USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 849 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 15 SER OG : rot -66:sc= 0.538 USER MOD Set 1.2: A 96 TYR OH : rot 30:sc= 0.498 USER MOD Set 2.1: A 84 MET CE :methyl 140:sc= -1.55 (180deg=-5.61!) USER MOD Set 2.2: A 86 CYS SG : rot -62:sc= 0.0841 USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Set 3.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= -0.297 USER MOD Set 4.2: A 33 SER OG : rot -26:sc= 0.665 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= -0.147 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 35:sc= 0.392 USER MOD Single : A 22 ASN : amide:sc= 0.356 K(o=0.36,f=-2.1!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.7) USER MOD Single : A 35 THR OG1 : rot 82:sc= 0.942 USER MOD Single : A 37 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.502 F(o=-2.8!,f=-0.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.561 K(o=-0.56,f=-1.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.5) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.05 X(o=-1.1,f=-1) USER MOD Single : A 67 CYS SG : rot 107:sc= -0.0738 USER MOD Single : A 68 TYR OH : rot 180:sc=-0.00102 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.602 K(o=-0.6,f=-3.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -140:sc= -0.592 (180deg=-2.47!) USER MOD Single : A 91 SER OG : rot -170:sc= 1.68 USER MOD Single : A 94 ASN : amide:sc= -2.21 K(o=-2.2,f=-11!) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.886 USER MOD Single : A 99 SER OG : rot -74:sc= -0.258 USER MOD Single : A 102 SER OG : rot 177:sc= 0.649 USER MOD Single : A 107 TYR OH : rot -178:sc= -0.298 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -173:sc= 0.625 USER MOD Single : A 110 SER OG : rot 131:sc= 1.18 USER MOD Single : A 112 CYS SG : rot 180:sc=0.000417 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 39:sc= 0.557 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.403 44.715 7.992 1.00 0.00 N ATOM 2 CA GLY A 1 -24.191 43.960 7.733 1.00 0.00 C ATOM 3 C GLY A 1 -23.172 44.754 6.940 1.00 0.00 C ATOM 4 O GLY A 1 -22.260 45.352 7.512 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.067 44.129 8.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.170 45.570 8.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.842 44.988 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.749 43.652 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.443 43.050 7.188 1.00 0.00 H new ATOM 8 N SER A 2 -23.325 44.759 5.620 1.00 0.00 N ATOM 9 CA SER A 2 -22.407 45.481 4.747 1.00 0.00 C ATOM 10 C SER A 2 -20.966 45.320 5.222 1.00 0.00 C ATOM 11 O SER A 2 -20.233 46.300 5.360 1.00 0.00 O ATOM 12 CB SER A 2 -22.777 46.965 4.697 1.00 0.00 C ATOM 13 OG SER A 2 -24.062 47.151 4.129 1.00 0.00 O ATOM 0 H SER A 2 -24.076 44.271 5.131 1.00 0.00 H new ATOM 0 HA SER A 2 -22.490 45.060 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.757 47.382 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.035 47.509 4.112 1.00 0.00 H new ATOM 0 HG SER A 2 -24.276 48.107 4.110 1.00 0.00 H new ATOM 19 N SER A 3 -20.567 44.077 5.472 1.00 0.00 N ATOM 20 CA SER A 3 -19.215 43.787 5.935 1.00 0.00 C ATOM 21 C SER A 3 -18.471 42.915 4.928 1.00 0.00 C ATOM 22 O SER A 3 -19.032 41.972 4.373 1.00 0.00 O ATOM 23 CB SER A 3 -19.259 43.090 7.296 1.00 0.00 C ATOM 24 OG SER A 3 -18.042 43.270 8.001 1.00 0.00 O ATOM 0 H SER A 3 -21.161 43.255 5.362 1.00 0.00 H new ATOM 0 HA SER A 3 -18.681 44.732 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.086 43.487 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.448 42.026 7.157 1.00 0.00 H new ATOM 0 HG SER A 3 -18.096 42.817 8.868 1.00 0.00 H new ATOM 30 N GLY A 4 -17.202 43.239 4.698 1.00 0.00 N ATOM 31 CA GLY A 4 -16.401 42.477 3.759 1.00 0.00 C ATOM 32 C GLY A 4 -16.139 41.062 4.235 1.00 0.00 C ATOM 33 O GLY A 4 -16.790 40.581 5.162 1.00 0.00 O ATOM 0 H GLY A 4 -16.715 44.016 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.909 42.445 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.450 42.986 3.601 1.00 0.00 H new ATOM 37 N SER A 5 -15.184 40.392 3.597 1.00 0.00 N ATOM 38 CA SER A 5 -14.842 39.021 3.957 1.00 0.00 C ATOM 39 C SER A 5 -13.515 38.609 3.327 1.00 0.00 C ATOM 40 O SER A 5 -13.070 39.203 2.345 1.00 0.00 O ATOM 41 CB SER A 5 -15.949 38.063 3.514 1.00 0.00 C ATOM 42 OG SER A 5 -16.955 37.952 4.506 1.00 0.00 O ATOM 0 H SER A 5 -14.634 40.776 2.829 1.00 0.00 H new ATOM 0 HA SER A 5 -14.741 38.971 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.390 38.418 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.524 37.080 3.311 1.00 0.00 H new ATOM 0 HG SER A 5 -17.097 38.825 4.927 1.00 0.00 H new ATOM 48 N SER A 6 -12.887 37.587 3.900 1.00 0.00 N ATOM 49 CA SER A 6 -11.608 37.097 3.398 1.00 0.00 C ATOM 50 C SER A 6 -11.418 35.623 3.744 1.00 0.00 C ATOM 51 O SER A 6 -12.118 35.079 4.596 1.00 0.00 O ATOM 52 CB SER A 6 -10.458 37.922 3.978 1.00 0.00 C ATOM 53 OG SER A 6 -10.647 39.305 3.731 1.00 0.00 O ATOM 0 H SER A 6 -13.243 37.082 4.712 1.00 0.00 H new ATOM 0 HA SER A 6 -11.608 37.201 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.387 37.748 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.515 37.596 3.539 1.00 0.00 H new ATOM 0 HG SER A 6 -9.899 39.811 4.113 1.00 0.00 H new ATOM 59 N GLY A 7 -10.463 34.983 3.075 1.00 0.00 N ATOM 60 CA GLY A 7 -10.196 33.579 3.325 1.00 0.00 C ATOM 61 C GLY A 7 -8.737 33.313 3.639 1.00 0.00 C ATOM 62 O GLY A 7 -8.108 34.066 4.381 1.00 0.00 O ATOM 0 H GLY A 7 -9.870 35.412 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.812 33.238 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.489 32.996 2.452 1.00 0.00 H new ATOM 66 N ALA A 8 -8.199 32.237 3.073 1.00 0.00 N ATOM 67 CA ALA A 8 -6.805 31.874 3.297 1.00 0.00 C ATOM 68 C ALA A 8 -5.932 32.295 2.119 1.00 0.00 C ATOM 69 O ALA A 8 -6.421 32.469 1.004 1.00 0.00 O ATOM 70 CB ALA A 8 -6.682 30.377 3.538 1.00 0.00 C ATOM 0 H ALA A 8 -8.707 31.602 2.457 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.455 32.404 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.636 30.120 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.267 30.100 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.055 29.837 2.668 1.00 0.00 H new ATOM 76 N GLU A 9 -4.638 32.458 2.377 1.00 0.00 N ATOM 77 CA GLU A 9 -3.698 32.861 1.337 1.00 0.00 C ATOM 78 C GLU A 9 -3.232 31.655 0.527 1.00 0.00 C ATOM 79 O GLU A 9 -2.050 31.527 0.208 1.00 0.00 O ATOM 80 CB GLU A 9 -2.492 33.571 1.956 1.00 0.00 C ATOM 81 CG GLU A 9 -1.816 34.554 1.015 1.00 0.00 C ATOM 82 CD GLU A 9 -2.655 35.792 0.763 1.00 0.00 C ATOM 83 OE1 GLU A 9 -2.744 36.644 1.672 1.00 0.00 O ATOM 84 OE2 GLU A 9 -3.222 35.908 -0.343 1.00 0.00 O ATOM 0 H GLU A 9 -4.217 32.318 3.295 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.211 33.550 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.814 34.101 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.764 32.824 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.855 34.850 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.610 34.060 0.066 1.00 0.00 H new ATOM 91 N ILE A 10 -4.170 30.772 0.200 1.00 0.00 N ATOM 92 CA ILE A 10 -3.856 29.576 -0.572 1.00 0.00 C ATOM 93 C ILE A 10 -4.619 29.558 -1.892 1.00 0.00 C ATOM 94 O ILE A 10 -5.820 29.826 -1.932 1.00 0.00 O ATOM 95 CB ILE A 10 -4.186 28.294 0.216 1.00 0.00 C ATOM 96 CG1 ILE A 10 -3.397 28.258 1.527 1.00 0.00 C ATOM 97 CG2 ILE A 10 -3.883 27.063 -0.625 1.00 0.00 C ATOM 98 CD1 ILE A 10 -4.009 27.357 2.575 1.00 0.00 C ATOM 0 H ILE A 10 -5.153 30.862 0.458 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.785 29.603 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.250 28.295 0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.380 27.924 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.325 29.270 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.121 26.165 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.485 27.086 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.826 27.055 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.397 27.380 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.015 27.703 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.056 26.336 2.195 1.00 0.00 H new ATOM 110 N PHE A 11 -3.914 29.238 -2.973 1.00 0.00 N ATOM 111 CA PHE A 11 -4.524 29.184 -4.296 1.00 0.00 C ATOM 112 C PHE A 11 -4.263 27.836 -4.961 1.00 0.00 C ATOM 113 O PHE A 11 -3.316 27.684 -5.733 1.00 0.00 O ATOM 114 CB PHE A 11 -3.985 30.313 -5.176 1.00 0.00 C ATOM 115 CG PHE A 11 -4.650 31.636 -4.929 1.00 0.00 C ATOM 116 CD1 PHE A 11 -5.884 31.923 -5.491 1.00 0.00 C ATOM 117 CD2 PHE A 11 -4.042 32.595 -4.134 1.00 0.00 C ATOM 118 CE1 PHE A 11 -6.499 33.140 -5.265 1.00 0.00 C ATOM 119 CE2 PHE A 11 -4.652 33.813 -3.904 1.00 0.00 C ATOM 120 CZ PHE A 11 -5.882 34.086 -4.471 1.00 0.00 C ATOM 0 H PHE A 11 -2.919 29.012 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.600 29.308 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.914 30.416 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.115 30.040 -6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.371 31.187 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.080 32.388 -3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.461 33.351 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.168 34.551 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.360 35.038 -4.293 1.00 0.00 H new ATOM 130 N THR A 12 -5.110 26.857 -4.655 1.00 0.00 N ATOM 131 CA THR A 12 -4.970 25.521 -5.220 1.00 0.00 C ATOM 132 C THR A 12 -3.503 25.154 -5.407 1.00 0.00 C ATOM 133 O THR A 12 -3.120 24.580 -6.427 1.00 0.00 O ATOM 134 CB THR A 12 -5.693 25.407 -6.575 1.00 0.00 C ATOM 135 OG1 THR A 12 -5.159 26.364 -7.497 1.00 0.00 O ATOM 136 CG2 THR A 12 -7.188 25.631 -6.412 1.00 0.00 C ATOM 0 H THR A 12 -5.900 26.965 -4.019 1.00 0.00 H new ATOM 0 HA THR A 12 -5.427 24.829 -4.513 1.00 0.00 H new ATOM 0 HB THR A 12 -5.534 24.401 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.623 26.284 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.677 25.545 -7.383 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.596 24.882 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.364 26.626 -6.003 1.00 0.00 H new ATOM 144 N THR A 13 -2.683 25.486 -4.414 1.00 0.00 N ATOM 145 CA THR A 13 -1.257 25.191 -4.469 1.00 0.00 C ATOM 146 C THR A 13 -1.012 23.706 -4.713 1.00 0.00 C ATOM 147 O THR A 13 -1.937 22.895 -4.651 1.00 0.00 O ATOM 148 CB THR A 13 -0.546 25.611 -3.169 1.00 0.00 C ATOM 149 OG1 THR A 13 -1.140 24.945 -2.049 1.00 0.00 O ATOM 150 CG2 THR A 13 -0.625 27.117 -2.970 1.00 0.00 C ATOM 0 H THR A 13 -2.983 25.960 -3.562 1.00 0.00 H new ATOM 0 HA THR A 13 -0.847 25.765 -5.300 1.00 0.00 H new ATOM 0 HB THR A 13 0.503 25.326 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.681 25.216 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.116 27.389 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.146 27.621 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.670 27.422 -2.912 1.00 0.00 H new ATOM 158 N LEU A 14 0.240 23.356 -4.989 1.00 0.00 N ATOM 159 CA LEU A 14 0.607 21.967 -5.242 1.00 0.00 C ATOM 160 C LEU A 14 1.821 21.565 -4.410 1.00 0.00 C ATOM 161 O LEU A 14 2.813 21.067 -4.942 1.00 0.00 O ATOM 162 CB LEU A 14 0.902 21.759 -6.728 1.00 0.00 C ATOM 163 CG LEU A 14 -0.112 22.357 -7.704 1.00 0.00 C ATOM 164 CD1 LEU A 14 0.423 22.309 -9.126 1.00 0.00 C ATOM 165 CD2 LEU A 14 -1.442 21.624 -7.607 1.00 0.00 C ATOM 0 H LEU A 14 1.017 24.014 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.234 21.336 -4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.881 22.185 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.971 20.688 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.275 23.401 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.312 22.739 -9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.350 22.880 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.616 21.274 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.151 22.063 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.296 20.571 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.833 21.712 -6.593 1.00 0.00 H new ATOM 177 N SER A 15 1.734 21.783 -3.102 1.00 0.00 N ATOM 178 CA SER A 15 2.826 21.445 -2.196 1.00 0.00 C ATOM 179 C SER A 15 2.303 20.711 -0.965 1.00 0.00 C ATOM 180 O SER A 15 1.974 21.329 0.048 1.00 0.00 O ATOM 181 CB SER A 15 3.573 22.710 -1.770 1.00 0.00 C ATOM 182 OG SER A 15 4.403 23.189 -2.814 1.00 0.00 O ATOM 0 H SER A 15 0.919 22.192 -2.646 1.00 0.00 H new ATOM 0 HA SER A 15 3.514 20.786 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.856 23.481 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.178 22.499 -0.888 1.00 0.00 H new ATOM 0 HG SER A 15 5.119 22.542 -2.985 1.00 0.00 H new ATOM 188 N CYS A 16 2.229 19.388 -1.061 1.00 0.00 N ATOM 189 CA CYS A 16 1.746 18.567 0.044 1.00 0.00 C ATOM 190 C CYS A 16 2.027 17.090 -0.213 1.00 0.00 C ATOM 191 O CYS A 16 2.390 16.701 -1.322 1.00 0.00 O ATOM 192 CB CYS A 16 0.246 18.784 0.250 1.00 0.00 C ATOM 193 SG CYS A 16 -0.155 20.115 1.406 1.00 0.00 S ATOM 0 H CYS A 16 2.497 18.861 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 16 2.277 18.868 0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.214 19.003 -0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.198 17.857 0.612 1.00 0.00 H new ATOM 0 HG CYS A 16 0.727 21.064 1.298 1.00 0.00 H new ATOM 199 N GLU A 17 1.860 16.273 0.822 1.00 0.00 N ATOM 200 CA GLU A 17 2.099 14.839 0.709 1.00 0.00 C ATOM 201 C GLU A 17 1.292 14.242 -0.440 1.00 0.00 C ATOM 202 O GLU A 17 0.233 14.746 -0.816 1.00 0.00 O ATOM 203 CB GLU A 17 1.740 14.134 2.019 1.00 0.00 C ATOM 204 CG GLU A 17 0.321 14.408 2.488 1.00 0.00 C ATOM 205 CD GLU A 17 -0.710 13.584 1.742 1.00 0.00 C ATOM 206 OE1 GLU A 17 -0.830 12.376 2.034 1.00 0.00 O ATOM 207 OE2 GLU A 17 -1.397 14.149 0.865 1.00 0.00 O ATOM 0 H GLU A 17 1.560 16.579 1.748 1.00 0.00 H new ATOM 0 HA GLU A 17 3.159 14.689 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.870 13.059 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.438 14.450 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.248 14.196 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.098 15.467 2.358 1.00 0.00 H new ATOM 214 N PRO A 18 1.803 13.142 -1.013 1.00 0.00 N ATOM 215 CA PRO A 18 1.146 12.452 -2.128 1.00 0.00 C ATOM 216 C PRO A 18 -0.138 11.751 -1.700 1.00 0.00 C ATOM 217 O PRO A 18 -0.433 11.648 -0.509 1.00 0.00 O ATOM 218 CB PRO A 18 2.191 11.427 -2.575 1.00 0.00 C ATOM 219 CG PRO A 18 3.025 11.183 -1.365 1.00 0.00 C ATOM 220 CD PRO A 18 3.061 12.487 -0.617 1.00 0.00 C ATOM 0 HA PRO A 18 0.843 13.144 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.720 10.508 -2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.793 11.809 -3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.597 10.392 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.030 10.864 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.111 12.331 0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.930 13.085 -0.893 1.00 0.00 H new ATOM 228 N ASP A 19 -0.899 11.271 -2.677 1.00 0.00 N ATOM 229 CA ASP A 19 -2.152 10.578 -2.401 1.00 0.00 C ATOM 230 C ASP A 19 -1.889 9.194 -1.814 1.00 0.00 C ATOM 231 O ASP A 19 -0.884 8.557 -2.127 1.00 0.00 O ATOM 232 CB ASP A 19 -2.983 10.454 -3.679 1.00 0.00 C ATOM 233 CG ASP A 19 -4.095 9.432 -3.549 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.960 9.607 -2.666 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.101 8.458 -4.330 1.00 0.00 O ATOM 0 H ASP A 19 -0.670 11.349 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.710 11.163 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.413 11.425 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.331 10.175 -4.507 1.00 0.00 H new ATOM 240 N ILE A 20 -2.800 8.737 -0.960 1.00 0.00 N ATOM 241 CA ILE A 20 -2.666 7.430 -0.330 1.00 0.00 C ATOM 242 C ILE A 20 -2.746 6.311 -1.362 1.00 0.00 C ATOM 243 O ILE A 20 -3.771 6.103 -2.011 1.00 0.00 O ATOM 244 CB ILE A 20 -3.754 7.207 0.738 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.639 8.259 1.842 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.644 5.806 1.321 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.853 8.325 2.743 1.00 0.00 C ATOM 0 H ILE A 20 -3.638 9.252 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.687 7.409 0.149 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.731 7.308 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.759 8.044 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.481 9.236 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.419 5.663 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.770 5.070 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.664 5.679 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.701 9.092 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.734 8.571 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.000 7.360 3.227 1.00 0.00 H new ATOM 259 N PRO A 21 -1.639 5.570 -1.519 1.00 0.00 N ATOM 260 CA PRO A 21 -1.558 4.458 -2.470 1.00 0.00 C ATOM 261 C PRO A 21 -2.412 3.268 -2.043 1.00 0.00 C ATOM 262 O PRO A 21 -2.480 2.933 -0.862 1.00 0.00 O ATOM 263 CB PRO A 21 -0.074 4.084 -2.454 1.00 0.00 C ATOM 264 CG PRO A 21 0.415 4.532 -1.120 1.00 0.00 C ATOM 265 CD PRO A 21 -0.380 5.762 -0.779 1.00 0.00 C ATOM 0 HA PRO A 21 -1.930 4.737 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.065 3.011 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.468 4.578 -3.261 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.271 3.754 -0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.482 4.753 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.553 5.844 0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.134 6.672 -1.089 1.00 0.00 H new ATOM 273 N ASN A 22 -3.061 2.633 -3.014 1.00 0.00 N ATOM 274 CA ASN A 22 -3.910 1.480 -2.738 1.00 0.00 C ATOM 275 C ASN A 22 -3.153 0.426 -1.935 1.00 0.00 C ATOM 276 O ASN A 22 -1.923 0.408 -1.893 1.00 0.00 O ATOM 277 CB ASN A 22 -4.420 0.872 -4.046 1.00 0.00 C ATOM 278 CG ASN A 22 -3.432 1.037 -5.185 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.315 2.115 -5.768 1.00 0.00 O ATOM 280 ND2 ASN A 22 -2.715 -0.033 -5.506 1.00 0.00 N ATOM 0 H ASN A 22 -3.015 2.897 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.760 1.819 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.623 -0.188 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.365 1.342 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.034 0.018 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.845 -0.906 -4.995 1.00 0.00 H new ATOM 287 N PRO A 23 -3.905 -0.473 -1.283 1.00 0.00 N ATOM 288 CA PRO A 23 -3.327 -1.547 -0.470 1.00 0.00 C ATOM 289 C PRO A 23 -2.626 -2.603 -1.319 1.00 0.00 C ATOM 290 O PRO A 23 -3.024 -2.892 -2.448 1.00 0.00 O ATOM 291 CB PRO A 23 -4.543 -2.151 0.237 1.00 0.00 C ATOM 292 CG PRO A 23 -5.694 -1.837 -0.655 1.00 0.00 C ATOM 293 CD PRO A 23 -5.377 -0.511 -1.289 1.00 0.00 C ATOM 0 HA PRO A 23 -2.562 -1.175 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.429 -3.227 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.680 -1.718 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.823 -2.610 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.624 -1.786 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.777 -0.444 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.803 0.317 -0.722 1.00 0.00 H new ATOM 301 N PRO A 24 -1.557 -3.194 -0.765 1.00 0.00 N ATOM 302 CA PRO A 24 -0.778 -4.228 -1.454 1.00 0.00 C ATOM 303 C PRO A 24 -1.550 -5.535 -1.597 1.00 0.00 C ATOM 304 O PRO A 24 -2.303 -5.923 -0.704 1.00 0.00 O ATOM 305 CB PRO A 24 0.438 -4.421 -0.545 1.00 0.00 C ATOM 306 CG PRO A 24 -0.029 -4.001 0.806 1.00 0.00 C ATOM 307 CD PRO A 24 -1.025 -2.899 0.576 1.00 0.00 C ATOM 0 HA PRO A 24 -0.523 -3.936 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.771 -5.459 -0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.281 -3.816 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.486 -4.835 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.804 -3.653 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.812 -2.905 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.554 -1.917 0.614 1.00 0.00 H new ATOM 315 N ARG A 25 -1.356 -6.211 -2.725 1.00 0.00 N ATOM 316 CA ARG A 25 -2.035 -7.475 -2.985 1.00 0.00 C ATOM 317 C ARG A 25 -1.067 -8.648 -2.856 1.00 0.00 C ATOM 318 O ARG A 25 0.144 -8.457 -2.748 1.00 0.00 O ATOM 319 CB ARG A 25 -2.659 -7.466 -4.381 1.00 0.00 C ATOM 320 CG ARG A 25 -1.709 -6.994 -5.470 1.00 0.00 C ATOM 321 CD ARG A 25 -2.339 -7.111 -6.849 1.00 0.00 C ATOM 322 NE ARG A 25 -3.395 -6.124 -7.054 1.00 0.00 N ATOM 323 CZ ARG A 25 -4.087 -6.012 -8.182 1.00 0.00 C ATOM 324 NH1 ARG A 25 -3.836 -6.822 -9.201 1.00 0.00 N ATOM 325 NH2 ARG A 25 -5.033 -5.087 -8.293 1.00 0.00 N ATOM 0 H ARG A 25 -0.734 -5.904 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.825 -7.594 -2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.004 -8.472 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.538 -6.821 -4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.427 -5.957 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.793 -7.584 -5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.570 -6.983 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.750 -8.113 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.613 -5.486 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.110 -7.534 -9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.369 -6.734 -10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.229 -4.461 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.564 -5.002 -9.160 1.00 0.00 H new ATOM 339 N ILE A 26 -1.611 -9.860 -2.867 1.00 0.00 N ATOM 340 CA ILE A 26 -0.796 -11.063 -2.752 1.00 0.00 C ATOM 341 C ILE A 26 -0.538 -11.686 -4.120 1.00 0.00 C ATOM 342 O ILE A 26 -1.470 -11.940 -4.883 1.00 0.00 O ATOM 343 CB ILE A 26 -1.463 -12.111 -1.841 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.179 -11.796 -0.371 1.00 0.00 C ATOM 345 CG2 ILE A 26 -0.974 -13.508 -2.194 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.250 -12.074 0.041 1.00 0.00 C ATOM 0 H ILE A 26 -2.612 -10.035 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 26 0.152 -10.759 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.541 -12.074 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.405 -10.747 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.850 -12.384 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.454 -14.237 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.224 -13.729 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.107 -13.559 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.379 -11.828 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.475 -13.129 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.927 -11.466 -0.559 1.00 0.00 H new ATOM 358 N ALA A 27 0.732 -11.931 -4.423 1.00 0.00 N ATOM 359 CA ALA A 27 1.112 -12.527 -5.698 1.00 0.00 C ATOM 360 C ALA A 27 1.755 -13.895 -5.493 1.00 0.00 C ATOM 361 O ALA A 27 1.896 -14.672 -6.437 1.00 0.00 O ATOM 362 CB ALA A 27 2.059 -11.604 -6.451 1.00 0.00 C ATOM 0 H ALA A 27 1.516 -11.726 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 27 0.208 -12.664 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.334 -12.062 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.566 -10.650 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.956 -11.438 -5.855 1.00 0.00 H new ATOM 368 N ASN A 28 2.144 -14.182 -4.255 1.00 0.00 N ATOM 369 CA ASN A 28 2.773 -15.456 -3.928 1.00 0.00 C ATOM 370 C ASN A 28 3.014 -15.574 -2.426 1.00 0.00 C ATOM 371 O ASN A 28 3.812 -14.831 -1.855 1.00 0.00 O ATOM 372 CB ASN A 28 4.097 -15.603 -4.681 1.00 0.00 C ATOM 373 CG ASN A 28 4.643 -17.017 -4.621 1.00 0.00 C ATOM 374 OD1 ASN A 28 4.032 -17.953 -5.138 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.798 -17.178 -3.986 1.00 0.00 N ATOM 0 H ASN A 28 2.035 -13.550 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 28 2.098 -16.255 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.953 -15.316 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.830 -14.915 -4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.214 -18.106 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.269 -16.373 -3.573 1.00 0.00 H new ATOM 382 N ARG A 29 2.319 -16.513 -1.793 1.00 0.00 N ATOM 383 CA ARG A 29 2.456 -16.728 -0.357 1.00 0.00 C ATOM 384 C ARG A 29 2.639 -18.210 -0.045 1.00 0.00 C ATOM 385 O ARG A 29 1.951 -19.064 -0.605 1.00 0.00 O ATOM 386 CB ARG A 29 1.230 -16.188 0.381 1.00 0.00 C ATOM 387 CG ARG A 29 -0.080 -16.801 -0.085 1.00 0.00 C ATOM 388 CD ARG A 29 -1.134 -16.764 1.011 1.00 0.00 C ATOM 389 NE ARG A 29 -2.263 -17.641 0.716 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.170 -17.382 -0.219 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.082 -16.276 -0.945 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.169 -18.229 -0.429 1.00 0.00 N ATOM 0 H ARG A 29 1.655 -17.137 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 29 3.341 -16.190 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.348 -16.373 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.183 -15.107 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.444 -16.262 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.089 -17.833 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.683 -17.061 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.492 -15.742 1.135 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.361 -18.500 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.316 -15.621 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.780 -16.080 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.241 -19.080 0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.865 -18.029 -1.147 1.00 0.00 H new ATOM 406 N THR A 30 3.572 -18.510 0.854 1.00 0.00 N ATOM 407 CA THR A 30 3.846 -19.888 1.241 1.00 0.00 C ATOM 408 C THR A 30 3.604 -20.100 2.731 1.00 0.00 C ATOM 409 O THR A 30 3.183 -19.185 3.438 1.00 0.00 O ATOM 410 CB THR A 30 5.296 -20.287 0.905 1.00 0.00 C ATOM 411 OG1 THR A 30 6.159 -19.961 2.000 1.00 0.00 O ATOM 412 CG2 THR A 30 5.775 -19.579 -0.353 1.00 0.00 C ATOM 0 H THR A 30 4.151 -17.816 1.328 1.00 0.00 H new ATOM 0 HA THR A 30 3.162 -20.518 0.673 1.00 0.00 H new ATOM 0 HB THR A 30 5.322 -21.362 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.079 -20.219 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.801 -19.877 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.133 -19.852 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.735 -18.500 -0.201 1.00 0.00 H new ATOM 420 N LYS A 31 3.875 -21.313 3.202 1.00 0.00 N ATOM 421 CA LYS A 31 3.689 -21.645 4.610 1.00 0.00 C ATOM 422 C LYS A 31 4.656 -20.858 5.488 1.00 0.00 C ATOM 423 O LYS A 31 4.372 -20.589 6.654 1.00 0.00 O ATOM 424 CB LYS A 31 3.889 -23.147 4.831 1.00 0.00 C ATOM 425 CG LYS A 31 3.074 -24.014 3.887 1.00 0.00 C ATOM 426 CD LYS A 31 3.356 -25.492 4.105 1.00 0.00 C ATOM 427 CE LYS A 31 2.573 -26.040 5.287 1.00 0.00 C ATOM 428 NZ LYS A 31 3.170 -27.299 5.812 1.00 0.00 N ATOM 0 H LYS A 31 4.224 -22.082 2.630 1.00 0.00 H new ATOM 0 HA LYS A 31 2.671 -21.374 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.946 -23.386 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.622 -23.393 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.012 -23.819 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.304 -23.747 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.096 -26.050 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.423 -25.639 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.544 -25.293 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.542 -26.225 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.607 -27.641 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.175 -28.020 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.145 -27.117 6.124 1.00 0.00 H new ATOM 442 N ASN A 32 5.799 -20.490 4.918 1.00 0.00 N ATOM 443 CA ASN A 32 6.808 -19.732 5.649 1.00 0.00 C ATOM 444 C ASN A 32 7.300 -18.545 4.826 1.00 0.00 C ATOM 445 O ASN A 32 8.477 -18.188 4.875 1.00 0.00 O ATOM 446 CB ASN A 32 7.987 -20.635 6.017 1.00 0.00 C ATOM 447 CG ASN A 32 7.543 -22.023 6.438 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.117 -22.828 5.611 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.641 -22.308 7.732 1.00 0.00 N ATOM 0 H ASN A 32 6.049 -20.704 3.953 1.00 0.00 H new ATOM 0 HA ASN A 32 6.350 -19.353 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.660 -20.715 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.553 -20.176 6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.357 -23.226 8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.000 -21.609 8.382 1.00 0.00 H new ATOM 456 N SER A 33 6.389 -17.938 4.072 1.00 0.00 N ATOM 457 CA SER A 33 6.730 -16.793 3.235 1.00 0.00 C ATOM 458 C SER A 33 5.472 -16.069 2.766 1.00 0.00 C ATOM 459 O SER A 33 4.384 -16.646 2.737 1.00 0.00 O ATOM 460 CB SER A 33 7.553 -17.245 2.027 1.00 0.00 C ATOM 461 OG SER A 33 8.702 -17.968 2.433 1.00 0.00 O ATOM 0 H SER A 33 5.410 -18.220 4.023 1.00 0.00 H new ATOM 0 HA SER A 33 7.324 -16.102 3.832 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.938 -17.868 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.854 -16.376 1.443 1.00 0.00 H new ATOM 0 HG SER A 33 8.960 -17.692 3.337 1.00 0.00 H new ATOM 467 N LEU A 34 5.629 -14.802 2.400 1.00 0.00 N ATOM 468 CA LEU A 34 4.506 -13.996 1.932 1.00 0.00 C ATOM 469 C LEU A 34 4.980 -12.901 0.981 1.00 0.00 C ATOM 470 O LEU A 34 5.799 -12.057 1.348 1.00 0.00 O ATOM 471 CB LEU A 34 3.770 -13.374 3.119 1.00 0.00 C ATOM 472 CG LEU A 34 2.610 -14.189 3.692 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.261 -13.709 5.093 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.396 -14.105 2.779 1.00 0.00 C ATOM 0 H LEU A 34 6.522 -14.310 2.418 1.00 0.00 H new ATOM 0 HA LEU A 34 3.822 -14.650 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.492 -13.197 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.387 -12.400 2.814 1.00 0.00 H new ATOM 0 HG LEU A 34 2.920 -15.232 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.433 -14.300 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.128 -13.823 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.971 -12.659 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.581 -14.691 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.084 -13.065 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.652 -14.499 1.795 1.00 0.00 H new ATOM 486 N THR A 35 4.459 -12.920 -0.241 1.00 0.00 N ATOM 487 CA THR A 35 4.827 -11.928 -1.244 1.00 0.00 C ATOM 488 C THR A 35 3.690 -10.942 -1.487 1.00 0.00 C ATOM 489 O THR A 35 2.580 -11.336 -1.846 1.00 0.00 O ATOM 490 CB THR A 35 5.207 -12.595 -2.580 1.00 0.00 C ATOM 491 OG1 THR A 35 6.117 -13.676 -2.347 1.00 0.00 O ATOM 492 CG2 THR A 35 5.842 -11.587 -3.526 1.00 0.00 C ATOM 0 H THR A 35 3.781 -13.611 -0.561 1.00 0.00 H new ATOM 0 HA THR A 35 5.692 -11.391 -0.854 1.00 0.00 H new ATOM 0 HB THR A 35 4.297 -12.980 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.615 -14.476 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.102 -12.081 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.137 -10.780 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.743 -11.177 -3.070 1.00 0.00 H new ATOM 500 N LEU A 36 3.974 -9.660 -1.289 1.00 0.00 N ATOM 501 CA LEU A 36 2.974 -8.616 -1.487 1.00 0.00 C ATOM 502 C LEU A 36 3.392 -7.667 -2.605 1.00 0.00 C ATOM 503 O LEU A 36 4.476 -7.085 -2.564 1.00 0.00 O ATOM 504 CB LEU A 36 2.762 -7.833 -0.190 1.00 0.00 C ATOM 505 CG LEU A 36 2.410 -8.663 1.045 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.891 -7.968 2.310 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.910 -8.913 1.110 1.00 0.00 C ATOM 0 H LEU A 36 4.888 -9.318 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 36 2.037 -9.094 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.670 -7.269 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.966 -7.106 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 36 2.916 -9.625 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.632 -8.573 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.973 -7.841 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.414 -6.992 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.678 -9.505 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.384 -7.960 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.592 -9.454 0.218 1.00 0.00 H new ATOM 519 N GLN A 37 2.525 -7.514 -3.600 1.00 0.00 N ATOM 520 CA GLN A 37 2.804 -6.634 -4.728 1.00 0.00 C ATOM 521 C GLN A 37 1.857 -5.438 -4.734 1.00 0.00 C ATOM 522 O GLN A 37 0.644 -5.595 -4.593 1.00 0.00 O ATOM 523 CB GLN A 37 2.682 -7.403 -6.045 1.00 0.00 C ATOM 524 CG GLN A 37 3.769 -8.446 -6.243 1.00 0.00 C ATOM 525 CD GLN A 37 3.832 -8.960 -7.668 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.507 -8.242 -8.614 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.253 -10.209 -7.829 1.00 0.00 N ATOM 0 H GLN A 37 1.623 -7.988 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 37 3.824 -6.265 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.709 -7.893 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.714 -6.695 -6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.733 -8.016 -5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.592 -9.282 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.512 -10.769 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.317 -10.609 -8.765 1.00 0.00 H new ATOM 536 N TRP A 38 2.418 -4.246 -4.897 1.00 0.00 N ATOM 537 CA TRP A 38 1.622 -3.024 -4.921 1.00 0.00 C ATOM 538 C TRP A 38 2.007 -2.146 -6.107 1.00 0.00 C ATOM 539 O TRP A 38 3.001 -2.405 -6.787 1.00 0.00 O ATOM 540 CB TRP A 38 1.804 -2.247 -3.616 1.00 0.00 C ATOM 541 CG TRP A 38 3.241 -1.997 -3.269 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.001 -0.927 -3.646 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.089 -2.835 -2.477 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.271 -1.049 -3.136 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.350 -2.211 -2.414 1.00 0.00 C ATOM 546 CE3 TRP A 38 3.906 -4.051 -1.812 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.420 -2.763 -1.715 1.00 0.00 C ATOM 548 CZ3 TRP A 38 4.969 -4.598 -1.119 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.213 -3.954 -1.074 1.00 0.00 C ATOM 0 H TRP A 38 3.420 -4.099 -5.015 1.00 0.00 H new ATOM 0 HA TRP A 38 0.574 -3.305 -5.026 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.285 -1.292 -3.695 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.332 -2.800 -2.804 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.655 -0.105 -4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.031 -0.383 -3.273 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.951 -4.554 -1.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.380 -2.269 -1.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.839 -5.538 -0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.024 -4.407 -0.523 1.00 0.00 H new ATOM 560 N LYS A 39 1.215 -1.108 -6.351 1.00 0.00 N ATOM 561 CA LYS A 39 1.474 -0.190 -7.454 1.00 0.00 C ATOM 562 C LYS A 39 1.811 1.204 -6.935 1.00 0.00 C ATOM 563 O LYS A 39 1.368 1.599 -5.857 1.00 0.00 O ATOM 564 CB LYS A 39 0.258 -0.120 -8.382 1.00 0.00 C ATOM 565 CG LYS A 39 -0.298 -1.482 -8.759 1.00 0.00 C ATOM 566 CD LYS A 39 -1.396 -1.367 -9.803 1.00 0.00 C ATOM 567 CE LYS A 39 -2.709 -0.913 -9.184 1.00 0.00 C ATOM 568 NZ LYS A 39 -3.807 -0.861 -10.188 1.00 0.00 N ATOM 0 H LYS A 39 0.388 -0.881 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 39 2.330 -0.567 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.526 0.462 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.535 0.414 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.506 -2.110 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.691 -1.975 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.093 -0.660 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.537 -2.331 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.985 -1.594 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.578 0.073 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.685 -0.547 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.555 -0.192 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.949 -1.807 -10.596 1.00 0.00 H new ATOM 582 N ALA A 40 2.597 1.944 -7.710 1.00 0.00 N ATOM 583 CA ALA A 40 2.991 3.295 -7.329 1.00 0.00 C ATOM 584 C ALA A 40 1.868 4.291 -7.601 1.00 0.00 C ATOM 585 O ALA A 40 1.260 4.301 -8.671 1.00 0.00 O ATOM 586 CB ALA A 40 4.254 3.706 -8.071 1.00 0.00 C ATOM 0 H ALA A 40 2.973 1.631 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 40 3.195 3.299 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.536 4.717 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.062 3.017 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.070 3.679 -9.145 1.00 0.00 H new ATOM 592 N PRO A 41 1.584 5.149 -6.609 1.00 0.00 N ATOM 593 CA PRO A 41 0.533 6.164 -6.718 1.00 0.00 C ATOM 594 C PRO A 41 0.894 7.270 -7.703 1.00 0.00 C ATOM 595 O PRO A 41 1.809 7.119 -8.513 1.00 0.00 O ATOM 596 CB PRO A 41 0.433 6.725 -5.297 1.00 0.00 C ATOM 597 CG PRO A 41 1.774 6.476 -4.697 1.00 0.00 C ATOM 598 CD PRO A 41 2.268 5.194 -5.306 1.00 0.00 C ATOM 0 HA PRO A 41 -0.401 5.745 -7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.195 7.789 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.353 6.228 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.456 7.298 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.707 6.392 -3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.352 5.195 -5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.014 4.332 -4.689 1.00 0.00 H new ATOM 606 N SER A 42 0.171 8.383 -7.629 1.00 0.00 N ATOM 607 CA SER A 42 0.414 9.513 -8.517 1.00 0.00 C ATOM 608 C SER A 42 1.204 10.606 -7.802 1.00 0.00 C ATOM 609 O SER A 42 0.706 11.239 -6.871 1.00 0.00 O ATOM 610 CB SER A 42 -0.911 10.080 -9.030 1.00 0.00 C ATOM 611 OG SER A 42 -1.354 9.380 -10.180 1.00 0.00 O ATOM 0 H SER A 42 -0.588 8.526 -6.963 1.00 0.00 H new ATOM 0 HA SER A 42 1.002 9.158 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.666 10.014 -8.247 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.790 11.137 -9.268 1.00 0.00 H new ATOM 0 HG SER A 42 -2.203 9.760 -10.487 1.00 0.00 H new ATOM 617 N ASP A 43 2.438 10.820 -8.245 1.00 0.00 N ATOM 618 CA ASP A 43 3.298 11.836 -7.650 1.00 0.00 C ATOM 619 C ASP A 43 2.834 13.237 -8.038 1.00 0.00 C ATOM 620 O ASP A 43 3.386 13.854 -8.948 1.00 0.00 O ATOM 621 CB ASP A 43 4.749 11.627 -8.087 1.00 0.00 C ATOM 622 CG ASP A 43 4.871 11.346 -9.572 1.00 0.00 C ATOM 623 OD1 ASP A 43 4.772 10.164 -9.963 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.065 12.309 -10.343 1.00 0.00 O ATOM 0 H ASP A 43 2.865 10.304 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 43 3.236 11.739 -6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.332 12.514 -7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.178 10.797 -7.526 1.00 0.00 H new ATOM 629 N ASN A 44 1.815 13.731 -7.342 1.00 0.00 N ATOM 630 CA ASN A 44 1.275 15.058 -7.616 1.00 0.00 C ATOM 631 C ASN A 44 2.282 16.142 -7.243 1.00 0.00 C ATOM 632 O ASN A 44 2.613 17.002 -8.058 1.00 0.00 O ATOM 633 CB ASN A 44 -0.029 15.270 -6.843 1.00 0.00 C ATOM 634 CG ASN A 44 -0.894 14.025 -6.816 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.640 13.149 -5.851 1.00 0.00 O flip ATOM 636 ND2 ASN A 44 -1.780 13.853 -7.654 1.00 0.00 N flip ATOM 0 H ASN A 44 1.347 13.233 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 44 1.072 15.127 -8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.202 15.571 -5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.588 16.088 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.940 14.553 -8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.354 13.010 -7.624 1.00 0.00 H new ATOM 643 N GLY A 45 2.766 16.093 -6.005 1.00 0.00 N ATOM 644 CA GLY A 45 3.730 17.075 -5.546 1.00 0.00 C ATOM 645 C GLY A 45 5.116 16.835 -6.111 1.00 0.00 C ATOM 646 O GLY A 45 5.521 17.480 -7.077 1.00 0.00 O ATOM 0 H GLY A 45 2.507 15.390 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.393 18.072 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.776 17.053 -4.457 1.00 0.00 H new ATOM 650 N SER A 46 5.847 15.904 -5.505 1.00 0.00 N ATOM 651 CA SER A 46 7.198 15.584 -5.950 1.00 0.00 C ATOM 652 C SER A 46 7.381 14.075 -6.087 1.00 0.00 C ATOM 653 O SER A 46 6.537 13.293 -5.651 1.00 0.00 O ATOM 654 CB SER A 46 8.227 16.146 -4.968 1.00 0.00 C ATOM 655 OG SER A 46 8.576 17.479 -5.302 1.00 0.00 O ATOM 0 H SER A 46 5.526 15.359 -4.705 1.00 0.00 H new ATOM 0 HA SER A 46 7.351 16.042 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.823 16.115 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.120 15.521 -4.974 1.00 0.00 H new ATOM 0 HG SER A 46 9.234 17.816 -4.658 1.00 0.00 H new ATOM 661 N LYS A 47 8.491 13.674 -6.697 1.00 0.00 N ATOM 662 CA LYS A 47 8.789 12.260 -6.893 1.00 0.00 C ATOM 663 C LYS A 47 8.840 11.525 -5.557 1.00 0.00 C ATOM 664 O LYS A 47 9.536 11.947 -4.633 1.00 0.00 O ATOM 665 CB LYS A 47 10.120 12.095 -7.629 1.00 0.00 C ATOM 666 CG LYS A 47 11.313 12.631 -6.857 1.00 0.00 C ATOM 667 CD LYS A 47 12.461 12.992 -7.784 1.00 0.00 C ATOM 668 CE LYS A 47 13.220 11.756 -8.240 1.00 0.00 C ATOM 669 NZ LYS A 47 14.168 11.271 -7.199 1.00 0.00 N ATOM 0 H LYS A 47 9.200 14.309 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 47 7.991 11.826 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.280 11.038 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.060 12.606 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.013 13.511 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.647 11.884 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.074 13.524 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.143 13.671 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.512 10.964 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.769 11.984 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.666 10.427 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.860 12.017 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.641 11.029 -6.335 1.00 0.00 H new ATOM 683 N ILE A 48 8.102 10.425 -5.464 1.00 0.00 N ATOM 684 CA ILE A 48 8.066 9.630 -4.242 1.00 0.00 C ATOM 685 C ILE A 48 9.433 9.026 -3.939 1.00 0.00 C ATOM 686 O ILE A 48 9.874 8.097 -4.615 1.00 0.00 O ATOM 687 CB ILE A 48 7.026 8.499 -4.336 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.633 9.077 -4.597 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.030 7.668 -3.062 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.683 8.094 -5.244 1.00 0.00 C ATOM 0 H ILE A 48 7.521 10.063 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 48 7.783 10.305 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 48 7.292 7.850 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.206 9.415 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.727 9.954 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.289 6.873 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.018 7.231 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.786 8.305 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.716 8.571 -5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.088 7.774 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.560 7.227 -4.595 1.00 0.00 H new ATOM 702 N GLN A 49 10.096 9.558 -2.918 1.00 0.00 N ATOM 703 CA GLN A 49 11.412 9.069 -2.525 1.00 0.00 C ATOM 704 C GLN A 49 11.458 7.545 -2.551 1.00 0.00 C ATOM 705 O GLN A 49 12.104 6.948 -3.411 1.00 0.00 O ATOM 706 CB GLN A 49 11.772 9.578 -1.128 1.00 0.00 C ATOM 707 CG GLN A 49 11.936 11.087 -1.054 1.00 0.00 C ATOM 708 CD GLN A 49 11.813 11.619 0.361 1.00 0.00 C ATOM 709 OE1 GLN A 49 10.976 11.159 1.138 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.648 12.593 0.702 1.00 0.00 N ATOM 0 H GLN A 49 9.744 10.327 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 49 12.141 9.448 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.996 9.270 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.699 9.104 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.910 11.363 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.183 11.562 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.326 12.944 0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.612 12.991 1.641 1.00 0.00 H new ATOM 719 N ASN A 50 10.767 6.921 -1.603 1.00 0.00 N ATOM 720 CA ASN A 50 10.729 5.466 -1.517 1.00 0.00 C ATOM 721 C ASN A 50 9.432 4.992 -0.868 1.00 0.00 C ATOM 722 O ASN A 50 8.696 5.783 -0.276 1.00 0.00 O ATOM 723 CB ASN A 50 11.929 4.950 -0.720 1.00 0.00 C ATOM 724 CG ASN A 50 12.378 5.929 0.347 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.442 6.366 1.181 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.554 6.286 0.421 1.00 0.00 N flip ATOM 0 H ASN A 50 10.226 7.400 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 50 10.774 5.066 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.670 4.000 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.757 4.754 -1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.240 5.924 -0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.843 6.944 1.145 1.00 0.00 H new ATOM 733 N PHE A 51 9.157 3.697 -0.982 1.00 0.00 N ATOM 734 CA PHE A 51 7.949 3.118 -0.406 1.00 0.00 C ATOM 735 C PHE A 51 8.212 2.601 1.005 1.00 0.00 C ATOM 736 O PHE A 51 9.213 1.929 1.255 1.00 0.00 O ATOM 737 CB PHE A 51 7.432 1.981 -1.290 1.00 0.00 C ATOM 738 CG PHE A 51 6.798 2.454 -2.566 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.638 3.213 -2.539 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.361 2.142 -3.793 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.052 3.649 -3.712 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.779 2.576 -4.970 1.00 0.00 C ATOM 743 CZ PHE A 51 5.623 3.331 -4.929 1.00 0.00 C ATOM 0 H PHE A 51 9.755 3.028 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 51 7.192 3.900 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.260 1.314 -1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.704 1.396 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.187 3.466 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.265 1.553 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.148 4.238 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.228 2.325 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.167 3.672 -5.846 1.00 0.00 H new ATOM 753 N VAL A 52 7.307 2.921 1.924 1.00 0.00 N ATOM 754 CA VAL A 52 7.440 2.489 3.311 1.00 0.00 C ATOM 755 C VAL A 52 6.357 1.481 3.679 1.00 0.00 C ATOM 756 O VAL A 52 5.174 1.821 3.744 1.00 0.00 O ATOM 757 CB VAL A 52 7.365 3.684 4.280 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.403 3.204 5.723 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.496 4.663 4.006 1.00 0.00 C ATOM 0 H VAL A 52 6.474 3.478 1.734 1.00 0.00 H new ATOM 0 HA VAL A 52 8.418 2.017 3.403 1.00 0.00 H new ATOM 0 HB VAL A 52 6.419 4.202 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.349 4.062 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.556 2.544 5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.331 2.662 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.428 5.501 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.453 4.159 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.419 5.031 2.983 1.00 0.00 H new ATOM 769 N LEU A 53 6.767 0.241 3.919 1.00 0.00 N ATOM 770 CA LEU A 53 5.832 -0.818 4.282 1.00 0.00 C ATOM 771 C LEU A 53 5.930 -1.146 5.768 1.00 0.00 C ATOM 772 O LEU A 53 6.984 -0.981 6.381 1.00 0.00 O ATOM 773 CB LEU A 53 6.105 -2.073 3.452 1.00 0.00 C ATOM 774 CG LEU A 53 5.249 -3.296 3.783 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.861 -3.157 3.176 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.923 -4.568 3.290 1.00 0.00 C ATOM 0 H LEU A 53 7.741 -0.056 3.869 1.00 0.00 H new ATOM 0 HA LEU A 53 4.822 -0.464 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.960 -1.827 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.154 -2.344 3.575 1.00 0.00 H new ATOM 0 HG LEU A 53 5.145 -3.360 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.266 -4.037 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.376 -2.267 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.945 -3.067 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.300 -5.428 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.058 -4.513 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.895 -4.675 3.772 1.00 0.00 H new ATOM 788 N GLU A 54 4.825 -1.612 6.340 1.00 0.00 N ATOM 789 CA GLU A 54 4.788 -1.965 7.755 1.00 0.00 C ATOM 790 C GLU A 54 3.847 -3.141 7.998 1.00 0.00 C ATOM 791 O GLU A 54 2.944 -3.402 7.203 1.00 0.00 O ATOM 792 CB GLU A 54 4.345 -0.762 8.591 1.00 0.00 C ATOM 793 CG GLU A 54 5.481 0.180 8.952 1.00 0.00 C ATOM 794 CD GLU A 54 5.942 1.015 7.774 1.00 0.00 C ATOM 795 OE1 GLU A 54 5.174 1.137 6.797 1.00 0.00 O ATOM 796 OE2 GLU A 54 7.071 1.547 7.828 1.00 0.00 O ATOM 0 H GLU A 54 3.944 -1.754 5.846 1.00 0.00 H new ATOM 0 HA GLU A 54 5.793 -2.259 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.586 -0.207 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.876 -1.120 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.159 0.841 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.322 -0.400 9.333 1.00 0.00 H new ATOM 803 N TRP A 55 4.067 -3.848 9.101 1.00 0.00 N ATOM 804 CA TRP A 55 3.240 -4.998 9.449 1.00 0.00 C ATOM 805 C TRP A 55 3.299 -5.277 10.947 1.00 0.00 C ATOM 806 O TRP A 55 4.148 -4.737 11.655 1.00 0.00 O ATOM 807 CB TRP A 55 3.694 -6.233 8.670 1.00 0.00 C ATOM 808 CG TRP A 55 4.990 -6.803 9.162 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.046 -6.110 9.680 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.366 -8.185 9.180 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.056 -6.977 10.019 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.664 -8.255 9.723 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.733 -9.368 8.792 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.338 -9.463 9.885 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.403 -10.566 8.953 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.694 -10.606 9.497 1.00 0.00 C ATOM 0 H TRP A 55 4.811 -3.645 9.769 1.00 0.00 H new ATOM 0 HA TRP A 55 2.209 -4.767 9.181 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.921 -6.999 8.734 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.797 -5.972 7.617 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.082 -5.038 9.805 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.953 -6.712 10.426 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.738 -9.347 8.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.334 -9.496 10.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.924 -11.487 8.655 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.190 -11.558 9.612 1.00 0.00 H new ATOM 827 N ASP A 56 2.391 -6.123 11.423 1.00 0.00 N ATOM 828 CA ASP A 56 2.341 -6.474 12.837 1.00 0.00 C ATOM 829 C ASP A 56 3.049 -7.801 13.092 1.00 0.00 C ATOM 830 O ASP A 56 2.687 -8.543 14.006 1.00 0.00 O ATOM 831 CB ASP A 56 0.890 -6.556 13.313 1.00 0.00 C ATOM 832 CG ASP A 56 0.208 -7.837 12.875 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.246 -8.146 11.665 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.362 -8.532 13.741 1.00 0.00 O ATOM 0 H ASP A 56 1.680 -6.578 10.850 1.00 0.00 H new ATOM 0 HA ASP A 56 2.855 -5.694 13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.863 -6.487 14.400 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.335 -5.702 12.926 1.00 0.00 H new ATOM 839 N GLU A 57 4.059 -8.094 12.279 1.00 0.00 N ATOM 840 CA GLU A 57 4.815 -9.333 12.416 1.00 0.00 C ATOM 841 C GLU A 57 3.890 -10.502 12.744 1.00 0.00 C ATOM 842 O GLU A 57 4.285 -11.449 13.422 1.00 0.00 O ATOM 843 CB GLU A 57 5.878 -9.189 13.507 1.00 0.00 C ATOM 844 CG GLU A 57 7.067 -8.340 13.091 1.00 0.00 C ATOM 845 CD GLU A 57 8.322 -8.667 13.876 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.815 -9.809 13.759 1.00 0.00 O ATOM 847 OE2 GLU A 57 8.812 -7.781 14.607 1.00 0.00 O ATOM 0 H GLU A 57 4.372 -7.490 11.519 1.00 0.00 H new ATOM 0 HA GLU A 57 5.306 -9.536 11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.420 -8.748 14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.232 -10.180 13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.259 -8.487 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.822 -7.287 13.228 1.00 0.00 H new ATOM 854 N GLY A 58 2.655 -10.427 12.256 1.00 0.00 N ATOM 855 CA GLY A 58 1.693 -11.483 12.507 1.00 0.00 C ATOM 856 C GLY A 58 1.633 -11.877 13.969 1.00 0.00 C ATOM 857 O GLY A 58 1.689 -13.061 14.304 1.00 0.00 O ATOM 0 H GLY A 58 2.304 -9.653 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.706 -11.156 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.953 -12.356 11.909 1.00 0.00 H new ATOM 861 N LYS A 59 1.520 -10.883 14.844 1.00 0.00 N ATOM 862 CA LYS A 59 1.453 -11.131 16.279 1.00 0.00 C ATOM 863 C LYS A 59 0.008 -11.112 16.768 1.00 0.00 C ATOM 864 O LYS A 59 -0.445 -12.042 17.434 1.00 0.00 O ATOM 865 CB LYS A 59 2.272 -10.084 17.037 1.00 0.00 C ATOM 866 CG LYS A 59 3.755 -10.407 17.108 1.00 0.00 C ATOM 867 CD LYS A 59 4.081 -11.272 18.313 1.00 0.00 C ATOM 868 CE LYS A 59 5.368 -12.055 18.106 1.00 0.00 C ATOM 869 NZ LYS A 59 5.594 -13.048 19.193 1.00 0.00 N ATOM 0 H LYS A 59 1.473 -9.898 14.584 1.00 0.00 H new ATOM 0 HA LYS A 59 1.870 -12.119 16.471 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.142 -9.115 16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.880 -9.992 18.050 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.060 -10.921 16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.328 -9.481 17.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.175 -10.643 19.199 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.259 -11.964 18.499 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.329 -12.570 17.146 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.210 -11.365 18.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.481 -13.561 19.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.656 -12.555 20.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.803 -13.723 19.217 1.00 0.00 H new ATOM 883 N GLY A 60 -0.712 -10.046 16.431 1.00 0.00 N ATOM 884 CA GLY A 60 -2.099 -9.926 16.842 1.00 0.00 C ATOM 885 C GLY A 60 -2.276 -8.985 18.017 1.00 0.00 C ATOM 886 O GLY A 60 -3.042 -9.267 18.937 1.00 0.00 O ATOM 0 H GLY A 60 -0.359 -9.263 15.880 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.694 -9.569 16.002 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.482 -10.911 17.108 1.00 0.00 H new ATOM 890 N ASN A 61 -1.563 -7.863 17.987 1.00 0.00 N ATOM 891 CA ASN A 61 -1.644 -6.877 19.059 1.00 0.00 C ATOM 892 C ASN A 61 -2.106 -5.526 18.522 1.00 0.00 C ATOM 893 O ASN A 61 -2.929 -4.850 19.138 1.00 0.00 O ATOM 894 CB ASN A 61 -0.285 -6.728 19.746 1.00 0.00 C ATOM 895 CG ASN A 61 0.457 -8.046 19.852 1.00 0.00 C ATOM 896 OD1 ASN A 61 -0.121 -9.069 20.218 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.746 -8.027 19.530 1.00 0.00 N ATOM 0 H ASN A 61 -0.923 -7.614 17.233 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.376 -7.228 19.787 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.324 -6.015 19.190 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.429 -6.314 20.744 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.297 -8.884 19.581 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.184 -7.156 19.232 1.00 0.00 H new ATOM 904 N GLY A 62 -1.570 -5.140 17.368 1.00 0.00 N ATOM 905 CA GLY A 62 -1.940 -3.872 16.766 1.00 0.00 C ATOM 906 C GLY A 62 -0.781 -2.895 16.714 1.00 0.00 C ATOM 907 O GLY A 62 -0.976 -1.685 16.823 1.00 0.00 O ATOM 0 H GLY A 62 -0.887 -5.682 16.840 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.309 -4.047 15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.759 -3.429 17.333 1.00 0.00 H new ATOM 911 N GLU A 63 0.428 -3.422 16.549 1.00 0.00 N ATOM 912 CA GLU A 63 1.622 -2.588 16.485 1.00 0.00 C ATOM 913 C GLU A 63 2.315 -2.732 15.133 1.00 0.00 C ATOM 914 O GLU A 63 2.888 -3.778 14.825 1.00 0.00 O ATOM 915 CB GLU A 63 2.591 -2.959 17.610 1.00 0.00 C ATOM 916 CG GLU A 63 2.258 -2.305 18.940 1.00 0.00 C ATOM 917 CD GLU A 63 2.847 -0.914 19.071 1.00 0.00 C ATOM 918 OE1 GLU A 63 2.692 -0.114 18.124 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.462 -0.625 20.118 1.00 0.00 O ATOM 0 H GLU A 63 0.606 -4.422 16.457 1.00 0.00 H new ATOM 0 HA GLU A 63 1.315 -1.549 16.607 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.590 -4.042 17.737 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.601 -2.673 17.317 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.175 -2.249 19.052 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.630 -2.931 19.751 1.00 0.00 H new ATOM 926 N PHE A 64 2.259 -1.675 14.330 1.00 0.00 N ATOM 927 CA PHE A 64 2.879 -1.683 13.011 1.00 0.00 C ATOM 928 C PHE A 64 4.241 -0.995 13.046 1.00 0.00 C ATOM 929 O PHE A 64 4.355 0.157 13.467 1.00 0.00 O ATOM 930 CB PHE A 64 1.971 -0.990 11.992 1.00 0.00 C ATOM 931 CG PHE A 64 0.797 -1.826 11.570 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.316 -1.943 12.387 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.806 -2.495 10.357 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.398 -2.712 12.001 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.273 -3.265 9.965 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.377 -3.373 10.789 1.00 0.00 C ATOM 0 H PHE A 64 1.790 -0.802 14.570 1.00 0.00 H new ATOM 0 HA PHE A 64 3.023 -2.721 12.712 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.607 -0.055 12.418 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.558 -0.731 11.111 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.338 -1.428 13.336 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.667 -2.414 9.710 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.259 -2.796 12.647 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.253 -3.781 9.017 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.222 -3.973 10.486 1.00 0.00 H new ATOM 946 N CYS A 65 5.269 -1.709 12.601 1.00 0.00 N ATOM 947 CA CYS A 65 6.624 -1.168 12.582 1.00 0.00 C ATOM 948 C CYS A 65 7.273 -1.376 11.218 1.00 0.00 C ATOM 949 O CYS A 65 6.938 -2.316 10.498 1.00 0.00 O ATOM 950 CB CYS A 65 7.473 -1.827 13.670 1.00 0.00 C ATOM 951 SG CYS A 65 8.767 -0.759 14.345 1.00 0.00 S ATOM 0 H CYS A 65 5.191 -2.663 12.249 1.00 0.00 H new ATOM 0 HA CYS A 65 6.564 -0.097 12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.820 -2.146 14.482 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.935 -2.725 13.261 1.00 0.00 H new ATOM 0 HG CYS A 65 9.429 -1.404 15.259 1.00 0.00 H new ATOM 957 N GLN A 66 8.201 -0.491 10.870 1.00 0.00 N ATOM 958 CA GLN A 66 8.895 -0.576 9.590 1.00 0.00 C ATOM 959 C GLN A 66 9.136 -2.030 9.197 1.00 0.00 C ATOM 960 O GLN A 66 9.712 -2.803 9.964 1.00 0.00 O ATOM 961 CB GLN A 66 10.227 0.174 9.657 1.00 0.00 C ATOM 962 CG GLN A 66 10.661 0.765 8.325 1.00 0.00 C ATOM 963 CD GLN A 66 11.837 1.711 8.462 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.394 1.875 9.548 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.222 2.340 7.358 1.00 0.00 N ATOM 0 H GLN A 66 8.490 0.293 11.456 1.00 0.00 H new ATOM 0 HA GLN A 66 8.263 -0.113 8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.147 0.975 10.391 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.000 -0.507 10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.927 -0.043 7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.822 1.297 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.732 2.174 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.008 2.989 7.389 1.00 0.00 H new ATOM 974 N CYS A 67 8.692 -2.395 8.000 1.00 0.00 N ATOM 975 CA CYS A 67 8.858 -3.757 7.505 1.00 0.00 C ATOM 976 C CYS A 67 9.761 -3.783 6.277 1.00 0.00 C ATOM 977 O CYS A 67 10.597 -4.675 6.127 1.00 0.00 O ATOM 978 CB CYS A 67 7.497 -4.368 7.166 1.00 0.00 C ATOM 979 SG CYS A 67 7.565 -6.119 6.720 1.00 0.00 S ATOM 0 H CYS A 67 8.214 -1.767 7.354 1.00 0.00 H new ATOM 0 HA CYS A 67 9.328 -4.348 8.291 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.833 -4.248 8.022 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.056 -3.810 6.340 1.00 0.00 H new ATOM 0 HG CYS A 67 7.076 -6.833 7.690 1.00 0.00 H new ATOM 985 N TYR A 68 9.586 -2.801 5.400 1.00 0.00 N ATOM 986 CA TYR A 68 10.383 -2.713 4.181 1.00 0.00 C ATOM 987 C TYR A 68 10.417 -1.282 3.655 1.00 0.00 C ATOM 988 O TYR A 68 9.379 -0.637 3.511 1.00 0.00 O ATOM 989 CB TYR A 68 9.819 -3.649 3.110 1.00 0.00 C ATOM 990 CG TYR A 68 10.638 -3.678 1.840 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.402 -2.767 0.817 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.649 -4.614 1.663 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.148 -2.790 -0.346 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.401 -4.644 0.504 1.00 0.00 C ATOM 995 CZ TYR A 68 12.146 -3.730 -0.498 1.00 0.00 C ATOM 996 OH TYR A 68 12.891 -3.755 -1.654 1.00 0.00 O ATOM 0 H TYR A 68 8.900 -2.055 5.510 1.00 0.00 H new ATOM 0 HA TYR A 68 11.402 -3.017 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.759 -4.658 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.801 -3.341 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.622 -2.029 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 68 11.851 -5.331 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.951 -2.076 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.184 -5.378 0.383 1.00 0.00 H new ATOM 0 HH TYR A 68 13.553 -4.476 -1.601 1.00 0.00 H new ATOM 1006 N MET A 69 11.619 -0.792 3.369 1.00 0.00 N ATOM 1007 CA MET A 69 11.790 0.562 2.856 1.00 0.00 C ATOM 1008 C MET A 69 12.826 0.593 1.737 1.00 0.00 C ATOM 1009 O MET A 69 14.020 0.424 1.978 1.00 0.00 O ATOM 1010 CB MET A 69 12.211 1.508 3.983 1.00 0.00 C ATOM 1011 CG MET A 69 12.618 2.889 3.496 1.00 0.00 C ATOM 1012 SD MET A 69 13.149 3.969 4.839 1.00 0.00 S ATOM 1013 CE MET A 69 12.888 5.580 4.100 1.00 0.00 C ATOM 0 H MET A 69 12.489 -1.312 3.484 1.00 0.00 H new ATOM 0 HA MET A 69 10.834 0.894 2.451 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.387 1.609 4.689 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.044 1.063 4.527 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.427 2.791 2.772 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.778 3.349 2.975 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.172 6.356 4.810 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.497 5.671 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.836 5.694 3.839 1.00 0.00 H new ATOM 1023 N GLY A 70 12.360 0.810 0.510 1.00 0.00 N ATOM 1024 CA GLY A 70 13.259 0.859 -0.627 1.00 0.00 C ATOM 1025 C GLY A 70 12.591 1.409 -1.872 1.00 0.00 C ATOM 1026 O GLY A 70 11.822 2.367 -1.799 1.00 0.00 O ATOM 0 H GLY A 70 11.376 0.953 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.121 1.477 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.634 -0.143 -0.833 1.00 0.00 H new ATOM 1030 N SER A 71 12.887 0.804 -3.017 1.00 0.00 N ATOM 1031 CA SER A 71 12.314 1.243 -4.284 1.00 0.00 C ATOM 1032 C SER A 71 11.312 0.219 -4.811 1.00 0.00 C ATOM 1033 O SER A 71 10.173 0.558 -5.131 1.00 0.00 O ATOM 1034 CB SER A 71 13.419 1.470 -5.317 1.00 0.00 C ATOM 1035 OG SER A 71 12.877 1.649 -6.614 1.00 0.00 O ATOM 0 H SER A 71 13.520 0.008 -3.094 1.00 0.00 H new ATOM 0 HA SER A 71 11.790 2.183 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.005 2.346 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.100 0.619 -5.318 1.00 0.00 H new ATOM 0 HG SER A 71 13.604 1.794 -7.255 1.00 0.00 H new ATOM 1041 N GLN A 72 11.747 -1.034 -4.898 1.00 0.00 N ATOM 1042 CA GLN A 72 10.890 -2.107 -5.387 1.00 0.00 C ATOM 1043 C GLN A 72 9.463 -1.941 -4.873 1.00 0.00 C ATOM 1044 O GLN A 72 9.237 -1.351 -3.816 1.00 0.00 O ATOM 1045 CB GLN A 72 11.444 -3.467 -4.957 1.00 0.00 C ATOM 1046 CG GLN A 72 12.467 -4.040 -5.925 1.00 0.00 C ATOM 1047 CD GLN A 72 11.898 -4.260 -7.313 1.00 0.00 C ATOM 1048 OE1 GLN A 72 10.695 -4.119 -7.533 1.00 0.00 O ATOM 1049 NE2 GLN A 72 12.763 -4.608 -8.258 1.00 0.00 N ATOM 0 H GLN A 72 12.687 -1.331 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 72 10.873 -2.057 -6.476 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.902 -3.369 -3.973 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.618 -4.171 -4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.320 -3.364 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.840 -4.987 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.752 -4.713 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.439 -4.770 -9.211 1.00 0.00 H new ATOM 1058 N LYS A 73 8.503 -2.463 -5.628 1.00 0.00 N ATOM 1059 CA LYS A 73 7.098 -2.374 -5.250 1.00 0.00 C ATOM 1060 C LYS A 73 6.594 -3.709 -4.711 1.00 0.00 C ATOM 1061 O LYS A 73 5.389 -3.918 -4.574 1.00 0.00 O ATOM 1062 CB LYS A 73 6.251 -1.945 -6.451 1.00 0.00 C ATOM 1063 CG LYS A 73 6.611 -0.571 -6.989 1.00 0.00 C ATOM 1064 CD LYS A 73 5.700 -0.165 -8.135 1.00 0.00 C ATOM 1065 CE LYS A 73 6.253 -0.621 -9.476 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.169 -0.886 -10.462 1.00 0.00 N ATOM 0 H LYS A 73 8.673 -2.953 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 73 7.007 -1.626 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.367 -2.680 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.200 -1.949 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.539 0.165 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.647 -0.572 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.710 -0.595 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.580 0.918 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.924 0.142 -9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.846 -1.525 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.587 -1.195 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.543 -1.632 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.619 -0.017 -10.615 1.00 0.00 H new ATOM 1080 N GLN A 74 7.524 -4.608 -4.405 1.00 0.00 N ATOM 1081 CA GLN A 74 7.173 -5.922 -3.879 1.00 0.00 C ATOM 1082 C GLN A 74 8.215 -6.403 -2.875 1.00 0.00 C ATOM 1083 O GLN A 74 9.413 -6.182 -3.055 1.00 0.00 O ATOM 1084 CB GLN A 74 7.041 -6.932 -5.020 1.00 0.00 C ATOM 1085 CG GLN A 74 8.340 -7.648 -5.351 1.00 0.00 C ATOM 1086 CD GLN A 74 8.149 -8.773 -6.349 1.00 0.00 C ATOM 1087 OE1 GLN A 74 7.068 -8.705 -7.118 1.00 0.00 O flip ATOM 1088 NE2 GLN A 74 8.963 -9.694 -6.428 1.00 0.00 N flip ATOM 0 H GLN A 74 8.526 -4.450 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 74 6.215 -5.837 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.286 -7.671 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.683 -6.416 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.054 -6.929 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.772 -8.050 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.780 -9.706 -5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.820 -10.444 -7.104 1.00 0.00 H new ATOM 1097 N PHE A 75 7.751 -7.061 -1.818 1.00 0.00 N ATOM 1098 CA PHE A 75 8.643 -7.573 -0.784 1.00 0.00 C ATOM 1099 C PHE A 75 8.160 -8.926 -0.270 1.00 0.00 C ATOM 1100 O PHE A 75 7.053 -9.044 0.255 1.00 0.00 O ATOM 1101 CB PHE A 75 8.739 -6.578 0.374 1.00 0.00 C ATOM 1102 CG PHE A 75 9.426 -7.136 1.588 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.637 -7.799 1.471 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.861 -6.997 2.845 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.271 -8.314 2.587 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.490 -7.510 3.964 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.697 -8.168 3.835 1.00 0.00 C ATOM 0 H PHE A 75 6.762 -7.252 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 75 9.632 -7.704 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.277 -5.692 0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.735 -6.256 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.091 -7.915 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.918 -6.482 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.214 -8.830 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.038 -7.396 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.191 -8.568 4.708 1.00 0.00 H new ATOM 1117 N LYS A 76 8.999 -9.945 -0.424 1.00 0.00 N ATOM 1118 CA LYS A 76 8.660 -11.290 0.025 1.00 0.00 C ATOM 1119 C LYS A 76 9.202 -11.548 1.427 1.00 0.00 C ATOM 1120 O LYS A 76 10.402 -11.753 1.611 1.00 0.00 O ATOM 1121 CB LYS A 76 9.219 -12.330 -0.949 1.00 0.00 C ATOM 1122 CG LYS A 76 9.161 -13.752 -0.418 1.00 0.00 C ATOM 1123 CD LYS A 76 9.403 -14.769 -1.521 1.00 0.00 C ATOM 1124 CE LYS A 76 9.374 -16.192 -0.983 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.139 -17.128 -1.852 1.00 0.00 N ATOM 0 H LYS A 76 9.919 -9.865 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 76 7.574 -11.374 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.661 -12.277 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.254 -12.079 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.908 -13.879 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.187 -13.932 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.644 -14.656 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.368 -14.576 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.791 -16.208 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.341 -16.530 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.096 -18.087 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.726 -17.132 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.131 -16.820 -1.905 1.00 0.00 H new ATOM 1139 N ILE A 77 8.310 -11.538 2.412 1.00 0.00 N ATOM 1140 CA ILE A 77 8.699 -11.774 3.797 1.00 0.00 C ATOM 1141 C ILE A 77 8.846 -13.265 4.080 1.00 0.00 C ATOM 1142 O ILE A 77 7.860 -14.000 4.128 1.00 0.00 O ATOM 1143 CB ILE A 77 7.675 -11.175 4.779 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.691 -9.647 4.699 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.967 -11.639 6.198 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.354 -9.011 5.010 1.00 0.00 C ATOM 0 H ILE A 77 7.313 -11.369 2.277 1.00 0.00 H new ATOM 0 HA ILE A 77 9.661 -11.282 3.943 1.00 0.00 H new ATOM 0 HB ILE A 77 6.681 -11.524 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.437 -9.263 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.003 -9.347 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.235 -11.207 6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.909 -12.726 6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.967 -11.316 6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.440 -7.927 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.608 -9.366 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.049 -9.281 6.021 1.00 0.00 H new ATOM 1158 N THR A 78 10.086 -13.706 4.269 1.00 0.00 N ATOM 1159 CA THR A 78 10.364 -15.109 4.549 1.00 0.00 C ATOM 1160 C THR A 78 10.476 -15.359 6.048 1.00 0.00 C ATOM 1161 O THR A 78 10.265 -14.455 6.857 1.00 0.00 O ATOM 1162 CB THR A 78 11.664 -15.571 3.864 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.721 -14.646 4.144 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.471 -15.689 2.360 1.00 0.00 C ATOM 0 H THR A 78 10.914 -13.111 4.233 1.00 0.00 H new ATOM 0 HA THR A 78 9.528 -15.683 4.150 1.00 0.00 H new ATOM 0 HB THR A 78 11.927 -16.553 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.544 -14.948 3.706 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.402 -16.017 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.686 -16.416 2.150 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.186 -14.719 1.953 1.00 0.00 H new ATOM 1172 N LYS A 79 10.811 -16.592 6.415 1.00 0.00 N ATOM 1173 CA LYS A 79 10.953 -16.961 7.818 1.00 0.00 C ATOM 1174 C LYS A 79 9.645 -16.746 8.573 1.00 0.00 C ATOM 1175 O LYS A 79 9.617 -16.080 9.609 1.00 0.00 O ATOM 1176 CB LYS A 79 12.072 -16.146 8.470 1.00 0.00 C ATOM 1177 CG LYS A 79 13.466 -16.618 8.096 1.00 0.00 C ATOM 1178 CD LYS A 79 14.475 -16.295 9.186 1.00 0.00 C ATOM 1179 CE LYS A 79 15.863 -16.065 8.609 1.00 0.00 C ATOM 1180 NZ LYS A 79 16.821 -15.584 9.644 1.00 0.00 N ATOM 0 H LYS A 79 10.989 -17.353 5.759 1.00 0.00 H new ATOM 0 HA LYS A 79 11.208 -18.020 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.963 -15.100 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.960 -16.193 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.452 -17.693 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.773 -16.146 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.154 -15.406 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.510 -17.113 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.234 -16.993 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.804 -15.335 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.756 -15.439 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.480 -14.685 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.897 -16.291 10.403 1.00 0.00 H new ATOM 1194 N LEU A 80 8.565 -17.313 8.049 1.00 0.00 N ATOM 1195 CA LEU A 80 7.253 -17.184 8.675 1.00 0.00 C ATOM 1196 C LEU A 80 6.649 -18.556 8.961 1.00 0.00 C ATOM 1197 O LEU A 80 7.278 -19.585 8.717 1.00 0.00 O ATOM 1198 CB LEU A 80 6.314 -16.379 7.775 1.00 0.00 C ATOM 1199 CG LEU A 80 6.736 -14.938 7.483 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.691 -14.238 6.629 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.966 -14.176 8.780 1.00 0.00 C ATOM 0 H LEU A 80 8.571 -17.867 7.192 1.00 0.00 H new ATOM 0 HA LEU A 80 7.379 -16.658 9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.212 -16.906 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.327 -16.361 8.237 1.00 0.00 H new ATOM 0 HG LEU A 80 7.673 -14.960 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.009 -13.214 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.576 -14.771 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.738 -14.227 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.266 -13.153 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.045 -14.163 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.752 -14.665 9.355 1.00 0.00 H new ATOM 1213 N SER A 81 5.425 -18.561 9.478 1.00 0.00 N ATOM 1214 CA SER A 81 4.736 -19.805 9.799 1.00 0.00 C ATOM 1215 C SER A 81 3.352 -19.841 9.158 1.00 0.00 C ATOM 1216 O SER A 81 2.724 -18.810 8.917 1.00 0.00 O ATOM 1217 CB SER A 81 4.613 -19.969 11.315 1.00 0.00 C ATOM 1218 OG SER A 81 4.155 -18.773 11.921 1.00 0.00 O ATOM 0 H SER A 81 4.890 -17.717 9.684 1.00 0.00 H new ATOM 0 HA SER A 81 5.324 -20.631 9.398 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.924 -20.782 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.581 -20.245 11.734 1.00 0.00 H new ATOM 0 HG SER A 81 4.083 -18.904 12.890 1.00 0.00 H new ATOM 1224 N PRO A 82 2.863 -21.058 8.875 1.00 0.00 N ATOM 1225 CA PRO A 82 1.548 -21.259 8.260 1.00 0.00 C ATOM 1226 C PRO A 82 0.405 -20.912 9.207 1.00 0.00 C ATOM 1227 O PRO A 82 0.513 -21.097 10.419 1.00 0.00 O ATOM 1228 CB PRO A 82 1.535 -22.754 7.931 1.00 0.00 C ATOM 1229 CG PRO A 82 2.488 -23.363 8.900 1.00 0.00 C ATOM 1230 CD PRO A 82 3.556 -22.331 9.136 1.00 0.00 C ATOM 0 HA PRO A 82 1.402 -20.616 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.536 -23.175 8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.846 -22.936 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.985 -23.623 9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.916 -24.283 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.942 -22.377 10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.405 -22.471 8.467 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.691 -20.409 8.647 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.855 -20.039 9.442 1.00 0.00 C ATOM 1240 C ALA A 83 -1.525 -18.900 10.400 1.00 0.00 C ATOM 1241 O ALA A 83 -2.028 -18.855 11.523 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.373 -21.245 10.212 1.00 0.00 C ATOM 0 H ALA A 83 -0.796 -20.249 7.645 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.634 -19.694 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.242 -20.954 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.656 -22.030 9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.592 -21.616 10.876 1.00 0.00 H new ATOM 1248 N MET A 84 -0.677 -17.981 9.950 1.00 0.00 N ATOM 1249 CA MET A 84 -0.281 -16.840 10.768 1.00 0.00 C ATOM 1250 C MET A 84 -0.841 -15.541 10.198 1.00 0.00 C ATOM 1251 O MET A 84 -0.214 -14.902 9.354 1.00 0.00 O ATOM 1252 CB MET A 84 1.244 -16.756 10.860 1.00 0.00 C ATOM 1253 CG MET A 84 1.741 -15.525 11.601 1.00 0.00 C ATOM 1254 SD MET A 84 3.531 -15.334 11.507 1.00 0.00 S ATOM 1255 CE MET A 84 3.673 -14.099 10.217 1.00 0.00 C ATOM 0 H MET A 84 -0.251 -18.004 9.024 1.00 0.00 H new ATOM 0 HA MET A 84 -0.690 -16.982 11.768 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.619 -17.648 11.361 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.661 -16.757 9.853 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.263 -14.638 11.186 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.441 -15.589 12.647 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.459 -13.390 10.477 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.921 -14.585 9.274 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.726 -13.570 10.114 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.026 -15.157 10.663 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.650 -13.937 10.187 1.00 0.00 C ATOM 1267 C GLY A 85 -1.800 -12.710 10.451 1.00 0.00 C ATOM 1268 O GLY A 85 -1.508 -12.385 11.603 1.00 0.00 O ATOM 0 H GLY A 85 -2.565 -15.670 11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.837 -14.022 9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.619 -13.815 10.671 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.400 -12.028 9.384 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.575 -10.831 9.505 1.00 0.00 C ATOM 1274 C CYS A 86 -1.147 -9.690 8.671 1.00 0.00 C ATOM 1275 O CYS A 86 -1.693 -9.910 7.589 1.00 0.00 O ATOM 1276 CB CYS A 86 0.860 -11.129 9.069 1.00 0.00 C ATOM 1277 SG CYS A 86 0.995 -12.414 7.804 1.00 0.00 S ATOM 0 H CYS A 86 -1.634 -12.283 8.425 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.572 -10.526 10.551 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.311 -10.212 8.690 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.438 -11.431 9.942 1.00 0.00 H new ATOM 0 HG CYS A 86 0.536 -13.536 8.274 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.020 -8.470 9.181 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.525 -7.292 8.484 1.00 0.00 C ATOM 1285 C LYS A 87 -0.376 -6.449 7.939 1.00 0.00 C ATOM 1286 O LYS A 87 0.747 -6.513 8.441 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.389 -6.449 9.424 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.788 -7.005 9.626 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.504 -6.309 10.771 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.819 -6.996 11.106 1.00 0.00 C ATOM 1291 NZ LYS A 87 -5.611 -8.228 11.916 1.00 0.00 N ATOM 0 H LYS A 87 -0.571 -8.270 10.075 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.135 -7.630 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.893 -6.375 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.463 -5.437 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.364 -6.885 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.730 -8.074 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.862 -6.301 11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.693 -5.269 10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.460 -6.305 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.340 -7.252 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.261 -8.971 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.630 -8.554 11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.797 -8.020 12.918 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.665 -5.658 6.911 1.00 0.00 N ATOM 1306 CA PHE A 88 0.344 -4.801 6.299 1.00 0.00 C ATOM 1307 C PHE A 88 -0.268 -3.481 5.841 1.00 0.00 C ATOM 1308 O PHE A 88 -1.490 -3.336 5.790 1.00 0.00 O ATOM 1309 CB PHE A 88 0.995 -5.513 5.111 1.00 0.00 C ATOM 1310 CG PHE A 88 1.398 -6.929 5.408 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.457 -7.947 5.401 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.717 -7.243 5.695 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.824 -9.251 5.674 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.090 -8.546 5.968 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.142 -9.551 5.959 1.00 0.00 C ATOM 0 H PHE A 88 -1.589 -5.593 6.484 1.00 0.00 H new ATOM 0 HA PHE A 88 1.106 -4.587 7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.300 -5.510 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.875 -4.951 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.575 -7.718 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.462 -6.461 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.081 -10.035 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.122 -8.778 6.188 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.431 -10.569 6.174 1.00 0.00 H new ATOM 1325 N ARG A 89 0.589 -2.521 5.510 1.00 0.00 N ATOM 1326 CA ARG A 89 0.133 -1.212 5.059 1.00 0.00 C ATOM 1327 C ARG A 89 1.191 -0.538 4.190 1.00 0.00 C ATOM 1328 O ARG A 89 2.384 -0.593 4.491 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.199 -0.323 6.258 1.00 0.00 C ATOM 1330 CG ARG A 89 0.953 -0.163 7.237 1.00 0.00 C ATOM 1331 CD ARG A 89 0.584 0.760 8.387 1.00 0.00 C ATOM 1332 NE ARG A 89 1.667 0.884 9.359 1.00 0.00 N ATOM 1333 CZ ARG A 89 1.799 1.917 10.184 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.920 2.909 10.156 1.00 0.00 N ATOM 1335 NH2 ARG A 89 2.812 1.958 11.040 1.00 0.00 N ATOM 0 H ARG A 89 1.603 -2.625 5.546 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.767 -1.355 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.497 0.661 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.056 -0.743 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.236 -1.140 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.823 0.235 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.335 1.746 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.308 0.380 8.885 1.00 0.00 H new ATOM 0 HE ARG A 89 2.360 0.137 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.140 2.881 9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.024 3.701 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.490 1.196 11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.913 2.751 11.673 1.00 0.00 H new ATOM 1349 N LEU A 90 0.746 0.098 3.112 1.00 0.00 N ATOM 1350 CA LEU A 90 1.654 0.782 2.198 1.00 0.00 C ATOM 1351 C LEU A 90 1.486 2.295 2.295 1.00 0.00 C ATOM 1352 O LEU A 90 0.382 2.794 2.514 1.00 0.00 O ATOM 1353 CB LEU A 90 1.407 0.321 0.761 1.00 0.00 C ATOM 1354 CG LEU A 90 2.387 0.845 -0.290 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.740 0.166 -0.144 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.830 0.633 -1.691 1.00 0.00 C ATOM 0 H LEU A 90 -0.238 0.154 2.849 1.00 0.00 H new ATOM 0 HA LEU A 90 2.675 0.529 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.432 -0.769 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.400 0.622 0.472 1.00 0.00 H new ATOM 0 HG LEU A 90 2.522 1.915 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.424 0.551 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.144 0.369 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.623 -0.910 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.540 1.012 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.666 -0.431 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.885 1.167 -1.791 1.00 0.00 H new ATOM 1368 N SER A 91 2.587 3.020 2.127 1.00 0.00 N ATOM 1369 CA SER A 91 2.561 4.477 2.197 1.00 0.00 C ATOM 1370 C SER A 91 3.696 5.080 1.375 1.00 0.00 C ATOM 1371 O SER A 91 4.826 4.595 1.407 1.00 0.00 O ATOM 1372 CB SER A 91 2.667 4.940 3.651 1.00 0.00 C ATOM 1373 OG SER A 91 3.821 4.403 4.275 1.00 0.00 O ATOM 0 H SER A 91 3.508 2.623 1.942 1.00 0.00 H new ATOM 0 HA SER A 91 1.613 4.820 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.704 6.029 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.777 4.632 4.200 1.00 0.00 H new ATOM 0 HG SER A 91 3.788 4.587 5.237 1.00 0.00 H new ATOM 1379 N ALA A 92 3.385 6.142 0.639 1.00 0.00 N ATOM 1380 CA ALA A 92 4.377 6.814 -0.191 1.00 0.00 C ATOM 1381 C ALA A 92 4.845 8.113 0.456 1.00 0.00 C ATOM 1382 O ALA A 92 4.032 8.933 0.882 1.00 0.00 O ATOM 1383 CB ALA A 92 3.810 7.086 -1.576 1.00 0.00 C ATOM 0 H ALA A 92 2.453 6.556 0.601 1.00 0.00 H new ATOM 0 HA ALA A 92 5.240 6.155 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.562 7.588 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.532 6.143 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.929 7.722 -1.490 1.00 0.00 H new ATOM 1389 N ARG A 93 6.160 8.293 0.528 1.00 0.00 N ATOM 1390 CA ARG A 93 6.736 9.491 1.125 1.00 0.00 C ATOM 1391 C ARG A 93 7.626 10.223 0.125 1.00 0.00 C ATOM 1392 O ARG A 93 8.462 9.613 -0.539 1.00 0.00 O ATOM 1393 CB ARG A 93 7.543 9.128 2.373 1.00 0.00 C ATOM 1394 CG ARG A 93 8.378 10.277 2.914 1.00 0.00 C ATOM 1395 CD ARG A 93 9.550 9.772 3.742 1.00 0.00 C ATOM 1396 NE ARG A 93 10.259 10.861 4.408 1.00 0.00 N ATOM 1397 CZ ARG A 93 10.989 10.700 5.505 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.106 9.500 6.057 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.605 11.740 6.053 1.00 0.00 N ATOM 0 H ARG A 93 6.846 7.624 0.180 1.00 0.00 H new ATOM 0 HA ARG A 93 5.918 10.153 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.859 8.789 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.201 8.291 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.749 10.880 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.752 10.927 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.188 9.065 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.242 9.229 3.098 1.00 0.00 H new ATOM 0 HE ARG A 93 10.190 11.797 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.635 8.698 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.668 9.379 6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.518 12.665 5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.166 11.615 6.896 1.00 0.00 H new ATOM 1413 N ASN A 94 7.440 11.535 0.025 1.00 0.00 N ATOM 1414 CA ASN A 94 8.226 12.351 -0.895 1.00 0.00 C ATOM 1415 C ASN A 94 9.008 13.421 -0.140 1.00 0.00 C ATOM 1416 O ASN A 94 8.880 13.556 1.077 1.00 0.00 O ATOM 1417 CB ASN A 94 7.314 13.007 -1.934 1.00 0.00 C ATOM 1418 CG ASN A 94 6.262 13.896 -1.300 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.122 13.937 -0.078 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.515 14.614 -2.132 1.00 0.00 N ATOM 0 H ASN A 94 6.752 12.056 0.569 1.00 0.00 H new ATOM 0 HA ASN A 94 8.936 11.699 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.918 13.598 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.824 12.233 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.791 15.231 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.666 14.549 -3.139 1.00 0.00 H new ATOM 1427 N ASP A 95 9.818 14.179 -0.871 1.00 0.00 N ATOM 1428 CA ASP A 95 10.621 15.239 -0.271 1.00 0.00 C ATOM 1429 C ASP A 95 9.868 15.909 0.874 1.00 0.00 C ATOM 1430 O ASP A 95 10.465 16.303 1.876 1.00 0.00 O ATOM 1431 CB ASP A 95 11.000 16.279 -1.326 1.00 0.00 C ATOM 1432 CG ASP A 95 11.939 17.339 -0.783 1.00 0.00 C ATOM 1433 OD1 ASP A 95 11.942 17.554 0.447 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.669 17.954 -1.588 1.00 0.00 O ATOM 0 H ASP A 95 9.936 14.080 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 95 11.530 14.790 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.472 15.779 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.096 16.757 -1.702 1.00 0.00 H new ATOM 1439 N TYR A 96 8.555 16.034 0.719 1.00 0.00 N ATOM 1440 CA TYR A 96 7.721 16.659 1.739 1.00 0.00 C ATOM 1441 C TYR A 96 7.604 15.766 2.970 1.00 0.00 C ATOM 1442 O TYR A 96 8.150 16.073 4.028 1.00 0.00 O ATOM 1443 CB TYR A 96 6.330 16.958 1.177 1.00 0.00 C ATOM 1444 CG TYR A 96 6.326 18.022 0.103 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.574 17.698 -1.225 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.074 19.352 0.416 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.572 18.667 -2.209 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.069 20.328 -0.562 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.319 19.981 -1.873 1.00 0.00 C ATOM 1450 OH TYR A 96 6.315 20.949 -2.850 1.00 0.00 O ATOM 0 H TYR A 96 8.045 15.711 -0.103 1.00 0.00 H new ATOM 0 HA TYR A 96 8.194 17.595 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.907 16.040 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.678 17.274 1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.772 16.671 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.879 19.628 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.768 18.398 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.870 21.357 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 96 6.031 20.554 -3.701 1.00 0.00 H new ATOM 1460 N GLY A 97 6.886 14.656 2.821 1.00 0.00 N ATOM 1461 CA GLY A 97 6.709 13.734 3.927 1.00 0.00 C ATOM 1462 C GLY A 97 5.983 12.468 3.517 1.00 0.00 C ATOM 1463 O GLY A 97 5.758 12.229 2.330 1.00 0.00 O ATOM 0 H GLY A 97 6.424 14.380 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.684 13.473 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.150 14.228 4.722 1.00 0.00 H new ATOM 1467 N THR A 98 5.617 11.652 4.500 1.00 0.00 N ATOM 1468 CA THR A 98 4.915 10.402 4.235 1.00 0.00 C ATOM 1469 C THR A 98 3.410 10.626 4.139 1.00 0.00 C ATOM 1470 O THR A 98 2.788 11.131 5.073 1.00 0.00 O ATOM 1471 CB THR A 98 5.198 9.356 5.329 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.599 9.062 5.375 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.415 8.078 5.071 1.00 0.00 C ATOM 0 H THR A 98 5.795 11.834 5.488 1.00 0.00 H new ATOM 0 HA THR A 98 5.285 10.028 3.281 1.00 0.00 H new ATOM 0 HB THR A 98 4.882 9.770 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.771 8.397 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.631 7.354 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.348 8.300 5.066 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.704 7.663 4.106 1.00 0.00 H new ATOM 1481 N SER A 99 2.832 10.248 3.004 1.00 0.00 N ATOM 1482 CA SER A 99 1.399 10.410 2.785 1.00 0.00 C ATOM 1483 C SER A 99 0.607 9.374 3.576 1.00 0.00 C ATOM 1484 O SER A 99 1.133 8.325 3.946 1.00 0.00 O ATOM 1485 CB SER A 99 1.072 10.290 1.295 1.00 0.00 C ATOM 1486 OG SER A 99 1.588 9.085 0.756 1.00 0.00 O ATOM 0 H SER A 99 3.333 9.827 2.222 1.00 0.00 H new ATOM 0 HA SER A 99 1.114 11.403 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.008 10.323 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.490 11.141 0.758 1.00 0.00 H new ATOM 0 HG SER A 99 2.560 9.161 0.657 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.661 9.677 3.833 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.506 8.763 4.579 1.00 0.00 C ATOM 1494 C GLY A 100 -1.252 7.313 4.219 1.00 0.00 C ATOM 1495 O GLY A 100 -0.939 6.997 3.071 1.00 0.00 O ATOM 0 H GLY A 100 -1.119 10.539 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.335 8.904 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.552 9.003 4.389 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.385 6.428 5.201 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.164 5.003 4.982 1.00 0.00 C ATOM 1501 C PHE A 101 -2.406 4.346 4.386 1.00 0.00 C ATOM 1502 O PHE A 101 -3.534 4.693 4.737 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.790 4.315 6.296 1.00 0.00 C ATOM 1504 CG PHE A 101 0.642 4.528 6.698 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.063 5.753 7.189 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.567 3.503 6.583 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.379 5.952 7.560 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.884 3.695 6.952 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.292 4.922 7.440 1.00 0.00 C ATOM 0 H PHE A 101 -1.645 6.672 6.157 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.341 4.893 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.440 4.685 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.978 3.245 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.354 6.562 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.255 2.543 6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.694 6.911 7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.595 2.887 6.859 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.322 5.075 7.727 1.00 0.00 H new ATOM 1519 N SER A 102 -2.190 3.396 3.483 1.00 0.00 N ATOM 1520 CA SER A 102 -3.290 2.692 2.835 1.00 0.00 C ATOM 1521 C SER A 102 -4.170 1.993 3.866 1.00 0.00 C ATOM 1522 O SER A 102 -3.881 2.015 5.062 1.00 0.00 O ATOM 1523 CB SER A 102 -2.751 1.671 1.832 1.00 0.00 C ATOM 1524 OG SER A 102 -2.069 0.619 2.492 1.00 0.00 O ATOM 0 H SER A 102 -1.263 3.096 3.183 1.00 0.00 H new ATOM 0 HA SER A 102 -3.895 3.427 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.574 1.263 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.076 2.165 1.133 1.00 0.00 H new ATOM 0 HG SER A 102 -1.777 -0.045 1.833 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.246 1.371 3.393 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.169 0.666 4.274 1.00 0.00 C ATOM 1532 C GLU A 103 -5.545 -0.625 4.795 1.00 0.00 C ATOM 1533 O GLU A 103 -5.076 -1.457 4.019 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.474 0.353 3.538 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.417 1.540 3.439 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.874 1.125 3.385 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.233 0.337 2.484 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.656 1.587 4.242 1.00 0.00 O ATOM 0 H GLU A 103 -5.499 1.341 2.405 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.386 1.314 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.239 0.002 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.983 -0.463 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.261 2.195 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.175 2.118 2.547 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.542 -0.784 6.115 1.00 0.00 N ATOM 1546 CA GLU A 104 -4.973 -1.972 6.740 1.00 0.00 C ATOM 1547 C GLU A 104 -5.488 -3.241 6.065 1.00 0.00 C ATOM 1548 O GLU A 104 -6.694 -3.485 6.016 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.311 -2.002 8.232 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.955 -0.718 8.962 1.00 0.00 C ATOM 1551 CD GLU A 104 -6.070 0.308 8.916 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -7.222 -0.055 9.235 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -5.792 1.472 8.562 1.00 0.00 O ATOM 0 H GLU A 104 -5.927 -0.105 6.772 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.890 -1.931 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.377 -2.194 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.784 -2.834 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.721 -0.948 10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.055 -0.291 8.520 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.565 -4.045 5.547 1.00 0.00 N ATOM 1561 CA VAL A 105 -4.925 -5.288 4.875 1.00 0.00 C ATOM 1562 C VAL A 105 -4.484 -6.499 5.689 1.00 0.00 C ATOM 1563 O VAL A 105 -3.345 -6.568 6.154 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.296 -5.370 3.472 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.024 -4.447 2.506 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.814 -5.031 3.531 1.00 0.00 C ATOM 0 H VAL A 105 -3.563 -3.858 5.580 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.011 -5.293 4.779 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.397 -6.392 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.566 -4.518 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.072 -4.741 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.957 -3.420 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.386 -5.094 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.687 -4.019 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.305 -5.736 4.188 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.392 -7.454 5.858 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.097 -8.665 6.616 1.00 0.00 C ATOM 1578 C LEU A 106 -4.918 -9.860 5.685 1.00 0.00 C ATOM 1579 O LEU A 106 -5.691 -10.049 4.746 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.217 -8.948 7.619 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.164 -10.307 8.318 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.941 -10.397 9.218 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.436 -10.545 9.118 1.00 0.00 C ATOM 0 H LEU A 106 -6.339 -7.413 5.480 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.164 -8.507 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.200 -8.169 8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.172 -8.866 7.100 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.087 -11.083 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.920 -11.371 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.039 -10.272 8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.987 -9.613 9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.381 -11.517 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.544 -9.764 9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.296 -10.525 8.449 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.895 -10.664 5.954 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.614 -11.841 5.140 1.00 0.00 C ATOM 1597 C TYR A 107 -3.286 -13.045 6.018 1.00 0.00 C ATOM 1598 O TYR A 107 -2.891 -12.895 7.175 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.453 -11.561 4.184 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.856 -10.776 2.957 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.471 -11.402 1.879 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.620 -9.409 2.873 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.840 -10.688 0.755 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.987 -8.688 1.754 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.596 -9.332 0.697 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.962 -8.617 -0.421 1.00 0.00 O ATOM 0 H TYR A 107 -3.247 -10.522 6.729 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.507 -12.071 4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.678 -11.012 4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.014 -12.508 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.664 -12.464 1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.141 -8.902 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.317 -11.189 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.798 -7.626 1.707 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.692 -7.681 -0.314 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.452 -14.239 5.460 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.175 -15.469 6.191 1.00 0.00 C ATOM 1618 C TYR A 108 -2.259 -16.387 5.387 1.00 0.00 C ATOM 1619 O TYR A 108 -2.642 -16.902 4.336 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.481 -16.196 6.521 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.069 -15.807 7.858 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.892 -14.694 7.980 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.801 -16.551 9.000 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.431 -14.334 9.200 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.337 -16.200 10.224 1.00 0.00 C ATOM 1626 CZ TYR A 108 -6.151 -15.090 10.319 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.686 -14.736 11.536 1.00 0.00 O ATOM 0 H TYR A 108 -3.777 -14.381 4.504 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.669 -15.203 7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.211 -15.988 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.301 -17.271 6.512 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.114 -14.100 7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.162 -17.419 8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -7.068 -13.465 9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.120 -16.791 11.101 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.392 -15.373 12.220 1.00 0.00 H new ATOM 1637 N THR A 109 -1.045 -16.587 5.890 1.00 0.00 N ATOM 1638 CA THR A 109 -0.072 -17.441 5.220 1.00 0.00 C ATOM 1639 C THR A 109 -0.733 -18.699 4.667 1.00 0.00 C ATOM 1640 O THR A 109 -1.799 -19.105 5.129 1.00 0.00 O ATOM 1641 CB THR A 109 1.067 -17.851 6.173 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.524 -18.436 7.362 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.924 -16.649 6.539 1.00 0.00 C ATOM 0 H THR A 109 -0.712 -16.169 6.759 1.00 0.00 H new ATOM 0 HA THR A 109 0.344 -16.860 4.397 1.00 0.00 H new ATOM 0 HB THR A 109 1.693 -18.582 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.245 -18.600 8.005 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.722 -16.962 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.359 -16.223 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.306 -15.899 7.032 1.00 0.00 H new ATOM 1651 N SER A 110 -0.093 -19.311 3.676 1.00 0.00 N ATOM 1652 CA SER A 110 -0.621 -20.521 3.057 1.00 0.00 C ATOM 1653 C SER A 110 -0.864 -21.605 4.104 1.00 0.00 C ATOM 1654 O SER A 110 -0.025 -21.844 4.971 1.00 0.00 O ATOM 1655 CB SER A 110 0.344 -21.036 1.988 1.00 0.00 C ATOM 1656 OG SER A 110 0.157 -20.354 0.760 1.00 0.00 O ATOM 0 H SER A 110 0.792 -18.989 3.284 1.00 0.00 H new ATOM 0 HA SER A 110 -1.573 -20.273 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.371 -20.905 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.191 -22.105 1.841 1.00 0.00 H new ATOM 0 HG SER A 110 1.024 -20.052 0.418 1.00 0.00 H new ATOM 1662 N GLY A 111 -2.019 -22.257 4.015 1.00 0.00 N ATOM 1663 CA GLY A 111 -2.353 -23.307 4.959 1.00 0.00 C ATOM 1664 C GLY A 111 -3.719 -23.908 4.698 1.00 0.00 C ATOM 1665 O GLY A 111 -3.939 -24.544 3.666 1.00 0.00 O ATOM 0 H GLY A 111 -2.730 -22.077 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.598 -24.092 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.324 -22.904 5.971 1.00 0.00 H new ATOM 1669 N CYS A 112 -4.640 -23.710 5.635 1.00 0.00 N ATOM 1670 CA CYS A 112 -5.993 -24.240 5.502 1.00 0.00 C ATOM 1671 C CYS A 112 -6.797 -23.430 4.492 1.00 0.00 C ATOM 1672 O CYS A 112 -6.480 -22.273 4.214 1.00 0.00 O ATOM 1673 CB CYS A 112 -6.700 -24.234 6.858 1.00 0.00 C ATOM 1674 SG CYS A 112 -6.969 -22.582 7.543 1.00 0.00 S ATOM 0 H CYS A 112 -4.475 -23.187 6.495 1.00 0.00 H new ATOM 0 HA CYS A 112 -5.921 -25.266 5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.663 -24.735 6.756 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -6.111 -24.818 7.565 1.00 0.00 H new ATOM 0 HG CYS A 112 -7.575 -22.681 8.689 1.00 0.00 H new ATOM 1680 N SER A 113 -7.840 -24.046 3.943 1.00 0.00 N ATOM 1681 CA SER A 113 -8.687 -23.384 2.958 1.00 0.00 C ATOM 1682 C SER A 113 -10.145 -23.798 3.130 1.00 0.00 C ATOM 1683 O SER A 113 -10.471 -24.627 3.979 1.00 0.00 O ATOM 1684 CB SER A 113 -8.214 -23.716 1.541 1.00 0.00 C ATOM 1685 OG SER A 113 -8.282 -25.109 1.295 1.00 0.00 O ATOM 0 H SER A 113 -8.118 -25.002 4.164 1.00 0.00 H new ATOM 0 HA SER A 113 -8.612 -22.308 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.829 -23.185 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.190 -23.369 1.405 1.00 0.00 H new ATOM 0 HG SER A 113 -7.976 -25.295 0.383 1.00 0.00 H new ATOM 1691 N GLY A 114 -11.020 -23.215 2.315 1.00 0.00 N ATOM 1692 CA GLY A 114 -12.433 -23.536 2.392 1.00 0.00 C ATOM 1693 C GLY A 114 -12.978 -24.071 1.083 1.00 0.00 C ATOM 1694 O GLY A 114 -12.240 -24.587 0.243 1.00 0.00 O ATOM 0 H GLY A 114 -10.775 -22.527 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.592 -24.275 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.990 -22.643 2.676 1.00 0.00 H new ATOM 1698 N PRO A 115 -14.301 -23.953 0.896 1.00 0.00 N ATOM 1699 CA PRO A 115 -14.974 -24.424 -0.318 1.00 0.00 C ATOM 1700 C PRO A 115 -14.627 -23.579 -1.539 1.00 0.00 C ATOM 1701 O PRO A 115 -14.593 -22.351 -1.466 1.00 0.00 O ATOM 1702 CB PRO A 115 -16.460 -24.285 0.024 1.00 0.00 C ATOM 1703 CG PRO A 115 -16.512 -23.217 1.061 1.00 0.00 C ATOM 1704 CD PRO A 115 -15.242 -23.349 1.855 1.00 0.00 C ATOM 0 HA PRO A 115 -14.676 -25.439 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.045 -24.012 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -16.869 -25.223 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.585 -22.231 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -17.386 -23.336 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.888 -22.381 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -15.381 -23.980 2.733 1.00 0.00 H new ATOM 1712 N SER A 116 -14.371 -24.245 -2.660 1.00 0.00 N ATOM 1713 CA SER A 116 -14.022 -23.555 -3.896 1.00 0.00 C ATOM 1714 C SER A 116 -15.037 -22.460 -4.212 1.00 0.00 C ATOM 1715 O SER A 116 -16.164 -22.481 -3.716 1.00 0.00 O ATOM 1716 CB SER A 116 -13.950 -24.549 -5.057 1.00 0.00 C ATOM 1717 OG SER A 116 -15.243 -25.000 -5.423 1.00 0.00 O ATOM 0 H SER A 116 -14.399 -25.262 -2.738 1.00 0.00 H new ATOM 0 HA SER A 116 -13.044 -23.093 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.470 -24.077 -5.914 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.331 -25.400 -4.773 1.00 0.00 H new ATOM 0 HG SER A 116 -15.170 -25.633 -6.168 1.00 0.00 H new ATOM 1723 N SER A 117 -14.629 -21.504 -5.040 1.00 0.00 N ATOM 1724 CA SER A 117 -15.500 -20.398 -5.419 1.00 0.00 C ATOM 1725 C SER A 117 -15.507 -20.206 -6.932 1.00 0.00 C ATOM 1726 O SER A 117 -14.537 -19.721 -7.513 1.00 0.00 O ATOM 1727 CB SER A 117 -15.049 -19.107 -4.732 1.00 0.00 C ATOM 1728 OG SER A 117 -13.694 -18.817 -5.031 1.00 0.00 O ATOM 0 H SER A 117 -13.701 -21.473 -5.461 1.00 0.00 H new ATOM 0 HA SER A 117 -16.513 -20.639 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.681 -18.280 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.174 -19.202 -3.653 1.00 0.00 H new ATOM 0 HG SER A 117 -13.511 -19.040 -5.968 1.00 0.00 H new ATOM 1734 N GLY A 118 -16.610 -20.593 -7.566 1.00 0.00 N ATOM 1735 CA GLY A 118 -16.725 -20.456 -9.007 1.00 0.00 C ATOM 1736 C GLY A 118 -17.351 -19.138 -9.416 1.00 0.00 C ATOM 1737 O GLY A 118 -16.682 -18.104 -9.434 1.00 0.00 O ATOM 0 H GLY A 118 -17.426 -20.999 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.736 -20.540 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.325 -21.277 -9.400 1.00 0.00 H new TER 1741 GLY A 118