 1.00 73.30 C ATOM 1382 C LEU A 91 5.342 -4.008 6.175 1.00 42.22 C ATOM 1383 O LEU A 91 4.250 -4.567 6.113 1.00 72.43 O ATOM 1384 CB LEU A 91 5.064 -1.502 6.157 1.00 60.24 C ATOM 1385 CG LEU A 91 5.033 -0.157 6.908 1.00 40.20 C ATOM 1386 CD1 LEU A 91 4.910 0.983 5.896 1.00 40.11 C ATOM 1387 CD2 LEU A 91 3.886 -0.054 7.904 1.00 4.54 C ATOM 0 H LEU A 91 7.229 -1.625 7.158 1.00 64.03 H new ATOM 0 HA LEU A 91 4.801 -2.845 7.856 1.00 73.30 H new ATOM 0 HB2 LEU A 91 5.758 -1.416 5.321 1.00 60.24 H new ATOM 0 HB3 LEU A 91 4.076 -1.685 5.734 1.00 60.24 H new ATOM 0 HG LEU A 91 5.962 -0.089 7.473 1.00 40.20 H new ATOM 0 HD11 LEU A 91 4.888 1.937 6.423 1.00 40.11 H new ATOM 0 HD12 LEU A 91 5.764 0.962 5.219 1.00 40.11 H new ATOM 0 HD13 LEU A 91 3.990 0.863 5.323 1.00 40.11 H new ATOM 0 HD21 LEU A 91 3.920 0.916 8.399 1.00 4.54 H new ATOM 0 HD22 LEU A 91 2.937 -0.160 7.378 1.00 4.54 H new ATOM 0 HD23 LEU A 91 3.978 -0.845 8.648 1.00 4.54 H new ATOM 1399 N ALA A 92 6.427 -4.495 5.557 1.00 1.52 N ATOM 1400 CA ALA A 92 6.446 -5.761 4.828 1.00 2.44 C ATOM 1401 C ALA A 92 6.107 -6.922 5.776 1.00 42.34 C ATOM 1402 O ALA A 92 5.205 -7.694 5.461 1.00 43.43 O ATOM 1403 CB ALA A 92 7.787 -5.953 4.110 1.00 10.21 C ATOM 0 H ALA A 92 7.325 -4.011 5.552 1.00 1.52 H new ATOM 0 HA ALA A 92 5.679 -5.744 4.053 1.00 2.44 H new ATOM 0 HB1 ALA A 92 7.780 -6.902 3.573 1.00 10.21 H new ATOM 0 HB2 ALA A 92 7.941 -5.138 3.403 1.00 10.21 H new ATOM 0 HB3 ALA A 92 8.595 -5.956 4.842 1.00 10.21 H new ATOM 1409 N THR A 93 6.789 -7.042 6.925 1.00 55.34 N ATOM 1410 CA THR A 93 6.539 -8.144 7.871 1.00 42.44 C ATOM 1411 C THR A 93 5.273 -7.877 8.688 1.00 74.41 C ATOM 1412 O THR A 93 4.478 -8.784 8.951 1.00 35.21 O ATOM 1413 CB THR A 93 7.774 -8.453 8.757 1.00 2.32 C ATOM 1414 OG1 THR A 93 7.446 -9.259 9.869 1.00 63.01 O ATOM 1415 CG2 THR A 93 8.471 -7.208 9.305 1.00 53.12 C ATOM 0 H THR A 93 7.517 -6.392 7.223 1.00 55.34 H new ATOM 0 HA THR A 93 6.365 -9.050 7.291 1.00 42.44 H new ATOM 0 HB THR A 93 8.449 -8.975 8.079 1.00 2.32 H new ATOM 0 HG1 THR A 93 8.253 -9.430 10.398 1.00 63.01 H new ATOM 0 HG21 THR A 93 9.324 -7.507 9.914 1.00 53.12 H new ATOM 0 HG22 THR A 93 8.816 -6.590 8.476 1.00 53.12 H new ATOM 0 HG23 THR A 93 7.771 -6.638 9.916 1.00 53.12 H new ATOM 1423 N ARG A 94 5.033 -6.618 9.056 1.00 12.22 N ATOM 1424 CA ARG A 94 3.896 -6.212 9.880 1.00 44.11 C ATOM 1425 C ARG A 94 2.567 -6.427 9.181 1.00 72.24 C ATOM 1426 O ARG A 94 1.537 -6.344 9.851 1.00 41.14 O ATOM 1427 CB ARG A 94 4.070 -4.746 10.244 1.00 0.55 C ATOM 1428 CG ARG A 94 5.272 -4.491 11.134 1.00 40.33 C ATOM 1429 CD ARG A 94 4.902 -4.524 12.603 1.00 43.30 C ATOM 1430 NE ARG A 94 3.932 -3.489 13.002 1.00 51.00 N ATOM 1431 CZ ARG A 94 4.236 -2.211 13.271 1.00 53.43 C ATOM 1432 NH1 ARG A 94 5.485 -1.758 13.155 1.00 42.24 N ATOM 1433 NH2 ARG A 94 3.270 -1.375 13.642 1.00 62.40 N ATOM 0 H ARG A 94 5.634 -5.839 8.785 1.00 12.22 H new ATOM 0 HA ARG A 94 3.878 -6.833 10.775 1.00 44.11 H new ATOM 0 HB2 ARG A 94 4.172 -4.161 9.330 1.00 0.55 H new ATOM 0 HB3 ARG A 94 3.170 -4.394 10.749 1.00 0.55 H new ATOM 0 HG2 ARG A 94 6.037 -5.241 10.935 1.00 40.33 H new ATOM 0 HG3 ARG A 94 5.706 -3.521 10.890 1.00 40.33 H new ATOM 0 HD2 ARG A 94 4.490 -5.504 12.841 1.00 43.30 H new ATOM 0 HD3 ARG A 94 5.808 -4.406 13.198 1.00 43.30 H new ATOM 0 HE ARG A 94 2.953 -3.766 13.080 1.00 51.00 H new ATOM 0 HH11 ARG A 94 6.230 -2.387 12.857 1.00 42.24 H new ATOM 0 HH12 ARG A 94 5.695 -0.782 13.364 1.00 42.24 H new ATOM 0 HH21 ARG A 94 2.309 -1.708 13.720 1.00 62.40 H new ATOM 0 HH22 ARG A 94 3.490 -0.401 13.849 1.00 62.40 H new ATOM 1447 N LYS A 95 2.580 -6.685 7.867 1.00 75.41 N ATOM 1448 CA LYS A 95 1.418 -6.612 6.999 1.00 4.24 C ATOM 1449 C LYS A 95 0.209 -7.273 7.634 1.00 31.21 C ATOM 1450 O LYS A 95 -0.855 -6.671 7.602 1.00 62.01 O ATOM 1451 CB LYS A 95 1.726 -7.273 5.648 1.00 14.55 C ATOM 1452 CG LYS A 95 0.478 -7.529 4.768 1.00 44.51 C ATOM 1453 CD LYS A 95 0.884 -7.938 3.349 1.00 43.13 C ATOM 1454 CE LYS A 95 0.307 -9.263 2.833 1.00 64.01 C ATOM 1455 NZ LYS A 95 -1.149 -9.253 2.567 1.00 10.44 N ATOM 0 H LYS A 95 3.429 -6.958 7.372 1.00 75.41 H new ATOM 0 HA LYS A 95 1.184 -5.559 6.842 1.00 4.24 H new ATOM 0 HB2 LYS A 95 2.422 -6.640 5.097 1.00 14.55 H new ATOM 0 HB3 LYS A 95 2.231 -8.222 5.827 1.00 14.55 H new ATOM 0 HG2 LYS A 95 -0.133 -8.313 5.216 1.00 44.51 H new ATOM 0 HG3 LYS A 95 -0.136 -6.629 4.730 1.00 44.51 H new ATOM 0 HD2 LYS A 95 0.584 -7.144 2.665 1.00 43.13 H new ATOM 0 HD3 LYS A 95 1.972 -7.999 3.308 1.00 43.13 H new ATOM 0 HE2 LYS A 95 0.827 -9.534 1.914 1.00 64.01 H new ATOM 0 HE3 LYS A 95 0.522 -10.044 3.563 1.00 64.01 H new ATOM 0 HZ1 LYS A 95 -1.380 -9.992 1.872 1.00 10.44 H new ATOM 0 HZ2 LYS A 95 -1.665 -9.436 3.451 1.00 10.44 H new ATOM 0 HZ3 LYS A 95 -1.427 -8.324 2.190 1.00 10.44 H new ATOM 1469 N ASP A 96 0.367 -8.480 8.174 1.00 2.14 N ATOM 1470 CA ASP A 96 -0.718 -9.290 8.720 1.00 31.01 C ATOM 1471 C ASP A 96 -1.593 -8.507 9.702 1.00 44.10 C ATOM 1472 O ASP A 96 -2.819 -8.484 9.581 1.00 11.23 O ATOM 1473 CB ASP A 96 -0.135 -10.519 9.427 1.00 40.14 C ATOM 1474 CG ASP A 96 -1.269 -11.307 10.074 1.00 14.42 C ATOM 1475 OD1 ASP A 96 -2.080 -11.853 9.294 1.00 15.51 O ATOM 1476 OD2 ASP A 96 -1.372 -11.304 11.323 1.00 3.41 O ATOM 0 H ASP A 96 1.278 -8.933 8.245 1.00 2.14 H new ATOM 0 HA ASP A 96 -1.350 -9.593 7.885 1.00 31.01 H new ATOM 0 HB2 ASP A 96 0.399 -11.146 8.713 1.00 40.14 H new ATOM 0 HB3 ASP A 96 0.588 -10.211 10.183 1.00 40.14 H new ATOM 1481 N GLN A 97 -0.952 -7.858 10.675 1.00 51.01 N ATOM 1482 CA GLN A 97 -1.631 -7.136 11.731 1.00 40.42 C ATOM 1483 C GLN A 97 -2.239 -5.868 11.136 1.00 2.33 C ATOM 1484 O GLN A 97 -3.427 -5.618 11.311 1.00 34.11 O ATOM 1485 CB GLN A 97 -0.620 -6.878 12.858 1.00 40.40 C ATOM 1486 CG GLN A 97 -1.193 -6.080 14.039 1.00 21.52 C ATOM 1487 CD GLN A 97 -1.088 -4.574 13.822 1.00 0.21 C ATOM 1488 OE1 GLN A 97 0.016 -4.043 13.698 1.00 12.12 O ATOM 1489 NE2 GLN A 97 -2.216 -3.890 13.722 1.00 40.13 N ATOM 0 H GLN A 97 0.065 -7.824 10.745 1.00 51.01 H new ATOM 0 HA GLN A 97 -2.455 -7.701 12.166 1.00 40.42 H new ATOM 0 HB2 GLN A 97 -0.248 -7.835 13.225 1.00 40.40 H new ATOM 0 HB3 GLN A 97 0.235 -6.339 12.449 1.00 40.40 H new ATOM 0 HG2 GLN A 97 -2.238 -6.352 14.186 1.00 21.52 H new ATOM 0 HG3 GLN A 97 -0.661 -6.352 14.951 1.00 21.52 H new ATOM 0 HE21 GLN A 97 -3.112 -4.365 13.831 1.00 40.13 H new ATOM 0 HE22 GLN A 97 -2.190 -2.887 13.536 1.00 40.13 H new ATOM 1498 N LEU A 98 -1.426 -5.091 10.414 1.00 35.05 N ATOM 1499 CA LEU A 98 -1.804 -3.792 9.855 1.00 73.21 C ATOM 1500 C LEU A 98 -2.983 -3.940 8.896 1.00 0.51 C ATOM 1501 O LEU A 98 -3.840 -3.067 8.797 1.00 20.33 O ATOM 1502 CB LEU A 98 -0.623 -3.194 9.064 1.00 73.31 C ATOM 1503 CG LEU A 98 0.692 -3.090 9.844 1.00 63.24 C ATOM 1504 CD1 LEU A 98 1.818 -2.610 8.926 1.00 55.12 C ATOM 1505 CD2 LEU A 98 0.628 -2.168 11.046 1.00 4.43 C ATOM 0 H LEU A 98 -0.465 -5.355 10.198 1.00 35.05 H new ATOM 0 HA LEU A 98 -2.079 -3.140 10.684 1.00 73.21 H new ATOM 0 HB2 LEU A 98 -0.454 -3.803 8.176 1.00 73.31 H new ATOM 0 HB3 LEU A 98 -0.903 -2.199 8.719 1.00 73.31 H new ATOM 0 HG LEU A 98 0.886 -4.096 10.216 1.00 63.24 H new ATOM 0 HD11 LEU A 98 2.746 -2.541 9.494 1.00 55.12 H new ATOM 0 HD12 LEU A 98 1.946 -3.317 8.107 1.00 55.12 H new ATOM 0 HD13 LEU A 98 1.566 -1.629 8.523 1.00 55.12 H new ATOM 0 HD21 LEU A 98 1.598 -2.150 11.543 1.00 4.43 H new ATOM 0 HD22 LEU A 98 0.369 -1.161 10.719 1.00 4.43 H new ATOM 0 HD23 LEU A 98 -0.129 -2.529 11.742 1.00 4.43 H new ATOM 1517 N TRP A 99 -3.004 -5.025 8.127 1.00 62.20 N ATOM 1518 CA TRP A 99 -4.016 -5.259 7.123 1.00 12.13 C ATOM 1519 C TRP A 99 -5.344 -5.600 7.775 1.00 12.25 C ATOM 1520 O TRP A 99 -6.369 -5.054 7.373 1.00 73.13 O ATOM 1521 CB TRP A 99 -3.552 -6.360 6.169 1.00 3.13 C ATOM 1522 CG TRP A 99 -4.452 -6.571 5.003 1.00 54.44 C ATOM 1523 CD1 TRP A 99 -5.059 -7.729 4.667 1.00 14.53 C ATOM 1524 CD2 TRP A 99 -4.935 -5.568 4.065 1.00 63.40 C ATOM 1525 NE1 TRP A 99 -5.811 -7.534 3.525 1.00 34.25 N ATOM 1526 CE2 TRP A 99 -5.842 -6.199 3.164 1.00 31.23 C ATOM 1527 CE3 TRP A 99 -4.724 -4.178 3.922 1.00 64.43 C ATOM 1528 CZ2 TRP A 99 -6.543 -5.465 2.195 1.00 71.20 C ATOM 1529 CZ3 TRP A 99 -5.439 -3.432 2.975 1.00 13.55 C ATOM 1530 CH2 TRP A 99 -6.361 -4.073 2.138 1.00 73.00 C ATOM 0 H TRP A 99 -2.309 -5.769 8.190 1.00 62.20 H new ATOM 0 HA TRP A 99 -4.166 -4.349 6.541 1.00 12.13 H new ATOM 0 HB2 TRP A 99 -2.554 -6.114 5.805 1.00 3.13 H new ATOM 0 HB3 TRP A 99 -3.468 -7.295 6.723 1.00 3.13 H new ATOM 0 HD1 TRP A 99 -4.971 -8.661 5.206 1.00 14.53 H new ATOM 0 HE1 TRP A 99 -6.283 -8.279 3.013 1.00 34.25 H new ATOM 0 HE3 TRP A 99 -4.000 -3.683 4.552 1.00 64.43 H new ATOM 0 HZ2 TRP A 99 -7.210 -5.961 1.506 1.00 71.20 H new ATOM 0 HZ3 TRP A 99 -5.280 -2.367 2.891 1.00 13.55 H new ATOM 0 HH2 TRP A 99 -6.941 -3.489 1.439 1.00 73.00 H new ATOM 1541 N ALA A 100 -5.331 -6.479 8.779 1.00 60.40 N ATOM 1542 CA ALA A 100 -6.520 -6.791 9.550 1.00 32.31 C ATOM 1543 C ALA A 100 -7.057 -5.527 10.231 1.00 2.03 C ATOM 1544 O ALA A 100 -8.260 -5.302 10.263 1.00 42.21 O ATOM 1545 CB ALA A 100 -6.153 -7.816 10.620 1.00 52.33 C ATOM 0 H ALA A 100 -4.498 -6.988 9.074 1.00 60.40 H new ATOM 0 HA ALA A 100 -7.287 -7.189 8.886 1.00 32.31 H new ATOM 0 HB1 ALA A 100 -7.038 -8.061 11.208 1.00 52.33 H new ATOM 0 HB2 ALA A 100 -5.773 -8.720 10.143 1.00 52.33 H new ATOM 0 HB3 ALA A 100 -5.386 -7.401 11.274 1.00 52.33 H new ATOM 1551 N ASP A 101 -6.160 -4.701 10.765 1.00 43.13 N ATOM 1552 CA ASP A 101 -6.475 -3.470 11.485 1.00 42.11 C ATOM 1553 C ASP A 101 -7.153 -2.446 10.560 1.00 74.50 C ATOM 1554 O ASP A 101 -8.177 -1.859 10.913 1.00 54.11 O ATOM 1555 CB ASP A 101 -5.159 -2.978 12.093 1.00 53.40 C ATOM 1556 CG ASP A 101 -5.288 -1.800 13.046 1.00 63.10 C ATOM 1557 OD1 ASP A 101 -5.504 -0.665 12.575 1.00 73.33 O ATOM 1558 OD2 ASP A 101 -5.011 -1.968 14.258 1.00 14.23 O ATOM 0 H ASP A 101 -5.157 -4.877 10.706 1.00 43.13 H new ATOM 0 HA ASP A 101 -7.200 -3.635 12.282 1.00 42.11 H new ATOM 0 HB2 ASP A 101 -4.691 -3.806 12.625 1.00 53.40 H new ATOM 0 HB3 ASP A 101 -4.485 -2.698 11.283 1.00 53.40 H new ATOM 1563 N TYR A 102 -6.663 -2.306 9.322 1.00 35.02 N ATOM 1564 CA TYR A 102 -7.315 -1.511 8.284 1.00 12.35 C ATOM 1565 C TYR A 102 -8.631 -2.132 7.794 1.00 23.31 C ATOM 1566 O TYR A 102 -9.527 -1.401 7.363 1.00 1.21 O ATOM 1567 CB TYR A 102 -6.361 -1.318 7.092 1.00 21.14 C ATOM 1568 CG TYR A 102 -5.556 -0.033 7.134 1.00 51.40 C ATOM 1569 CD1 TYR A 102 -6.223 1.207 7.088 1.00 73.00 C ATOM 1570 CD2 TYR A 102 -4.151 -0.064 7.217 1.00 44.33 C ATOM 1571 CE1 TYR A 102 -5.496 2.407 7.144 1.00 31.32 C ATOM 1572 CE2 TYR A 102 -3.418 1.136 7.270 1.00 61.31 C ATOM 1573 CZ TYR A 102 -4.089 2.376 7.248 1.00 0.12 C ATOM 1574 OH TYR A 102 -3.381 3.534 7.336 1.00 41.34 O ATOM 0 H TYR A 102 -5.796 -2.746 9.014 1.00 35.02 H new ATOM 0 HA TYR A 102 -7.560 -0.548 8.732 1.00 12.35 H new ATOM 0 HB2 TYR A 102 -5.673 -2.162 7.053 1.00 21.14 H new ATOM 0 HB3 TYR A 102 -6.942 -1.338 6.170 1.00 21.14 H new ATOM 0 HD1 TYR A 102 -7.300 1.235 7.009 1.00 73.00 H new ATOM 0 HD2 TYR A 102 -3.634 -1.012 7.240 1.00 44.33 H new ATOM 0 HE1 TYR A 102 -6.014 3.354 7.107 1.00 31.32 H new ATOM 0 HE2 TYR A 102 -2.340 1.107 7.328 1.00 61.31 H new ATOM 0 HH TYR A 102 -3.131 3.833 6.437 1.00 41.34 H new ATOM 1584 N LEU A 103 -8.754 -3.464 7.791 1.00 2.22 N ATOM 1585 CA LEU A 103 -10.004 -4.142 7.449 1.00 71.42 C ATOM 1586 C LEU A 103 -11.057 -3.847 8.503 1.00 20.23 C ATOM 1587 O LEU A 103 -12.206 -3.629 8.116 1.00 31.10 O ATOM 1588 CB LEU A 103 -9.839 -5.670 7.340 1.00 14.52 C ATOM 1589 CG LEU A 103 -9.516 -6.262 5.952 1.00 34.04 C ATOM 1590 CD1 LEU A 103 -8.880 -5.312 4.927 1.00 3.43 C ATOM 1591 CD2 LEU A 103 -8.612 -7.488 6.111 1.00 60.01 C ATOM 0 H LEU A 103 -7.991 -4.099 8.025 1.00 2.22 H new ATOM 0 HA LEU A 103 -10.309 -3.762 6.474 1.00 71.42 H new ATOM 0 HB2 LEU A 103 -9.046 -5.971 8.025 1.00 14.52 H new ATOM 0 HB3 LEU A 103 -10.760 -6.132 7.695 1.00 14.52 H new ATOM 0 HG LEU A 103 -10.494 -6.510 5.539 1.00 34.04 H new ATOM 0 HD11 LEU A 103 -8.703 -5.848 3.995 1.00 3.43 H new ATOM 0 HD12 LEU A 103 -9.552 -4.474 4.741 1.00 3.43 H new ATOM 0 HD13 LEU A 103 -7.933 -4.938 5.316 1.00 3.43 H new ATOM 0 HD21 LEU A 103 -8.386 -7.903 5.129 1.00 60.01 H new ATOM 0 HD22 LEU A 103 -7.685 -7.195 6.603 1.00 60.01 H new ATOM 0 HD23 LEU A 103 -9.121 -8.240 6.714 1.00 60.01 H new ATOM 1603 N ALA A 104 -10.679 -3.875 9.785 1.00 53.03 N ATOM 1604 CA ALA A 104 -11.548 -3.564 10.905 1.00 21.13 C ATOM 1605 C ALA A 104 -12.078 -2.149 10.728 1.00 12.43 C ATOM 1606 O ALA A 104 -13.285 -1.984 10.621 1.00 71.32 O ATOM 1607 CB ALA A 104 -10.805 -3.744 12.234 1.00 35.54 C ATOM 0 H ALA A 104 -9.732 -4.123 10.071 1.00 53.03 H new ATOM 0 HA ALA A 104 -12.393 -4.252 10.929 1.00 21.13 H new ATOM 0 HB1 ALA A 104 -11.475 -3.506 13.060 1.00 35.54 H new ATOM 0 HB2 ALA A 104 -10.469 -4.777 12.326 1.00 35.54 H new ATOM 0 HB3 ALA A 104 -9.943 -3.078 12.262 1.00 35.54 H new ATOM 1613 N GLU A 105 -11.198 -1.152 10.590 1.00 43.14 N ATOM 1614 CA GLU A 105 -11.609 0.235 10.376 1.00 43.40 C ATOM 1615 C GLU A 105 -12.584 0.344 9.203 1.00 32.13 C ATOM 1616 O GLU A 105 -13.617 0.993 9.333 1.00 3.02 O ATOM 1617 CB GLU A 105 -10.376 1.124 10.137 1.00 35.51 C ATOM 1618 CG GLU A 105 -9.948 1.921 11.375 1.00 23.14 C ATOM 1619 CD GLU A 105 -10.200 3.422 11.225 1.00 11.34 C ATOM 1620 OE1 GLU A 105 -11.287 3.928 11.600 1.00 63.34 O ATOM 1621 OE2 GLU A 105 -9.281 4.131 10.763 1.00 11.12 O ATOM 0 H GLU A 105 -10.187 -1.285 10.624 1.00 43.14 H new ATOM 0 HA GLU A 105 -12.123 0.581 11.273 1.00 43.40 H new ATOM 0 HB2 GLU A 105 -9.545 0.499 9.812 1.00 35.51 H new ATOM 0 HB3 GLU A 105 -10.590 1.818 9.324 1.00 35.51 H new ATOM 0 HG2 GLU A 105 -10.489 1.551 12.246 1.00 23.14 H new ATOM 0 HG3 GLU A 105 -8.888 1.751 11.563 1.00 23.14 H new ATOM 1628 N LEU A 106 -12.296 -0.309 8.069 1.00 33.34 N ATOM 1629 CA LEU A 106 -13.225 -0.327 6.936 1.00 55.50 C ATOM 1630 C LEU A 106 -14.587 -0.878 7.339 1.00 55.14 C ATOM 1631 O LEU A 106 -15.601 -0.246 7.047 1.00 44.35 O ATOM 1632 CB LEU A 106 -12.660 -1.117 5.721 1.00 40.13 C ATOM 1633 CG LEU A 106 -12.280 -0.240 4.510 1.00 31.43 C ATOM 1634 CD1 LEU A 106 -13.410 0.714 4.180 1.00 44.11 C ATOM 1635 CD2 LEU A 106 -10.968 0.507 4.761 1.00 64.04 C ATOM 0 H LEU A 106 -11.432 -0.828 7.914 1.00 33.34 H new ATOM 0 HA LEU A 106 -13.350 0.710 6.625 1.00 55.50 H new ATOM 0 HB2 LEU A 106 -11.779 -1.672 6.042 1.00 40.13 H new ATOM 0 HB3 LEU A 106 -13.401 -1.851 5.404 1.00 40.13 H new ATOM 0 HG LEU A 106 -12.121 -0.888 3.648 1.00 31.43 H new ATOM 0 HD11 LEU A 106 -13.130 1.328 3.324 1.00 44.11 H new ATOM 0 HD12 LEU A 106 -14.308 0.145 3.940 1.00 44.11 H new ATOM 0 HD13 LEU A 106 -13.606 1.357 5.038 1.00 44.11 H new ATOM 0 HD21 LEU A 106 -10.725 1.117 3.891 1.00 64.04 H new ATOM 0 HD22 LEU A 106 -11.076 1.149 5.636 1.00 64.04 H new ATOM 0 HD23 LEU A 106 -10.168 -0.212 4.935 1.00 64.04 H new ATOM 1647 N ALA A 107 -14.589 -2.042 7.990 1.00 72.25 N ATOM 1648 CA ALA A 107 -15.778 -2.755 8.414 1.00 22.51 C ATOM 1649 C ALA A 107 -16.675 -1.821 9.212 1.00 53.12 C ATOM 1650 O ALA A 107 -17.822 -1.573 8.834 1.00 63.34 O ATOM 1651 CB ALA A 107 -15.378 -3.974 9.262 1.00 33.32 C ATOM 0 H ALA A 107 -13.727 -2.526 8.242 1.00 72.25 H new ATOM 0 HA ALA A 107 -16.326 -3.105 7.539 1.00 22.51 H new ATOM 0 HB1 ALA A 107 -16.275 -4.507 9.579 1.00 33.32 H new ATOM 0 HB2 ALA A 107 -14.751 -4.640 8.669 1.00 33.32 H new ATOM 0 HB3 ALA A 107 -14.825 -3.641 10.140 1.00 33.32 H new ATOM 1657 N SER A 108 -16.137 -1.321 10.319 1.00 71.35 N ATOM 1658 CA SER A 108 -16.875 -0.560 11.289 1.00 71.41 C ATOM 1659 C SER A 108 -17.342 0.768 10.681 1.00 42.01 C ATOM 1660 O SER A 108 -18.505 1.144 10.842 1.00 72.43 O ATOM 1661 CB SER A 108 -15.997 -0.356 12.524 1.00 42.11 C ATOM 1662 OG SER A 108 -15.041 -1.367 12.812 1.00 3.42 O ATOM 0 H SER A 108 -15.154 -1.443 10.561 1.00 71.35 H new ATOM 0 HA SER A 108 -17.773 -1.099 11.591 1.00 71.41 H new ATOM 0 HB2 SER A 108 -15.466 0.589 12.409 1.00 42.11 H new ATOM 0 HB3 SER A 108 -16.650 -0.251 13.390 1.00 42.11 H new ATOM 0 HG SER A 108 -14.542 -1.125 13.620 1.00 3.42 H new ATOM 1668 N ALA A 109 -16.471 1.452 9.923 1.00 2.01 N ATOM 1669 CA ALA A 109 -16.706 2.810 9.431 1.00 73.53 C ATOM 1670 C ALA A 109 -17.879 2.917 8.446 1.00 63.54 C ATOM 1671 O ALA A 109 -18.235 4.037 8.076 1.00 22.24 O ATOM 1672 CB ALA A 109 -15.434 3.349 8.757 1.00 21.23 C ATOM 0 H ALA A 109 -15.572 1.068 9.633 1.00 2.01 H new ATOM 0 HA ALA A 109 -16.969 3.406 10.305 1.00 73.53 H new ATOM 0 HB1 ALA A 109 -15.616 4.360 8.393 1.00 21.23 H new ATOM 0 HB2 ALA A 109 -14.618 3.365 9.480 1.00 21.23 H new ATOM 0 HB3 ALA A 109 -15.165 2.705 7.920 1.00 21.23 H new ATOM 1678 N GLY A 110 -18.477 1.815 7.987 1.00 2.33 N ATOM 1679 CA GLY A 110 -19.590 1.894 7.047 1.00 72.01 C ATOM 1680 C GLY A 110 -19.129 2.068 5.610 1.00 42.51 C ATOM 1681 O GLY A 110 -19.897 2.554 4.775 1.00 61.25 O ATOM 0 H GLY A 110 -18.210 0.866 8.250 1.00 2.33 H new ATOM 0 HA2 GLY A 110 -20.191 0.988 7.125 1.00 72.01 H new ATOM 0 HA3 GLY A 110 -20.234 2.729 7.322 1.00 72.01 H new ATOM 1685 N LYS A 111 -17.874 1.721 5.308 1.00 73.34 N ATOM 1686 CA LYS A 111 -17.355 1.804 3.957 1.00 51.45 C ATOM 1687 C LYS A 111 -16.863 0.429 3.560 1.00 34.22 C ATOM 1688 O LYS A 111 -16.743 -0.497 4.366 1.00 35.30 O ATOM 1689 CB LYS A 111 -16.217 2.829 3.868 1.00 63.14 C ATOM 1690 CG LYS A 111 -16.503 4.230 4.424 1.00 3.45 C ATOM 1691 CD LYS A 111 -17.458 4.981 3.497 1.00 41.14 C ATOM 1692 CE LYS A 111 -17.524 6.456 3.885 1.00 22.22 C ATOM 1693 NZ LYS A 111 -18.134 7.246 2.803 1.00 43.13 N ATOM 0 H LYS A 111 -17.201 1.378 5.994 1.00 73.34 H new ATOM 0 HA LYS A 111 -18.141 2.134 3.278 1.00 51.45 H new ATOM 0 HB2 LYS A 111 -15.353 2.424 4.395 1.00 63.14 H new ATOM 0 HB3 LYS A 111 -15.932 2.931 2.821 1.00 63.14 H new ATOM 0 HG2 LYS A 111 -16.938 4.152 5.420 1.00 3.45 H new ATOM 0 HG3 LYS A 111 -15.571 4.786 4.526 1.00 3.45 H new ATOM 0 HD2 LYS A 111 -17.124 4.884 2.464 1.00 41.14 H new ATOM 0 HD3 LYS A 111 -18.453 4.539 3.553 1.00 41.14 H new ATOM 0 HE2 LYS A 111 -18.105 6.572 4.800 1.00 22.22 H new ATOM 0 HE3 LYS A 111 -16.521 6.828 4.095 1.00 22.22 H new ATOM 0 HZ1 LYS A 111 -18.481 8.149 3.185 1.00 43.13 H new ATOM 0 HZ2 LYS A 111 -17.424 7.432 2.066 1.00 43.13 H new ATOM 0 HZ3 LYS A 111 -18.929 6.716 2.392 1.00 43.13 H new ATOM 1707 N SER A 112 -16.425 0.354 2.319 1.00 32.44 N ATOM 1708 CA SER A 112 -15.868 -0.848 1.757 1.00 2.50 C ATOM 1709 C SER A 112 -14.648 -0.491 0.930 1.00 33.01 C ATOM 1710 O SER A 112 -14.367 0.674 0.630 1.00 43.51 O ATOM 1711 CB SER A 112 -16.976 -1.489 0.946 1.00 11.43 C ATOM 1712 OG SER A 112 -18.034 -1.871 1.800 1.00 63.04 O ATOM 0 H SER A 112 -16.449 1.140 1.669 1.00 32.44 H new ATOM 0 HA SER A 112 -15.525 -1.556 2.511 1.00 2.50 H new ATOM 0 HB2 SER A 112 -17.339 -0.790 0.193 1.00 11.43 H new ATOM 0 HB3 SER A 112 -16.593 -2.360 0.414 1.00 11.43 H new ATOM 0 HG SER A 112 -18.333 -2.774 1.566 1.00 63.04 H new ATOM 1718 N ARG A 113 -13.871 -1.501 0.571 1.00 45.14 N ATOM 1719 CA ARG A 113 -12.751 -1.306 -0.326 1.00 44.52 C ATOM 1720 C ARG A 113 -13.236 -1.160 -1.766 1.00 10.45 C ATOM 1721 O ARG A 113 -12.447 -0.704 -2.585 1.00 73.21 O ATOM 1722 CB ARG A 113 -11.814 -2.501 -0.196 1.00 21.43 C ATOM 1723 CG ARG A 113 -11.316 -2.771 1.219 1.00 23.11 C ATOM 1724 CD ARG A 113 -10.262 -3.879 1.110 1.00 45.54 C ATOM 1725 NE ARG A 113 -10.619 -5.094 1.829 1.00 5.43 N ATOM 1726 CZ ARG A 113 -11.627 -5.941 1.584 1.00 11.34 C ATOM 1727 NH1 ARG A 113 -12.590 -5.652 0.722 1.00 43.21 N ATOM 1728 NH2 ARG A 113 -11.677 -7.110 2.203 1.00 50.11 N ATOM 0 H ARG A 113 -13.998 -2.462 0.889 1.00 45.14 H new ATOM 0 HA ARG A 113 -12.221 -0.391 -0.061 1.00 44.52 H new ATOM 0 HB2 ARG A 113 -12.329 -3.390 -0.561 1.00 21.43 H new ATOM 0 HB3 ARG A 113 -10.953 -2.342 -0.845 1.00 21.43 H new ATOM 0 HG2 ARG A 113 -10.887 -1.870 1.657 1.00 23.11 H new ATOM 0 HG3 ARG A 113 -12.137 -3.080 1.866 1.00 23.11 H new ATOM 0 HD2 ARG A 113 -10.108 -4.121 0.058 1.00 45.54 H new ATOM 0 HD3 ARG A 113 -9.313 -3.505 1.493 1.00 45.54 H new ATOM 0 HE ARG A 113 -10.024 -5.331 2.623 1.00 5.43 H new ATOM 0 HH11 ARG A 113 -12.577 -4.763 0.223 1.00 43.21 H new ATOM 0 HH12 ARG A 113 -13.344 -6.319 0.558 1.00 43.21 H new ATOM 0 HH21 ARG A 113 -10.947 -7.367 2.868 1.00 50.11 H new ATOM 0 HH22 ARG A 113 -12.445 -7.754 2.015 1.00 50.11 H new ATOM 1742 N ASP A 114 -14.463 -1.552 -2.096 1.00 32.40 N ATOM 1743 CA ASP A 114 -15.033 -1.306 -3.424 1.00 2.41 C ATOM 1744 C ASP A 114 -15.221 0.204 -3.601 1.00 13.43 C ATOM 1745 O ASP A 114 -15.386 0.918 -2.608 1.00 65.42 O ATOM 1746 CB ASP A 114 -16.414 -1.947 -3.543 1.00 12.31 C ATOM 1747 CG ASP A 114 -16.374 -3.459 -3.711 1.00 34.20 C ATOM 1748 OD1 ASP A 114 -16.072 -4.151 -2.713 1.00 31.02 O ATOM 1749 OD2 ASP A 114 -16.646 -3.943 -4.838 1.00 71.34 O ATOM 0 H ASP A 114 -15.089 -2.045 -1.459 1.00 32.40 H new ATOM 0 HA ASP A 114 -14.362 -1.725 -4.174 1.00 2.41 H new ATOM 0 HB2 ASP A 114 -16.995 -1.704 -2.653 1.00 12.31 H new ATOM 0 HB3 ASP A 114 -16.936 -1.509 -4.394 1.00 12.31 H new ATOM 1754 N PRO A 115 -15.254 0.708 -4.840 1.00 72.43 N ATOM 1755 CA PRO A 115 -15.412 2.128 -5.128 1.00 41.40 C ATOM 1756 C PRO A 115 -16.861 2.616 -5.109 1.00 64.11 C ATOM 1757 O PRO A 115 -17.102 3.828 -5.062 1.00 44.22 O ATOM 1758 CB PRO A 115 -14.816 2.282 -6.526 1.00 14.42 C ATOM 1759 CG PRO A 115 -15.129 0.946 -7.195 1.00 21.04 C ATOM 1760 CD PRO A 115 -15.003 -0.049 -6.054 1.00 51.52 C ATOM 0 HA PRO A 115 -14.924 2.730 -4.362 1.00 41.40 H new ATOM 0 HB2 PRO A 115 -15.266 3.116 -7.065 1.00 14.42 H new ATOM 0 HB3 PRO A 115 -13.743 2.470 -6.487 1.00 14.42 H new ATOM 0 HG2 PRO A 115 -16.129 0.937 -7.629 1.00 21.04 H new ATOM 0 HG3 PRO A 115 -14.430 0.725 -8.001 1.00 21.04 H new ATOM 0 HD2 PRO A 115 -15.721 -0.862 -6.163 1.00 51.52 H new ATOM 0 HD3 PRO A 115 -14.011 -0.500 -6.036 1.00 51.52 H new ATOM 1768 N ASP A 116 -17.826 1.702 -5.170 1.00 5.12 N ATOM 1769 CA ASP A 116 -19.231 2.033 -4.967 1.00 5.50 C ATOM 1770 C ASP A 116 -20.008 0.818 -4.457 1.00 70.03 C ATOM 1771 O ASP A 116 -20.794 0.213 -5.182 1.00 34.20 O ATOM 1772 CB ASP A 116 -19.844 2.612 -6.249 1.00 23.20 C ATOM 1773 CG ASP A 116 -21.117 3.399 -5.955 1.00 1.41 C ATOM 1774 OD1 ASP A 116 -21.578 3.443 -4.789 1.00 54.22 O ATOM 1775 OD2 ASP A 116 -21.592 4.083 -6.887 1.00 70.22 O ATOM 0 H ASP A 116 -17.655 0.715 -5.361 1.00 5.12 H new ATOM 0 HA ASP A 116 -19.299 2.804 -4.199 1.00 5.50 H new ATOM 0 HB2 ASP A 116 -19.119 3.262 -6.739 1.00 23.20 H new ATOM 0 HB3 ASP A 116 -20.068 1.803 -6.944 1.00 23.20 H new ATOM 1780 N GLU A 117 -19.709 0.399 -3.228 1.00 61.01 N ATOM 1781 CA GLU A 117 -20.260 -0.840 -2.657 1.00 2.32 C ATOM 1782 C GLU A 117 -21.753 -0.754 -2.288 1.00 32.32 C ATOM 1783 O GLU A 117 -22.361 0.321 -2.315 1.00 13.24 O ATOM 1784 CB GLU A 117 -19.412 -1.269 -1.442 1.00 63.11 C ATOM 1785 CG GLU A 117 -18.991 -2.755 -1.477 1.00 10.41 C ATOM 1786 CD GLU A 117 -19.782 -3.673 -0.554 1.00 65.04 C ATOM 1787 OE1 GLU A 117 -19.376 -3.813 0.624 1.00 42.54 O ATOM 1788 OE2 GLU A 117 -20.747 -4.299 -1.049 1.00 30.30 O ATOM 0 H GLU A 117 -19.082 0.902 -2.599 1.00 61.01 H new ATOM 0 HA GLU A 117 -20.205 -1.598 -3.438 1.00 2.32 H new ATOM 0 HB2 GLU A 117 -18.518 -0.647 -1.396 1.00 63.11 H new ATOM 0 HB3 GLU A 117 -19.978 -1.082 -0.530 1.00 63.11 H new ATOM 0 HG2 GLU A 117 -19.090 -3.120 -2.499 1.00 10.41 H new ATOM 0 HG3 GLU A 117 -17.935 -2.824 -1.215 1.00 10.41 H new ATOM 1795 N SER A 118 -22.307 -1.902 -1.877 1.00 52.22 N ATOM 1796 CA SER A 118 -23.677 -2.161 -1.463 1.00 10.12 C ATOM 1797 C SER A 118 -24.698 -1.551 -2.425 1.00 62.44 C ATOM 1798 O SER A 118 -25.291 -0.500 -2.178 1.00 70.23 O ATOM 1799 CB SER A 118 -23.862 -1.762 0.000 1.00 24.24 C ATOM 1800 OG SER A 118 -22.829 -2.295 0.817 1.00 50.12 O ATOM 0 H SER A 118 -21.745 -2.751 -1.824 1.00 52.22 H new ATOM 0 HA SER A 118 -23.873 -3.232 -1.519 1.00 10.12 H new ATOM 0 HB2 SER A 118 -23.870 -0.675 0.084 1.00 24.24 H new ATOM 0 HB3 SER A 118 -24.829 -2.117 0.356 1.00 24.24 H new ATOM 0 HG SER A 118 -22.973 -2.021 1.747 1.00 50.12 H new ATOM 1806 N VAL A 119 -24.906 -2.247 -3.539 1.00 3.21 N ATOM 1807 CA VAL A 119 -25.688 -1.822 -4.680 1.00 25.14 C ATOM 1808 C VAL A 119 -26.540 -3.022 -5.115 1.00 44.55 C ATOM 1809 O VAL A 119 -26.193 -4.175 -4.847 1.00 54.32 O ATOM 1810 CB VAL A 119 -24.708 -1.263 -5.747 1.00 14.10 C ATOM 1811 CG1 VAL A 119 -23.495 -2.168 -6.031 1.00 24.44 C ATOM 1812 CG2 VAL A 119 -25.387 -0.944 -7.083 1.00 43.13 C ATOM 0 H VAL A 119 -24.507 -3.176 -3.670 1.00 3.21 H new ATOM 0 HA VAL A 119 -26.386 -1.011 -4.474 1.00 25.14 H new ATOM 0 HB VAL A 119 -24.351 -0.342 -5.287 1.00 14.10 H new ATOM 0 HG11 VAL A 119 -22.863 -1.703 -6.787 1.00 24.44 H new ATOM 0 HG12 VAL A 119 -22.922 -2.307 -5.114 1.00 24.44 H new ATOM 0 HG13 VAL A 119 -23.840 -3.136 -6.393 1.00 24.44 H new ATOM 0 HG21 VAL A 119 -24.647 -0.558 -7.784 1.00 43.13 H new ATOM 0 HG22 VAL A 119 -25.833 -1.851 -7.490 1.00 43.13 H new ATOM 0 HG23 VAL A 119 -26.164 -0.196 -6.927 1.00 43.13 H new ATOM 1822 N VAL A 120 -27.675 -2.755 -5.755 1.00 52.54 N ATOM 1823 CA VAL A 120 -28.639 -3.754 -6.229 1.00 31.23 C ATOM 1824 C VAL A 120 -29.255 -3.305 -7.571 1.00 34.43 C ATOM 1825 O VAL A 120 -30.389 -3.636 -7.913 1.00 70.34 O ATOM 1826 CB VAL A 120 -29.638 -4.056 -5.081 1.00 1.10 C ATOM 1827 CG1 VAL A 120 -30.561 -2.876 -4.729 1.00 61.11 C ATOM 1828 CG2 VAL A 120 -30.463 -5.329 -5.317 1.00 21.14 C ATOM 0 H VAL A 120 -27.963 -1.800 -5.968 1.00 52.54 H new ATOM 0 HA VAL A 120 -28.166 -4.707 -6.466 1.00 31.23 H new ATOM 0 HB VAL A 120 -28.997 -4.228 -4.217 1.00 1.10 H new ATOM 0 HG11 VAL A 120 -31.229 -3.166 -3.918 1.00 61.11 H new ATOM 0 HG12 VAL A 120 -29.958 -2.024 -4.415 1.00 61.11 H new ATOM 0 HG13 VAL A 120 -31.150 -2.601 -5.604 1.00 61.11 H new ATOM 0 HG21 VAL A 120 -31.142 -5.483 -4.478 1.00 21.14 H new ATOM 0 HG22 VAL A 120 -31.040 -5.224 -6.236 1.00 21.14 H new ATOM 0 HG23 VAL A 120 -29.794 -6.185 -5.405 1.00 21.14 H new ATOM 1838 N LYS A 121 -28.531 -2.482 -8.335 1.00 51.42 N ATOM 1839 CA LYS A 121 -28.970 -2.044 -9.658 1.00 24.10 C ATOM 1840 C LYS A 121 -29.061 -3.248 -10.604 1.00 31.32 C ATOM 1841 O LYS A 121 -28.191 -4.123 -10.592 1.00 74.12 O ATOM 1842 CB LYS A 121 -28.059 -0.911 -10.167 1.00 4.14 C ATOM 1843 CG LYS A 121 -26.572 -1.278 -10.335 1.00 61.43 C ATOM 1844 CD LYS A 121 -26.202 -1.602 -11.783 1.00 45.22 C ATOM 1845 CE LYS A 121 -24.717 -1.966 -11.860 1.00 42.22 C ATOM 1846 NZ LYS A 121 -23.843 -0.794 -12.064 1.00 33.34 N ATOM 0 H LYS A 121 -27.627 -2.103 -8.053 1.00 51.42 H new ATOM 0 HA LYS A 121 -29.974 -1.623 -9.608 1.00 24.10 H new ATOM 0 HB2 LYS A 121 -28.441 -0.566 -11.128 1.00 4.14 H new ATOM 0 HB3 LYS A 121 -28.132 -0.072 -9.475 1.00 4.14 H new ATOM 0 HG2 LYS A 121 -25.956 -0.450 -9.984 1.00 61.43 H new ATOM 0 HG3 LYS A 121 -26.341 -2.137 -9.705 1.00 61.43 H new ATOM 0 HD2 LYS A 121 -26.810 -2.430 -12.149 1.00 45.22 H new ATOM 0 HD3 LYS A 121 -26.411 -0.745 -12.424 1.00 45.22 H new ATOM 0 HE2 LYS A 121 -24.425 -2.473 -10.940 1.00 42.22 H new ATOM 0 HE3 LYS A 121 -24.564 -2.672 -12.676 1.00 42.22 H new ATOM 0 HZ1 LYS A 121 -22.851 -1.104 -12.108 1.00 33.34 H new ATOM 0 HZ2 LYS A 121 -24.098 -0.322 -12.955 1.00 33.34 H new ATOM 0 HZ3 LYS A 121 -23.963 -0.129 -11.273 1.00 33.34 H new ATOM 1860 N LEU A 122 -30.119 -3.292 -11.417 1.00 45.34 N ATOM 1861 CA LEU A 122 -30.325 -4.349 -12.408 1.00 5.21 C ATOM 1862 C LEU A 122 -29.282 -4.222 -13.518 1.00 72.42 C ATOM 1863 O LEU A 122 -28.851 -3.107 -13.833 1.00 10.23 O ATOM 1864 CB LEU A 122 -31.751 -4.289 -12.993 1.00 74.04 C ATOM 1865 CG LEU A 122 -32.778 -5.211 -12.302 1.00 53.34 C ATOM 1866 CD1 LEU A 122 -32.488 -6.692 -12.565 1.00 13.20 C ATOM 1867 CD2 LEU A 122 -32.881 -4.959 -10.792 1.00 2.41 C ATOM 0 H LEU A 122 -30.860 -2.591 -11.406 1.00 45.34 H new ATOM 0 HA LEU A 122 -30.209 -5.316 -11.918 1.00 5.21 H new ATOM 0 HB2 LEU A 122 -32.109 -3.261 -12.933 1.00 74.04 H new ATOM 0 HB3 LEU A 122 -31.705 -4.549 -14.050 1.00 74.04 H new ATOM 0 HG LEU A 122 -33.741 -4.960 -12.748 1.00 53.34 H new ATOM 0 HD11 LEU A 122 -33.235 -7.304 -12.060 1.00 13.20 H new ATOM 0 HD12 LEU A 122 -32.525 -6.885 -13.637 1.00 13.20 H new ATOM 0 HD13 LEU A 122 -31.497 -6.942 -12.185 1.00 13.20 H new ATOM 0 HD21 LEU A 122 -33.618 -5.636 -10.360 1.00 2.41 H new ATOM 0 HD22 LEU A 122 -31.911 -5.134 -10.327 1.00 2.41 H new ATOM 0 HD23 LEU A 122 -33.187 -3.928 -10.615 1.00 2.41 H new ATOM 1879 N MET A 123 -28.914 -5.352 -14.129 1.00 34.13 N ATOM 1880 CA MET A 123 -27.942 -5.423 -15.219 1.00 64.13 C ATOM 1881 C MET A 123 -28.312 -6.418 -16.315 1.00 5.30 C ATOM 1882 O MET A 123 -27.790 -6.304 -17.427 1.00 1.30 O ATOM 1883 CB MET A 123 -26.562 -5.821 -14.667 1.00 65.43 C ATOM 1884 CG MET A 123 -25.835 -4.678 -13.962 1.00 1.22 C ATOM 1885 SD MET A 123 -24.837 -3.559 -14.994 1.00 64.01 S ATOM 1886 CE MET A 123 -25.954 -2.981 -16.300 1.00 25.31 C ATOM 0 H MET A 123 -29.294 -6.263 -13.872 1.00 34.13 H new ATOM 0 HA MET A 123 -27.930 -4.428 -15.664 1.00 64.13 H new ATOM 0 HB2 MET A 123 -26.684 -6.649 -13.969 1.00 65.43 H new ATOM 0 HB3 MET A 123 -25.942 -6.184 -15.487 1.00 65.43 H new ATOM 0 HG2 MET A 123 -26.579 -4.079 -13.437 1.00 1.22 H new ATOM 0 HG3 MET A 123 -25.181 -5.111 -13.204 1.00 1.22 H new ATOM 0 HE1 MET A 123 -25.446 -2.233 -16.909 1.00 25.31 H new ATOM 0 HE2 MET A 123 -26.246 -3.823 -16.928 1.00 25.31 H new ATOM 0 HE3 MET A 123 -26.843 -2.539 -15.849 1.00 25.31 H new ATOM 1896 N LEU A 124 -29.170 -7.388 -16.024 1.00 45.41 N ATOM 1897 CA LEU A 124 -29.626 -8.426 -16.923 1.00 62.12 C ATOM 1898 C LEU A 124 -31.104 -8.572 -16.613 1.00 62.01 C ATOM 1899 O LEU A 124 -31.864 -8.797 -17.571 1.00 12.10 O ATOM 1900 CB LEU A 124 -28.877 -9.740 -16.642 1.00 61.35 C ATOM 1901 CG LEU A 124 -29.012 -10.723 -17.817 1.00 4.30 C ATOM 1902 CD1 LEU A 124 -27.971 -10.401 -18.902 1.00 33.04 C ATOM 1903 CD2 LEU A 124 -28.797 -12.158 -17.331 1.00 63.03 C ATOM 0 H LEU A 124 -29.588 -7.471 -15.097 1.00 45.41 H new ATOM 0 HA LEU A 124 -29.447 -8.184 -17.971 1.00 62.12 H new ATOM 0 HB2 LEU A 124 -27.823 -9.529 -16.461 1.00 61.35 H new ATOM 0 HB3 LEU A 124 -29.270 -10.198 -15.735 1.00 61.35 H new ATOM 0 HG LEU A 124 -30.014 -10.624 -18.233 1.00 4.30 H new ATOM 0 HD11 LEU A 124 -28.077 -11.104 -19.728 1.00 33.04 H new ATOM 0 HD12 LEU A 124 -28.128 -9.386 -19.267 1.00 33.04 H new ATOM 0 HD13 LEU A 124 -26.969 -10.484 -18.481 1.00 33.04 H new ATOM 0 HD21 LEU A 124 -28.895 -12.845 -18.171 1.00 63.03 H new ATOM 0 HD22 LEU A 124 -27.800 -12.251 -16.901 1.00 63.03 H new ATOM 0 HD23 LEU A 124 -29.543 -12.401 -16.574 1.00 63.03 H new TER 1915 LEU A 124