USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 950 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 37 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 142:sc= -0.397 (180deg=-2.05!) 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 -19:sc= 0.799 USER MOD Single : A 5 SER OG : rot 32:sc= 0.485 USER MOD Single : A 6 SER OG : rot -130:sc= -0.0475 USER MOD Single : A 8 THR OG1 : rot 108:sc= 0.632 USER MOD Single : A 11 GLN : amide:sc= -1.62! C(o=-1.6!,f=-1.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= -0.152 (180deg=-0.78) USER MOD Single : A 29 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-2.9) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.614! C(o=-0.61!,f=-6!) USER MOD Single : A 43 ASN : amide:sc= -0.917 X(o=-0.92,f=-0.64) USER MOD Single : A 49 GLN : amide:sc=-0.00115 K(o=-0.0012,f=-1.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 59 THR OG1 : rot 44:sc= 0.0162 USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= 0.00491 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 10:sc= 0.769 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.852 K(o=-0.85,f=-4.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -90:sc= 0.658 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -80:sc= 1.07 USER MOD Single : A 94 TYR OH : rot 68:sc= 0.638 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 103 MET CE :methyl -168:sc= -0.0372 (180deg=-0.262) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.440 -10.915 -2.710 1.00 0.00 N ATOM 2 CA GLY A 1 21.777 -11.313 -2.311 1.00 0.00 C ATOM 3 C GLY A 1 22.851 -10.442 -2.933 1.00 0.00 C ATOM 4 O GLY A 1 23.285 -9.458 -2.334 1.00 0.00 O ATOM 0 H1 GLY A 1 19.742 -11.541 -2.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.267 -9.933 -2.414 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.351 -10.986 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.858 -11.265 -1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.944 -12.351 -2.597 1.00 0.00 H new ATOM 8 N SER A 2 23.280 -10.804 -4.138 1.00 0.00 N ATOM 9 CA SER A 2 24.314 -10.050 -4.839 1.00 0.00 C ATOM 10 C SER A 2 25.544 -9.864 -3.955 1.00 0.00 C ATOM 11 O SER A 2 26.132 -8.784 -3.911 1.00 0.00 O ATOM 12 CB SER A 2 23.774 -8.687 -5.275 1.00 0.00 C ATOM 13 OG SER A 2 22.935 -8.810 -6.410 1.00 0.00 O ATOM 0 H SER A 2 22.928 -11.614 -4.649 1.00 0.00 H new ATOM 0 HA SER A 2 24.606 -10.617 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.217 -8.234 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.605 -8.019 -5.504 1.00 0.00 H new ATOM 0 HG SER A 2 22.601 -7.925 -6.668 1.00 0.00 H new ATOM 19 N SER A 3 25.927 -10.926 -3.253 1.00 0.00 N ATOM 20 CA SER A 3 27.084 -10.880 -2.367 1.00 0.00 C ATOM 21 C SER A 3 27.634 -12.281 -2.119 1.00 0.00 C ATOM 22 O SER A 3 26.880 -13.220 -1.869 1.00 0.00 O ATOM 23 CB SER A 3 26.709 -10.223 -1.037 1.00 0.00 C ATOM 24 OG SER A 3 26.212 -8.911 -1.238 1.00 0.00 O ATOM 0 H SER A 3 25.453 -11.829 -3.281 1.00 0.00 H new ATOM 0 HA SER A 3 27.858 -10.285 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.957 -10.826 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.582 -10.189 -0.386 1.00 0.00 H new ATOM 0 HG SER A 3 26.484 -8.590 -2.123 1.00 0.00 H new ATOM 30 N GLY A 4 28.955 -12.412 -2.189 1.00 0.00 N ATOM 31 CA GLY A 4 29.585 -13.701 -1.970 1.00 0.00 C ATOM 32 C GLY A 4 30.718 -13.966 -2.942 1.00 0.00 C ATOM 33 O GLY A 4 30.550 -13.830 -4.154 1.00 0.00 O ATOM 0 H GLY A 4 29.600 -11.649 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.967 -13.746 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.837 -14.488 -2.065 1.00 0.00 H new ATOM 37 N SER A 5 31.876 -14.344 -2.410 1.00 0.00 N ATOM 38 CA SER A 5 33.043 -14.622 -3.238 1.00 0.00 C ATOM 39 C SER A 5 34.195 -15.155 -2.392 1.00 0.00 C ATOM 40 O SER A 5 34.647 -14.498 -1.454 1.00 0.00 O ATOM 41 CB SER A 5 33.482 -13.358 -3.980 1.00 0.00 C ATOM 42 OG SER A 5 33.942 -12.370 -3.075 1.00 0.00 O ATOM 0 H SER A 5 32.031 -14.465 -1.409 1.00 0.00 H new ATOM 0 HA SER A 5 32.767 -15.384 -3.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.274 -13.604 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.647 -12.964 -4.560 1.00 0.00 H new ATOM 0 HG SER A 5 34.364 -12.804 -2.304 1.00 0.00 H new ATOM 48 N SER A 6 34.666 -16.351 -2.730 1.00 0.00 N ATOM 49 CA SER A 6 35.763 -16.975 -2.000 1.00 0.00 C ATOM 50 C SER A 6 36.319 -18.169 -2.771 1.00 0.00 C ATOM 51 O SER A 6 35.614 -19.146 -3.018 1.00 0.00 O ATOM 52 CB SER A 6 35.292 -17.423 -0.615 1.00 0.00 C ATOM 53 OG SER A 6 36.298 -18.168 0.050 1.00 0.00 O ATOM 0 H SER A 6 34.305 -16.907 -3.505 1.00 0.00 H new ATOM 0 HA SER A 6 36.557 -16.237 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 35.027 -16.551 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 34.391 -18.029 -0.712 1.00 0.00 H new ATOM 0 HG SER A 6 35.914 -19.002 0.393 1.00 0.00 H new ATOM 59 N GLY A 7 37.591 -18.081 -3.148 1.00 0.00 N ATOM 60 CA GLY A 7 38.222 -19.159 -3.887 1.00 0.00 C ATOM 61 C GLY A 7 39.267 -19.890 -3.067 1.00 0.00 C ATOM 62 O GLY A 7 39.437 -21.102 -3.202 1.00 0.00 O ATOM 0 H GLY A 7 38.196 -17.283 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.460 -19.867 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 38.687 -18.755 -4.786 1.00 0.00 H new ATOM 66 N THR A 8 39.971 -19.152 -2.214 1.00 0.00 N ATOM 67 CA THR A 8 41.006 -19.737 -1.372 1.00 0.00 C ATOM 68 C THR A 8 40.453 -20.888 -0.539 1.00 0.00 C ATOM 69 O THR A 8 39.239 -21.083 -0.460 1.00 0.00 O ATOM 70 CB THR A 8 41.623 -18.687 -0.429 1.00 0.00 C ATOM 71 OG1 THR A 8 40.610 -18.135 0.420 1.00 0.00 O ATOM 72 CG2 THR A 8 42.289 -17.572 -1.222 1.00 0.00 C ATOM 0 H THR A 8 39.843 -18.148 -2.089 1.00 0.00 H new ATOM 0 HA THR A 8 41.780 -20.115 -2.040 1.00 0.00 H new ATOM 0 HB THR A 8 42.380 -19.180 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 8 40.731 -18.469 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 8 42.717 -16.843 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 8 43.079 -17.991 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 8 41.548 -17.083 -1.855 1.00 0.00 H new ATOM 80 N LEU A 9 41.349 -21.647 0.081 1.00 0.00 N ATOM 81 CA LEU A 9 40.950 -22.780 0.909 1.00 0.00 C ATOM 82 C LEU A 9 40.541 -22.317 2.304 1.00 0.00 C ATOM 83 O LEU A 9 40.357 -23.130 3.209 1.00 0.00 O ATOM 84 CB LEU A 9 42.093 -23.791 1.010 1.00 0.00 C ATOM 85 CG LEU A 9 42.258 -24.739 -0.178 1.00 0.00 C ATOM 86 CD1 LEU A 9 41.437 -26.002 0.029 1.00 0.00 C ATOM 87 CD2 LEU A 9 41.856 -24.046 -1.472 1.00 0.00 C ATOM 0 H LEU A 9 42.357 -21.499 0.026 1.00 0.00 H new ATOM 0 HA LEU A 9 40.091 -23.258 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 9 43.025 -23.243 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 9 41.944 -24.390 1.909 1.00 0.00 H new ATOM 0 HG LEU A 9 43.308 -25.021 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 9 41.567 -26.665 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 9 41.771 -26.509 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 9 40.384 -25.739 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 41.980 -24.735 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 9 40.813 -23.735 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.487 -23.171 -1.627 1.00 0.00 H new ATOM 99 N ALA A 10 40.397 -21.006 2.468 1.00 0.00 N ATOM 100 CA ALA A 10 40.006 -20.435 3.751 1.00 0.00 C ATOM 101 C ALA A 10 39.160 -19.181 3.559 1.00 0.00 C ATOM 102 O ALA A 10 39.393 -18.401 2.635 1.00 0.00 O ATOM 103 CB ALA A 10 41.237 -20.121 4.587 1.00 0.00 C ATOM 0 H ALA A 10 40.545 -20.319 1.728 1.00 0.00 H new ATOM 0 HA ALA A 10 39.401 -21.172 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 10 40.929 -19.695 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 10 41.801 -21.037 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 10 41.865 -19.405 4.056 1.00 0.00 H new ATOM 109 N GLN A 11 38.179 -18.994 4.435 1.00 0.00 N ATOM 110 CA GLN A 11 37.299 -17.834 4.360 1.00 0.00 C ATOM 111 C GLN A 11 36.930 -17.339 5.754 1.00 0.00 C ATOM 112 O GLN A 11 36.739 -18.120 6.687 1.00 0.00 O ATOM 113 CB GLN A 11 36.031 -18.180 3.577 1.00 0.00 C ATOM 114 CG GLN A 11 35.268 -19.365 4.147 1.00 0.00 C ATOM 115 CD GLN A 11 35.994 -20.680 3.943 1.00 0.00 C ATOM 116 OE1 GLN A 11 36.497 -20.962 2.855 1.00 0.00 O ATOM 117 NE2 GLN A 11 36.053 -21.493 4.991 1.00 0.00 N ATOM 0 H GLN A 11 37.973 -19.631 5.205 1.00 0.00 H new ATOM 0 HA GLN A 11 37.833 -17.038 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 11 35.375 -17.310 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 11 36.300 -18.395 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 11 35.103 -19.207 5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 11 34.286 -19.420 3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 11 35.622 -21.219 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 11 36.529 -22.392 4.913 1.00 0.00 H new ATOM 126 N PRO A 12 36.827 -16.010 5.903 1.00 0.00 N ATOM 127 CA PRO A 12 36.481 -15.380 7.180 1.00 0.00 C ATOM 128 C PRO A 12 35.030 -15.635 7.577 1.00 0.00 C ATOM 129 O PRO A 12 34.324 -16.405 6.927 1.00 0.00 O ATOM 130 CB PRO A 12 36.709 -13.890 6.915 1.00 0.00 C ATOM 131 CG PRO A 12 36.542 -13.738 5.443 1.00 0.00 C ATOM 132 CD PRO A 12 37.042 -15.019 4.834 1.00 0.00 C ATOM 0 HA PRO A 12 37.075 -15.775 8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.992 -13.277 7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.703 -13.578 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 12 35.497 -13.565 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.108 -12.883 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.490 -15.277 3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.094 -14.949 4.556 1.00 0.00 H new ATOM 140 N VAL A 13 34.592 -14.983 8.649 1.00 0.00 N ATOM 141 CA VAL A 13 33.225 -15.137 9.132 1.00 0.00 C ATOM 142 C VAL A 13 32.605 -13.786 9.471 1.00 0.00 C ATOM 143 O VAL A 13 32.330 -13.490 10.634 1.00 0.00 O ATOM 144 CB VAL A 13 33.168 -16.042 10.377 1.00 0.00 C ATOM 145 CG1 VAL A 13 31.773 -16.621 10.554 1.00 0.00 C ATOM 146 CG2 VAL A 13 34.206 -17.150 10.278 1.00 0.00 C ATOM 0 H VAL A 13 35.164 -14.343 9.200 1.00 0.00 H new ATOM 0 HA VAL A 13 32.656 -15.602 8.327 1.00 0.00 H new ATOM 0 HB VAL A 13 33.398 -15.438 11.255 1.00 0.00 H new ATOM 0 HG11 VAL A 13 31.753 -17.257 11.439 1.00 0.00 H new ATOM 0 HG12 VAL A 13 31.055 -15.810 10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 13 31.510 -17.211 9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 13 34.152 -17.780 11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 13 34.010 -17.754 9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 13 35.201 -16.711 10.205 1.00 0.00 H new ATOM 156 N THR A 14 32.387 -12.967 8.446 1.00 0.00 N ATOM 157 CA THR A 14 31.801 -11.647 8.634 1.00 0.00 C ATOM 158 C THR A 14 31.331 -11.060 7.308 1.00 0.00 C ATOM 159 O THR A 14 31.922 -11.319 6.260 1.00 0.00 O ATOM 160 CB THR A 14 32.803 -10.675 9.286 1.00 0.00 C ATOM 161 OG1 THR A 14 32.250 -9.354 9.324 1.00 0.00 O ATOM 162 CG2 THR A 14 34.117 -10.658 8.521 1.00 0.00 C ATOM 0 H THR A 14 32.608 -13.196 7.477 1.00 0.00 H new ATOM 0 HA THR A 14 30.945 -11.773 9.296 1.00 0.00 H new ATOM 0 HB THR A 14 32.998 -11.017 10.303 1.00 0.00 H new ATOM 0 HG1 THR A 14 32.892 -8.742 9.741 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.808 -9.965 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 14 34.550 -11.658 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 33.936 -10.339 7.495 1.00 0.00 H new ATOM 170 N ILE A 15 30.265 -10.268 7.362 1.00 0.00 N ATOM 171 CA ILE A 15 29.718 -9.643 6.164 1.00 0.00 C ATOM 172 C ILE A 15 29.638 -8.128 6.322 1.00 0.00 C ATOM 173 O ILE A 15 29.496 -7.616 7.432 1.00 0.00 O ATOM 174 CB ILE A 15 28.315 -10.188 5.836 1.00 0.00 C ATOM 175 CG1 ILE A 15 28.332 -11.718 5.809 1.00 0.00 C ATOM 176 CG2 ILE A 15 27.830 -9.635 4.504 1.00 0.00 C ATOM 177 CD1 ILE A 15 28.239 -12.347 7.182 1.00 0.00 C ATOM 0 H ILE A 15 29.764 -10.044 8.222 1.00 0.00 H new ATOM 0 HA ILE A 15 30.394 -9.885 5.344 1.00 0.00 H new ATOM 0 HB ILE A 15 27.624 -9.864 6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.501 -12.072 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 15 29.249 -12.055 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.837 -10.029 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.785 -8.547 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.520 -9.932 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 28.257 -13.433 7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 15 29.084 -12.022 7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 15 27.309 -12.040 7.661 1.00 0.00 H new ATOM 189 N ARG A 16 29.729 -7.417 5.203 1.00 0.00 N ATOM 190 CA ARG A 16 29.666 -5.961 5.216 1.00 0.00 C ATOM 191 C ARG A 16 28.664 -5.469 6.257 1.00 0.00 C ATOM 192 O ARG A 16 27.582 -6.035 6.406 1.00 0.00 O ATOM 193 CB ARG A 16 29.282 -5.432 3.833 1.00 0.00 C ATOM 194 CG ARG A 16 30.410 -5.508 2.817 1.00 0.00 C ATOM 195 CD ARG A 16 30.504 -6.890 2.190 1.00 0.00 C ATOM 196 NE ARG A 16 31.168 -6.857 0.890 1.00 0.00 N ATOM 197 CZ ARG A 16 30.631 -6.311 -0.196 1.00 0.00 C ATOM 198 NH1 ARG A 16 29.429 -5.756 -0.138 1.00 0.00 N ATOM 199 NH2 ARG A 16 31.298 -6.321 -1.343 1.00 0.00 N ATOM 0 H ARG A 16 29.847 -7.826 4.276 1.00 0.00 H new ATOM 0 HA ARG A 16 30.654 -5.583 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.430 -6.000 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 16 28.958 -4.395 3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 16 30.249 -4.764 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 16 31.355 -5.262 3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 16 31.050 -7.555 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 16 29.503 -7.305 2.075 1.00 0.00 H new ATOM 0 HE ARG A 16 32.095 -7.276 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 16 28.913 -5.747 0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 16 29.020 -5.338 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 16 32.223 -6.748 -1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.886 -5.902 -2.176 1.00 0.00 H new ATOM 213 N GLU A 17 29.034 -4.412 6.974 1.00 0.00 N ATOM 214 CA GLU A 17 28.168 -3.846 8.001 1.00 0.00 C ATOM 215 C GLU A 17 27.145 -2.894 7.386 1.00 0.00 C ATOM 216 O GLU A 17 27.440 -2.188 6.422 1.00 0.00 O ATOM 217 CB GLU A 17 29.000 -3.108 9.052 1.00 0.00 C ATOM 218 CG GLU A 17 29.600 -1.806 8.548 1.00 0.00 C ATOM 219 CD GLU A 17 30.845 -1.403 9.315 1.00 0.00 C ATOM 220 OE1 GLU A 17 30.712 -0.688 10.330 1.00 0.00 O ATOM 221 OE2 GLU A 17 31.953 -1.803 8.899 1.00 0.00 O ATOM 0 H GLU A 17 29.927 -3.931 6.862 1.00 0.00 H new ATOM 0 HA GLU A 17 27.634 -4.666 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.373 -2.898 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.804 -3.761 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.846 -1.909 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.856 -1.013 8.627 1.00 0.00 H new ATOM 228 N ILE A 18 25.942 -2.883 7.951 1.00 0.00 N ATOM 229 CA ILE A 18 24.876 -2.019 7.459 1.00 0.00 C ATOM 230 C ILE A 18 25.078 -0.580 7.922 1.00 0.00 C ATOM 231 O ILE A 18 25.254 -0.318 9.111 1.00 0.00 O ATOM 232 CB ILE A 18 23.494 -2.508 7.929 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.288 -3.973 7.539 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.395 -1.638 7.337 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.131 -4.633 8.257 1.00 0.00 C ATOM 0 H ILE A 18 25.682 -3.462 8.749 1.00 0.00 H new ATOM 0 HA ILE A 18 24.915 -2.057 6.370 1.00 0.00 H new ATOM 0 HB ILE A 18 23.447 -2.430 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.120 -4.034 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.201 -4.529 7.751 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.424 -1.996 7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.535 -0.606 7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.438 -1.688 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.044 -5.670 7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.306 -4.604 9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.208 -4.102 8.025 1.00 0.00 H new ATOM 247 N ALA A 19 25.050 0.350 6.973 1.00 0.00 N ATOM 248 CA ALA A 19 25.225 1.764 7.283 1.00 0.00 C ATOM 249 C ALA A 19 24.076 2.285 8.139 1.00 0.00 C ATOM 250 O ALA A 19 24.287 3.061 9.070 1.00 0.00 O ATOM 251 CB ALA A 19 25.341 2.575 6.001 1.00 0.00 C ATOM 0 H ALA A 19 24.908 0.150 5.983 1.00 0.00 H new ATOM 0 HA ALA A 19 26.147 1.874 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.471 3.629 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.200 2.228 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.435 2.450 5.408 1.00 0.00 H new ATOM 257 N GLU A 20 22.861 1.852 7.818 1.00 0.00 N ATOM 258 CA GLU A 20 21.679 2.278 8.558 1.00 0.00 C ATOM 259 C GLU A 20 20.561 1.246 8.436 1.00 0.00 C ATOM 260 O GLU A 20 20.263 0.740 7.354 1.00 0.00 O ATOM 261 CB GLU A 20 21.192 3.636 8.048 1.00 0.00 C ATOM 262 CG GLU A 20 20.300 4.372 9.034 1.00 0.00 C ATOM 263 CD GLU A 20 20.121 5.835 8.679 1.00 0.00 C ATOM 264 OE1 GLU A 20 19.441 6.122 7.671 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.662 6.693 9.407 1.00 0.00 O ATOM 0 H GLU A 20 22.669 1.207 7.051 1.00 0.00 H new ATOM 0 HA GLU A 20 21.953 2.370 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.056 4.259 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.646 3.490 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.324 3.888 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.728 4.294 10.033 1.00 0.00 H new ATOM 272 N PRO A 21 19.926 0.926 9.574 1.00 0.00 N ATOM 273 CA PRO A 21 18.831 -0.048 9.622 1.00 0.00 C ATOM 274 C PRO A 21 17.566 0.469 8.947 1.00 0.00 C ATOM 275 O PRO A 21 17.300 1.670 8.908 1.00 0.00 O ATOM 276 CB PRO A 21 18.596 -0.243 11.122 1.00 0.00 C ATOM 277 CG PRO A 21 19.079 1.020 11.748 1.00 0.00 C ATOM 278 CD PRO A 21 20.228 1.489 10.900 1.00 0.00 C ATOM 0 HA PRO A 21 19.079 -0.968 9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.542 -0.414 11.339 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.143 -1.107 11.500 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.287 1.768 11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.397 0.849 12.776 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.288 2.577 10.870 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.183 1.128 11.282 1.00 0.00 H new ATOM 286 N PRO A 22 16.764 -0.458 8.402 1.00 0.00 N ATOM 287 CA PRO A 22 15.512 -0.120 7.719 1.00 0.00 C ATOM 288 C PRO A 22 14.442 0.380 8.683 1.00 0.00 C ATOM 289 O PRO A 22 14.405 -0.021 9.847 1.00 0.00 O ATOM 290 CB PRO A 22 15.084 -1.445 7.085 1.00 0.00 C ATOM 291 CG PRO A 22 15.717 -2.493 7.933 1.00 0.00 C ATOM 292 CD PRO A 22 17.018 -1.909 8.411 1.00 0.00 C ATOM 0 HA PRO A 22 15.646 0.688 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.999 -1.546 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.421 -1.516 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.075 -2.755 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.885 -3.407 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.276 -2.266 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.845 -2.176 7.753 1.00 0.00 H new ATOM 300 N LYS A 23 13.572 1.256 8.193 1.00 0.00 N ATOM 301 CA LYS A 23 12.499 1.810 9.011 1.00 0.00 C ATOM 302 C LYS A 23 11.446 2.487 8.140 1.00 0.00 C ATOM 303 O LYS A 23 11.750 3.416 7.391 1.00 0.00 O ATOM 304 CB LYS A 23 13.064 2.813 10.019 1.00 0.00 C ATOM 305 CG LYS A 23 12.023 3.365 10.977 1.00 0.00 C ATOM 306 CD LYS A 23 11.909 2.511 12.229 1.00 0.00 C ATOM 307 CE LYS A 23 12.966 2.886 13.256 1.00 0.00 C ATOM 308 NZ LYS A 23 12.828 4.299 13.705 1.00 0.00 N ATOM 0 H LYS A 23 13.589 1.598 7.232 1.00 0.00 H new ATOM 0 HA LYS A 23 12.026 0.989 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.855 2.331 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.522 3.641 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.287 4.385 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.055 3.411 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.917 2.632 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.014 1.459 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.887 2.222 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.957 2.736 12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.196 4.393 14.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.367 4.920 13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.825 4.572 13.688 1.00 0.00 H new ATOM 322 N ILE A 24 10.207 2.017 8.245 1.00 0.00 N ATOM 323 CA ILE A 24 9.109 2.580 7.469 1.00 0.00 C ATOM 324 C ILE A 24 8.342 3.622 8.276 1.00 0.00 C ATOM 325 O ILE A 24 7.456 3.284 9.061 1.00 0.00 O ATOM 326 CB ILE A 24 8.131 1.486 7.003 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.829 0.522 6.041 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.912 2.112 6.342 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.073 -0.770 5.825 1.00 0.00 C ATOM 0 H ILE A 24 9.939 1.248 8.860 1.00 0.00 H new ATOM 0 HA ILE A 24 9.552 3.056 6.595 1.00 0.00 H new ATOM 0 HB ILE A 24 7.799 0.922 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.967 1.017 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.822 0.292 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.230 1.326 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.405 2.761 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.227 2.698 5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.627 -1.404 5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.957 -1.287 6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.089 -0.551 5.409 1.00 0.00 H new ATOM 341 N ARG A 25 8.688 4.889 8.077 1.00 0.00 N ATOM 342 CA ARG A 25 8.032 5.981 8.786 1.00 0.00 C ATOM 343 C ARG A 25 6.640 6.240 8.217 1.00 0.00 C ATOM 344 O ARG A 25 6.489 6.931 7.208 1.00 0.00 O ATOM 345 CB ARG A 25 8.875 7.254 8.699 1.00 0.00 C ATOM 346 CG ARG A 25 10.344 7.035 9.022 1.00 0.00 C ATOM 347 CD ARG A 25 10.536 6.575 10.458 1.00 0.00 C ATOM 348 NE ARG A 25 11.820 7.005 11.004 1.00 0.00 N ATOM 349 CZ ARG A 25 12.146 8.278 11.200 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.286 9.240 10.897 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.334 8.591 11.701 1.00 0.00 N ATOM 0 H ARG A 25 9.419 5.185 7.430 1.00 0.00 H new ATOM 0 HA ARG A 25 7.930 5.692 9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.790 7.668 7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.468 7.997 9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.760 6.292 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.896 7.961 8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.729 6.969 11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.469 5.488 10.502 1.00 0.00 H new ATOM 0 HE ARG A 25 12.504 6.289 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.371 9.004 10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.539 10.216 11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.999 7.854 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.583 9.569 11.851 1.00 0.00 H new ATOM 365 N LEU A 26 5.627 5.681 8.869 1.00 0.00 N ATOM 366 CA LEU A 26 4.246 5.851 8.428 1.00 0.00 C ATOM 367 C LEU A 26 3.636 7.116 9.024 1.00 0.00 C ATOM 368 O LEU A 26 3.814 7.425 10.203 1.00 0.00 O ATOM 369 CB LEU A 26 3.410 4.633 8.823 1.00 0.00 C ATOM 370 CG LEU A 26 3.379 3.484 7.814 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.792 2.233 8.448 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.585 3.881 6.579 1.00 0.00 C ATOM 0 H LEU A 26 5.735 5.106 9.705 1.00 0.00 H new ATOM 0 HA LEU A 26 4.246 5.947 7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.790 4.248 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.386 4.962 9.000 1.00 0.00 H new ATOM 0 HG LEU A 26 4.402 3.266 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.778 1.426 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.402 1.937 9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.775 2.437 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.573 3.052 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.563 4.127 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.049 4.750 6.112 1.00 0.00 H new ATOM 384 N PRO A 27 2.897 7.865 8.193 1.00 0.00 N ATOM 385 CA PRO A 27 2.243 9.106 8.616 1.00 0.00 C ATOM 386 C PRO A 27 1.084 8.854 9.575 1.00 0.00 C ATOM 387 O PRO A 27 0.922 7.747 10.089 1.00 0.00 O ATOM 388 CB PRO A 27 1.729 9.702 7.303 1.00 0.00 C ATOM 389 CG PRO A 27 1.563 8.533 6.396 1.00 0.00 C ATOM 390 CD PRO A 27 2.642 7.557 6.775 1.00 0.00 C ATOM 0 HA PRO A 27 2.925 9.760 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.785 10.227 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.435 10.424 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.575 8.087 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.657 8.833 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.317 6.526 6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.537 7.691 6.167 1.00 0.00 H new ATOM 398 N ARG A 28 0.282 9.886 9.812 1.00 0.00 N ATOM 399 CA ARG A 28 -0.861 9.775 10.710 1.00 0.00 C ATOM 400 C ARG A 28 -2.166 9.703 9.923 1.00 0.00 C ATOM 401 O ARG A 28 -3.226 9.419 10.483 1.00 0.00 O ATOM 402 CB ARG A 28 -0.898 10.965 11.672 1.00 0.00 C ATOM 403 CG ARG A 28 -1.766 10.730 12.897 1.00 0.00 C ATOM 404 CD ARG A 28 -2.287 12.039 13.469 1.00 0.00 C ATOM 405 NE ARG A 28 -1.207 12.890 13.962 1.00 0.00 N ATOM 406 CZ ARG A 28 -1.393 14.123 14.419 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.611 14.648 14.445 1.00 0.00 N ATOM 408 NH2 ARG A 28 -0.360 14.835 14.850 1.00 0.00 N ATOM 0 H ARG A 28 0.402 10.809 9.395 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.752 8.855 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.118 11.192 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.266 11.841 11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.606 10.088 12.632 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.189 10.203 13.657 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.847 12.573 12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.982 11.828 14.282 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.258 12.517 13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.408 14.104 14.113 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.751 15.595 14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.578 14.436 14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.504 15.782 15.201 1.00 0.00 H new ATOM 422 N HIS A 29 -2.082 9.961 8.622 1.00 0.00 N ATOM 423 CA HIS A 29 -3.256 9.925 7.758 1.00 0.00 C ATOM 424 C HIS A 29 -3.418 8.549 7.119 1.00 0.00 C ATOM 425 O HIS A 29 -4.432 8.266 6.479 1.00 0.00 O ATOM 426 CB HIS A 29 -3.149 10.995 6.671 1.00 0.00 C ATOM 427 CG HIS A 29 -1.821 11.016 5.979 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.509 10.184 4.925 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.722 11.776 6.195 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.274 10.429 4.524 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.225 11.392 5.278 1.00 0.00 N ATOM 0 H HIS A 29 -1.213 10.197 8.143 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.134 10.128 8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.932 10.829 5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.333 11.973 7.116 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.611 12.542 6.948 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.240 9.927 3.717 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.162 11.786 5.193 1.00 0.00 H new ATOM 440 N LEU A 30 -2.414 7.698 7.296 1.00 0.00 N ATOM 441 CA LEU A 30 -2.444 6.351 6.736 1.00 0.00 C ATOM 442 C LEU A 30 -2.909 5.339 7.778 1.00 0.00 C ATOM 443 O LEU A 30 -3.634 4.396 7.461 1.00 0.00 O ATOM 444 CB LEU A 30 -1.060 5.964 6.213 1.00 0.00 C ATOM 445 CG LEU A 30 -0.682 6.517 4.838 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.644 5.935 4.375 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.779 6.223 3.826 1.00 0.00 C ATOM 0 H LEU A 30 -1.568 7.916 7.823 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.153 6.343 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.315 6.299 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.000 4.876 6.174 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.571 7.598 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.897 6.340 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.425 6.197 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.562 4.850 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.493 6.623 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.922 5.145 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.709 6.689 4.152 1.00 0.00 H new ATOM 459 N ARG A 31 -2.488 5.542 9.022 1.00 0.00 N ATOM 460 CA ARG A 31 -2.861 4.647 10.111 1.00 0.00 C ATOM 461 C ARG A 31 -4.310 4.191 9.966 1.00 0.00 C ATOM 462 O ARG A 31 -4.605 2.998 10.043 1.00 0.00 O ATOM 463 CB ARG A 31 -2.667 5.342 11.460 1.00 0.00 C ATOM 464 CG ARG A 31 -1.239 5.801 11.708 1.00 0.00 C ATOM 465 CD ARG A 31 -1.095 6.460 13.071 1.00 0.00 C ATOM 466 NE ARG A 31 -1.291 5.510 14.163 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.483 5.196 14.659 1.00 0.00 C ATOM 468 NH1 ARG A 31 -3.579 5.754 14.164 1.00 0.00 N ATOM 469 NH2 ARG A 31 -2.579 4.322 15.653 1.00 0.00 N ATOM 0 H ARG A 31 -1.888 6.318 9.301 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.215 3.770 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.332 6.204 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.964 4.660 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.565 4.947 11.642 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.941 6.503 10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.105 6.908 13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.820 7.269 13.160 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.468 5.063 14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.509 6.426 13.400 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.493 5.511 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.738 3.891 16.036 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.494 4.081 16.034 1.00 0.00 H new ATOM 483 N GLN A 32 -5.209 5.147 9.757 1.00 0.00 N ATOM 484 CA GLN A 32 -6.626 4.842 9.603 1.00 0.00 C ATOM 485 C GLN A 32 -6.957 4.512 8.151 1.00 0.00 C ATOM 486 O GLN A 32 -6.288 4.978 7.228 1.00 0.00 O ATOM 487 CB GLN A 32 -7.478 6.021 10.077 1.00 0.00 C ATOM 488 CG GLN A 32 -7.095 7.345 9.434 1.00 0.00 C ATOM 489 CD GLN A 32 -7.998 8.484 9.863 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.946 8.288 10.624 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.709 9.685 9.374 1.00 0.00 N ATOM 0 H GLN A 32 -4.981 6.139 9.690 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.853 3.970 10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.526 5.811 9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.387 6.112 11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.064 7.586 9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.135 7.243 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.914 9.802 8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.282 10.490 9.626 1.00 0.00 H new ATOM 500 N THR A 33 -7.995 3.703 7.955 1.00 0.00 N ATOM 501 CA THR A 33 -8.414 3.309 6.616 1.00 0.00 C ATOM 502 C THR A 33 -8.465 4.510 5.680 1.00 0.00 C ATOM 503 O THR A 33 -9.202 5.467 5.921 1.00 0.00 O ATOM 504 CB THR A 33 -9.796 2.630 6.638 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.864 1.689 7.715 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.071 1.920 5.321 1.00 0.00 C ATOM 0 H THR A 33 -8.560 3.309 8.707 1.00 0.00 H new ATOM 0 HA THR A 33 -7.674 2.598 6.249 1.00 0.00 H new ATOM 0 HB THR A 33 -10.552 3.402 6.782 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.747 1.263 7.722 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.053 1.448 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.049 2.643 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.309 1.159 5.152 1.00 0.00 H new ATOM 514 N TYR A 34 -7.678 4.455 4.611 1.00 0.00 N ATOM 515 CA TYR A 34 -7.633 5.540 3.638 1.00 0.00 C ATOM 516 C TYR A 34 -8.901 5.566 2.790 1.00 0.00 C ATOM 517 O TYR A 34 -9.107 4.703 1.936 1.00 0.00 O ATOM 518 CB TYR A 34 -6.406 5.394 2.737 1.00 0.00 C ATOM 519 CG TYR A 34 -5.953 6.696 2.114 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.611 7.785 2.906 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.870 6.837 0.734 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.197 8.976 2.342 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.456 8.024 0.162 1.00 0.00 C ATOM 524 CZ TYR A 34 -5.121 9.091 0.969 1.00 0.00 C ATOM 525 OH TYR A 34 -4.710 10.275 0.403 1.00 0.00 O ATOM 0 H TYR A 34 -7.063 3.670 4.396 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.565 6.481 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.586 4.975 3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.631 4.680 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.670 7.699 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.134 6.005 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.934 9.813 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.395 8.116 -0.912 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.711 10.189 -0.573 1.00 0.00 H new ATOM 535 N ILE A 35 -9.747 6.561 3.032 1.00 0.00 N ATOM 536 CA ILE A 35 -10.994 6.701 2.291 1.00 0.00 C ATOM 537 C ILE A 35 -10.854 7.723 1.168 1.00 0.00 C ATOM 538 O ILE A 35 -10.438 8.859 1.397 1.00 0.00 O ATOM 539 CB ILE A 35 -12.153 7.123 3.213 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.301 6.133 4.369 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.450 7.221 2.423 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.052 4.695 3.969 1.00 0.00 C ATOM 0 H ILE A 35 -9.591 7.283 3.736 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.219 5.724 1.864 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.928 8.105 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.605 6.407 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.306 6.218 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.260 7.520 3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.339 7.962 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.682 6.251 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.174 4.049 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.764 4.403 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.038 4.595 3.583 1.00 0.00 H new ATOM 554 N ARG A 36 -11.206 7.312 -0.046 1.00 0.00 N ATOM 555 CA ARG A 36 -11.120 8.192 -1.205 1.00 0.00 C ATOM 556 C ARG A 36 -12.254 7.910 -2.187 1.00 0.00 C ATOM 557 O ARG A 36 -12.782 6.799 -2.240 1.00 0.00 O ATOM 558 CB ARG A 36 -9.771 8.019 -1.905 1.00 0.00 C ATOM 559 CG ARG A 36 -8.685 8.937 -1.369 1.00 0.00 C ATOM 560 CD ARG A 36 -8.761 10.318 -2.001 1.00 0.00 C ATOM 561 NE ARG A 36 -9.758 11.164 -1.349 1.00 0.00 N ATOM 562 CZ ARG A 36 -9.639 11.614 -0.105 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.573 11.302 0.618 1.00 0.00 N ATOM 564 NH2 ARG A 36 -10.589 12.380 0.418 1.00 0.00 N ATOM 0 H ARG A 36 -11.553 6.375 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.211 9.221 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.446 6.984 -1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.898 8.205 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.783 9.025 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.707 8.499 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.784 10.798 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.005 10.220 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.591 11.423 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.841 10.715 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.485 11.649 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.411 12.623 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.497 12.725 1.373 1.00 0.00 H new ATOM 578 N LYS A 37 -12.624 8.923 -2.962 1.00 0.00 N ATOM 579 CA LYS A 37 -13.694 8.786 -3.943 1.00 0.00 C ATOM 580 C LYS A 37 -13.163 8.206 -5.250 1.00 0.00 C ATOM 581 O LYS A 37 -11.991 8.375 -5.585 1.00 0.00 O ATOM 582 CB LYS A 37 -14.352 10.143 -4.204 1.00 0.00 C ATOM 583 CG LYS A 37 -15.488 10.462 -3.249 1.00 0.00 C ATOM 584 CD LYS A 37 -16.349 11.602 -3.767 1.00 0.00 C ATOM 585 CE LYS A 37 -15.521 12.852 -4.027 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.342 13.950 -4.608 1.00 0.00 N ATOM 0 H LYS A 37 -12.198 9.849 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.439 8.101 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.596 10.924 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.731 10.163 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.105 9.575 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.081 10.727 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.846 11.295 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.132 11.827 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.071 13.190 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.703 12.611 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.716 14.704 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.911 13.579 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.973 14.336 -3.877 1.00 0.00 H new ATOM 600 N VAL A 38 -14.034 7.524 -5.987 1.00 0.00 N ATOM 601 CA VAL A 38 -13.654 6.921 -7.259 1.00 0.00 C ATOM 602 C VAL A 38 -13.211 7.983 -8.259 1.00 0.00 C ATOM 603 O VAL A 38 -13.612 9.142 -8.168 1.00 0.00 O ATOM 604 CB VAL A 38 -14.815 6.112 -7.866 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.541 5.802 -9.330 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.043 4.832 -7.076 1.00 0.00 C ATOM 0 H VAL A 38 -15.008 7.375 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.821 6.248 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.722 6.713 -7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.372 5.230 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.431 6.734 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.623 5.220 -9.413 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.867 4.273 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.138 4.224 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.287 5.080 -6.043 1.00 0.00 H new ATOM 616 N GLY A 39 -12.380 7.578 -9.215 1.00 0.00 N ATOM 617 CA GLY A 39 -11.896 8.507 -10.219 1.00 0.00 C ATOM 618 C GLY A 39 -10.701 9.308 -9.741 1.00 0.00 C ATOM 619 O GLY A 39 -9.710 9.442 -10.457 1.00 0.00 O ATOM 0 H GLY A 39 -12.034 6.623 -9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.623 7.955 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.700 9.189 -10.495 1.00 0.00 H new ATOM 623 N GLU A 40 -10.796 9.843 -8.528 1.00 0.00 N ATOM 624 CA GLU A 40 -9.715 10.637 -7.957 1.00 0.00 C ATOM 625 C GLU A 40 -8.416 9.837 -7.914 1.00 0.00 C ATOM 626 O GLU A 40 -8.434 8.606 -7.902 1.00 0.00 O ATOM 627 CB GLU A 40 -10.085 11.105 -6.547 1.00 0.00 C ATOM 628 CG GLU A 40 -11.261 12.065 -6.514 1.00 0.00 C ATOM 629 CD GLU A 40 -11.206 13.015 -5.333 1.00 0.00 C ATOM 630 OE1 GLU A 40 -10.384 13.955 -5.366 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.984 12.818 -4.376 1.00 0.00 O ATOM 0 H GLU A 40 -11.610 9.741 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.564 11.509 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.320 10.235 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.219 11.589 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.280 12.642 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.189 11.495 -6.474 1.00 0.00 H new ATOM 638 N GLN A 41 -7.292 10.545 -7.893 1.00 0.00 N ATOM 639 CA GLN A 41 -5.984 9.901 -7.853 1.00 0.00 C ATOM 640 C GLN A 41 -5.631 9.473 -6.433 1.00 0.00 C ATOM 641 O GLN A 41 -6.121 10.048 -5.460 1.00 0.00 O ATOM 642 CB GLN A 41 -4.911 10.846 -8.395 1.00 0.00 C ATOM 643 CG GLN A 41 -5.262 11.457 -9.742 1.00 0.00 C ATOM 644 CD GLN A 41 -6.292 12.564 -9.630 1.00 0.00 C ATOM 645 OE1 GLN A 41 -6.581 13.050 -8.536 1.00 0.00 O ATOM 646 NE2 GLN A 41 -6.852 12.969 -10.764 1.00 0.00 N ATOM 0 H GLN A 41 -7.260 11.564 -7.903 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.026 9.011 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.746 11.647 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.971 10.301 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.358 11.853 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.642 10.678 -10.402 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.582 12.538 -11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.552 13.711 -10.751 1.00 0.00 H new ATOM 655 N LEU A 42 -4.780 8.460 -6.320 1.00 0.00 N ATOM 656 CA LEU A 42 -4.361 7.954 -5.018 1.00 0.00 C ATOM 657 C LEU A 42 -2.897 8.287 -4.749 1.00 0.00 C ATOM 658 O LEU A 42 -1.995 7.634 -5.273 1.00 0.00 O ATOM 659 CB LEU A 42 -4.573 6.440 -4.944 1.00 0.00 C ATOM 660 CG LEU A 42 -6.022 5.961 -5.033 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.074 4.467 -5.313 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.772 6.291 -3.750 1.00 0.00 C ATOM 0 H LEU A 42 -4.366 7.972 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.971 8.438 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.007 5.974 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.149 6.079 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.507 6.482 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.113 4.144 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.573 4.256 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.573 3.928 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.802 5.943 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.287 5.797 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.765 7.369 -3.591 1.00 0.00 H new ATOM 674 N ASN A 43 -2.668 9.306 -3.927 1.00 0.00 N ATOM 675 CA ASN A 43 -1.313 9.725 -3.587 1.00 0.00 C ATOM 676 C ASN A 43 -0.938 9.264 -2.182 1.00 0.00 C ATOM 677 O ASN A 43 -1.580 9.641 -1.201 1.00 0.00 O ATOM 678 CB ASN A 43 -1.187 11.247 -3.688 1.00 0.00 C ATOM 679 CG ASN A 43 -1.689 11.952 -2.442 1.00 0.00 C ATOM 680 OD1 ASN A 43 -2.881 12.227 -2.309 1.00 0.00 O ATOM 681 ND2 ASN A 43 -0.777 12.248 -1.523 1.00 0.00 N ATOM 0 H ASN A 43 -3.403 9.857 -3.484 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.627 9.263 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.143 11.512 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.749 11.599 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.054 12.723 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.201 12.000 -1.676 1.00 0.00 H new ATOM 688 N LEU A 44 0.107 8.448 -2.093 1.00 0.00 N ATOM 689 CA LEU A 44 0.569 7.936 -0.807 1.00 0.00 C ATOM 690 C LEU A 44 2.087 8.036 -0.696 1.00 0.00 C ATOM 691 O LEU A 44 2.817 7.221 -1.261 1.00 0.00 O ATOM 692 CB LEU A 44 0.128 6.482 -0.627 1.00 0.00 C ATOM 693 CG LEU A 44 -1.377 6.223 -0.702 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.652 4.767 -1.045 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.050 6.601 0.610 1.00 0.00 C ATOM 0 H LEU A 44 0.650 8.127 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 44 0.124 8.544 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.619 5.877 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.489 6.131 0.340 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.794 6.846 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.728 4.602 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.204 4.530 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.221 4.125 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.121 6.410 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.629 6.005 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.883 7.659 0.813 1.00 0.00 H new ATOM 707 N VAL A 45 2.556 9.040 0.038 1.00 0.00 N ATOM 708 CA VAL A 45 3.987 9.245 0.227 1.00 0.00 C ATOM 709 C VAL A 45 4.458 8.651 1.550 1.00 0.00 C ATOM 710 O VAL A 45 4.362 9.290 2.599 1.00 0.00 O ATOM 711 CB VAL A 45 4.350 10.742 0.191 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.836 10.938 0.449 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.946 11.355 -1.141 1.00 0.00 C ATOM 0 H VAL A 45 1.966 9.724 0.511 1.00 0.00 H new ATOM 0 HA VAL A 45 4.490 8.737 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 45 3.799 11.251 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.073 12.001 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.091 10.536 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.410 10.417 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.209 12.413 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.468 10.844 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.870 11.248 -1.279 1.00 0.00 H new ATOM 723 N VAL A 46 4.967 7.425 1.494 1.00 0.00 N ATOM 724 CA VAL A 46 5.455 6.744 2.688 1.00 0.00 C ATOM 725 C VAL A 46 6.972 6.842 2.795 1.00 0.00 C ATOM 726 O VAL A 46 7.714 6.124 2.124 1.00 0.00 O ATOM 727 CB VAL A 46 5.045 5.260 2.695 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.378 4.619 4.034 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.564 5.115 2.379 1.00 0.00 C ATOM 0 H VAL A 46 5.052 6.882 0.635 1.00 0.00 H new ATOM 0 HA VAL A 46 5.001 7.242 3.544 1.00 0.00 H new ATOM 0 HB VAL A 46 5.611 4.742 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.081 3.570 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.451 4.690 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.841 5.137 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.292 4.060 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.978 5.647 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.359 5.534 1.394 1.00 0.00 H new ATOM 739 N PRO A 47 7.447 7.751 3.660 1.00 0.00 N ATOM 740 CA PRO A 47 8.881 7.963 3.877 1.00 0.00 C ATOM 741 C PRO A 47 9.539 6.791 4.597 1.00 0.00 C ATOM 742 O PRO A 47 8.974 6.231 5.537 1.00 0.00 O ATOM 743 CB PRO A 47 8.926 9.220 4.750 1.00 0.00 C ATOM 744 CG PRO A 47 7.612 9.240 5.452 1.00 0.00 C ATOM 745 CD PRO A 47 6.621 8.640 4.493 1.00 0.00 C ATOM 0 HA PRO A 47 9.425 8.060 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.753 9.180 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.066 10.117 4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.655 8.666 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.328 10.258 5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.839 8.089 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.126 9.406 3.895 1.00 0.00 H new ATOM 753 N PHE A 48 10.735 6.424 4.150 1.00 0.00 N ATOM 754 CA PHE A 48 11.470 5.317 4.751 1.00 0.00 C ATOM 755 C PHE A 48 12.945 5.670 4.918 1.00 0.00 C ATOM 756 O PHE A 48 13.504 6.434 4.131 1.00 0.00 O ATOM 757 CB PHE A 48 11.329 4.058 3.894 1.00 0.00 C ATOM 758 CG PHE A 48 11.956 4.185 2.535 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.331 4.287 2.399 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.171 4.202 1.393 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.911 4.405 1.149 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.745 4.319 0.141 1.00 0.00 C ATOM 763 CZ PHE A 48 13.117 4.420 0.019 1.00 0.00 C ATOM 0 H PHE A 48 11.216 6.877 3.373 1.00 0.00 H new ATOM 0 HA PHE A 48 11.047 5.126 5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.785 3.218 4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.271 3.824 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.957 4.274 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.098 4.123 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.984 4.485 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.121 4.331 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.568 4.511 -0.958 1.00 0.00 H new ATOM 773 N GLN A 49 13.568 5.109 5.949 1.00 0.00 N ATOM 774 CA GLN A 49 14.978 5.366 6.221 1.00 0.00 C ATOM 775 C GLN A 49 15.792 4.079 6.137 1.00 0.00 C ATOM 776 O GLN A 49 15.262 2.985 6.328 1.00 0.00 O ATOM 777 CB GLN A 49 15.146 6.000 7.602 1.00 0.00 C ATOM 778 CG GLN A 49 14.412 7.322 7.758 1.00 0.00 C ATOM 779 CD GLN A 49 15.186 8.491 7.182 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.146 8.306 6.433 1.00 0.00 O ATOM 781 NE2 GLN A 49 14.771 9.705 7.528 1.00 0.00 N ATOM 0 H GLN A 49 13.120 4.474 6.609 1.00 0.00 H new ATOM 0 HA GLN A 49 15.347 6.058 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.786 5.303 8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.207 6.158 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.442 7.255 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.220 7.504 8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.971 9.812 8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.253 10.530 7.170 1.00 0.00 H new ATOM 790 N GLY A 50 17.082 4.217 5.849 1.00 0.00 N ATOM 791 CA GLY A 50 17.948 3.057 5.744 1.00 0.00 C ATOM 792 C GLY A 50 19.194 3.335 4.927 1.00 0.00 C ATOM 793 O GLY A 50 19.268 4.337 4.215 1.00 0.00 O ATOM 0 H GLY A 50 17.543 5.112 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.238 2.732 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.395 2.235 5.289 1.00 0.00 H new ATOM 797 N LYS A 51 20.177 2.448 5.030 1.00 0.00 N ATOM 798 CA LYS A 51 21.427 2.602 4.296 1.00 0.00 C ATOM 799 C LYS A 51 22.110 1.253 4.096 1.00 0.00 C ATOM 800 O LYS A 51 21.934 0.319 4.878 1.00 0.00 O ATOM 801 CB LYS A 51 22.366 3.555 5.039 1.00 0.00 C ATOM 802 CG LYS A 51 21.850 4.982 5.113 1.00 0.00 C ATOM 803 CD LYS A 51 21.741 5.608 3.732 1.00 0.00 C ATOM 804 CE LYS A 51 21.188 7.023 3.804 1.00 0.00 C ATOM 805 NZ LYS A 51 22.218 7.998 4.257 1.00 0.00 N ATOM 0 H LYS A 51 20.132 1.614 5.615 1.00 0.00 H new ATOM 0 HA LYS A 51 21.194 3.021 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.523 3.181 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.337 3.554 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.873 4.992 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 51 22.518 5.580 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.723 5.624 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.095 4.995 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.815 7.318 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.339 7.047 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.802 8.951 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.556 7.732 5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.017 7.994 3.591 1.00 0.00 H new ATOM 819 N PRO A 52 22.910 1.146 3.025 1.00 0.00 N ATOM 820 CA PRO A 52 23.128 2.251 2.086 1.00 0.00 C ATOM 821 C PRO A 52 21.888 2.555 1.252 1.00 0.00 C ATOM 822 O PRO A 52 21.454 3.704 1.164 1.00 0.00 O ATOM 823 CB PRO A 52 24.261 1.740 1.192 1.00 0.00 C ATOM 824 CG PRO A 52 24.158 0.256 1.262 1.00 0.00 C ATOM 825 CD PRO A 52 23.664 -0.061 2.647 1.00 0.00 C ATOM 0 HA PRO A 52 23.361 3.183 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.149 2.097 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.232 2.087 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.470 -0.123 0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.125 -0.211 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.031 -0.949 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.489 -0.251 3.334 1.00 0.00 H new ATOM 833 N ARG A 53 21.322 1.519 0.642 1.00 0.00 N ATOM 834 CA ARG A 53 20.132 1.677 -0.186 1.00 0.00 C ATOM 835 C ARG A 53 19.105 0.592 0.126 1.00 0.00 C ATOM 836 O ARG A 53 19.174 -0.527 -0.384 1.00 0.00 O ATOM 837 CB ARG A 53 20.506 1.629 -1.668 1.00 0.00 C ATOM 838 CG ARG A 53 20.934 2.975 -2.232 1.00 0.00 C ATOM 839 CD ARG A 53 21.831 2.809 -3.448 1.00 0.00 C ATOM 840 NE ARG A 53 21.062 2.673 -4.682 1.00 0.00 N ATOM 841 CZ ARG A 53 21.609 2.669 -5.892 1.00 0.00 C ATOM 842 NH1 ARG A 53 22.921 2.792 -6.031 1.00 0.00 N ATOM 843 NH2 ARG A 53 20.842 2.541 -6.968 1.00 0.00 N ATOM 0 H ARG A 53 21.668 0.562 0.705 1.00 0.00 H new ATOM 0 HA ARG A 53 19.690 2.648 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.316 0.912 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.653 1.260 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.052 3.553 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.461 3.542 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 53 22.496 3.669 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 53 22.462 1.930 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 53 20.049 2.576 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 53 23.514 2.890 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 53 23.338 2.788 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.832 2.446 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.263 2.538 -7.897 1.00 0.00 H new ATOM 857 N PRO A 54 18.131 0.927 0.984 1.00 0.00 N ATOM 858 CA PRO A 54 17.072 -0.004 1.383 1.00 0.00 C ATOM 859 C PRO A 54 16.101 -0.301 0.245 1.00 0.00 C ATOM 860 O PRO A 54 15.488 0.609 -0.312 1.00 0.00 O ATOM 861 CB PRO A 54 16.356 0.736 2.516 1.00 0.00 C ATOM 862 CG PRO A 54 16.619 2.178 2.252 1.00 0.00 C ATOM 863 CD PRO A 54 17.987 2.243 1.630 1.00 0.00 C ATOM 0 HA PRO A 54 17.473 -0.974 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.287 0.522 2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.741 0.435 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.866 2.596 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.582 2.757 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.062 3.056 0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.761 2.410 2.379 1.00 0.00 H new ATOM 871 N GLN A 55 15.968 -1.579 -0.095 1.00 0.00 N ATOM 872 CA GLN A 55 15.071 -1.994 -1.167 1.00 0.00 C ATOM 873 C GLN A 55 13.613 -1.831 -0.752 1.00 0.00 C ATOM 874 O GLN A 55 13.271 -1.972 0.422 1.00 0.00 O ATOM 875 CB GLN A 55 15.344 -3.449 -1.554 1.00 0.00 C ATOM 876 CG GLN A 55 14.461 -3.954 -2.683 1.00 0.00 C ATOM 877 CD GLN A 55 14.701 -5.416 -3.003 1.00 0.00 C ATOM 878 OE1 GLN A 55 15.814 -5.922 -2.850 1.00 0.00 O ATOM 879 NE2 GLN A 55 13.658 -6.104 -3.450 1.00 0.00 N ATOM 0 H GLN A 55 16.469 -2.344 0.356 1.00 0.00 H new ATOM 0 HA GLN A 55 15.257 -1.354 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.389 -3.548 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.198 -4.082 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.415 -3.813 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.642 -3.356 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.754 -5.645 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.760 -7.092 -3.682 1.00 0.00 H new ATOM 888 N VAL A 56 12.756 -1.531 -1.724 1.00 0.00 N ATOM 889 CA VAL A 56 11.334 -1.349 -1.459 1.00 0.00 C ATOM 890 C VAL A 56 10.501 -2.399 -2.186 1.00 0.00 C ATOM 891 O VAL A 56 10.759 -2.718 -3.346 1.00 0.00 O ATOM 892 CB VAL A 56 10.859 0.053 -1.886 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.369 0.213 -1.629 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.653 1.128 -1.160 1.00 0.00 C ATOM 0 H VAL A 56 13.022 -1.409 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 56 11.195 -1.460 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 56 11.032 0.167 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.052 1.209 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.819 -0.535 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.167 0.080 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.304 2.112 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.514 1.019 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.711 1.024 -1.401 1.00 0.00 H new ATOM 904 N VAL A 57 9.499 -2.933 -1.494 1.00 0.00 N ATOM 905 CA VAL A 57 8.626 -3.947 -2.074 1.00 0.00 C ATOM 906 C VAL A 57 7.168 -3.505 -2.031 1.00 0.00 C ATOM 907 O VAL A 57 6.616 -3.253 -0.960 1.00 0.00 O ATOM 908 CB VAL A 57 8.765 -5.294 -1.339 1.00 0.00 C ATOM 909 CG1 VAL A 57 7.827 -6.329 -1.941 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.206 -5.778 -1.384 1.00 0.00 C ATOM 0 H VAL A 57 9.272 -2.681 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 57 8.934 -4.075 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 57 8.487 -5.150 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.939 -7.274 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.797 -5.982 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.072 -6.473 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.286 -6.731 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.514 -5.907 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.852 -5.044 -0.903 1.00 0.00 H new ATOM 920 N TRP A 58 6.548 -3.415 -3.202 1.00 0.00 N ATOM 921 CA TRP A 58 5.152 -3.004 -3.299 1.00 0.00 C ATOM 922 C TRP A 58 4.270 -4.170 -3.731 1.00 0.00 C ATOM 923 O TRP A 58 4.437 -4.719 -4.821 1.00 0.00 O ATOM 924 CB TRP A 58 5.007 -1.846 -4.287 1.00 0.00 C ATOM 925 CG TRP A 58 5.298 -0.507 -3.679 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.396 0.274 -3.903 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.478 0.207 -2.747 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.309 1.430 -3.166 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.141 1.414 -2.449 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.249 -0.054 -2.137 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.615 2.354 -1.567 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.728 0.879 -1.262 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.409 2.072 -0.984 1.00 0.00 C ATOM 0 H TRP A 58 6.990 -3.621 -4.098 1.00 0.00 H new ATOM 0 HA TRP A 58 4.828 -2.673 -2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.680 -2.009 -5.128 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.993 -1.843 -4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.213 0.020 -4.563 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.001 2.179 -3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.715 -0.969 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.140 3.273 -1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.779 0.686 -0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.974 2.782 -0.297 1.00 0.00 H new ATOM 944 N THR A 59 3.329 -4.546 -2.869 1.00 0.00 N ATOM 945 CA THR A 59 2.422 -5.648 -3.162 1.00 0.00 C ATOM 946 C THR A 59 1.157 -5.558 -2.315 1.00 0.00 C ATOM 947 O THR A 59 1.220 -5.542 -1.086 1.00 0.00 O ATOM 948 CB THR A 59 3.095 -7.011 -2.915 1.00 0.00 C ATOM 949 OG1 THR A 59 3.856 -6.969 -1.703 1.00 0.00 O ATOM 950 CG2 THR A 59 4.002 -7.385 -4.077 1.00 0.00 C ATOM 0 H THR A 59 3.176 -4.103 -1.963 1.00 0.00 H new ATOM 0 HA THR A 59 2.157 -5.568 -4.216 1.00 0.00 H new ATOM 0 HB THR A 59 2.314 -7.766 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.336 -6.516 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.466 -8.351 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.414 -7.445 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.777 -6.627 -4.192 1.00 0.00 H new ATOM 958 N LYS A 60 0.008 -5.500 -2.981 1.00 0.00 N ATOM 959 CA LYS A 60 -1.273 -5.414 -2.290 1.00 0.00 C ATOM 960 C LYS A 60 -1.984 -6.764 -2.292 1.00 0.00 C ATOM 961 O LYS A 60 -2.132 -7.396 -3.336 1.00 0.00 O ATOM 962 CB LYS A 60 -2.161 -4.357 -2.949 1.00 0.00 C ATOM 963 CG LYS A 60 -2.583 -4.713 -4.365 1.00 0.00 C ATOM 964 CD LYS A 60 -3.926 -5.423 -4.384 1.00 0.00 C ATOM 965 CE LYS A 60 -5.071 -4.456 -4.127 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.326 -4.890 -4.800 1.00 0.00 N ATOM 0 H LYS A 60 -0.062 -5.511 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.081 -5.126 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.053 -4.212 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.628 -3.406 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.641 -3.806 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.826 -5.351 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.068 -5.909 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.935 -6.208 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.244 -4.375 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.794 -3.463 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.988 -4.090 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.108 -5.219 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.760 -5.665 -4.259 1.00 0.00 H new ATOM 980 N GLY A 61 -2.424 -7.198 -1.114 1.00 0.00 N ATOM 981 CA GLY A 61 -3.115 -8.469 -1.003 1.00 0.00 C ATOM 982 C GLY A 61 -2.173 -9.652 -1.103 1.00 0.00 C ATOM 983 O GLY A 61 -2.568 -10.791 -0.860 1.00 0.00 O ATOM 0 H GLY A 61 -2.314 -6.692 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.644 -8.509 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.867 -8.540 -1.789 1.00 0.00 H new ATOM 987 N GLY A 62 -0.922 -9.382 -1.464 1.00 0.00 N ATOM 988 CA GLY A 62 0.059 -10.444 -1.591 1.00 0.00 C ATOM 989 C GLY A 62 0.344 -10.800 -3.037 1.00 0.00 C ATOM 990 O GLY A 62 0.574 -11.964 -3.362 1.00 0.00 O ATOM 0 H GLY A 62 -0.571 -8.447 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.986 -10.138 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.299 -11.330 -1.066 1.00 0.00 H new ATOM 994 N ALA A 63 0.328 -9.795 -3.906 1.00 0.00 N ATOM 995 CA ALA A 63 0.587 -10.008 -5.325 1.00 0.00 C ATOM 996 C ALA A 63 1.234 -8.779 -5.955 1.00 0.00 C ATOM 997 O ALA A 63 0.961 -7.640 -5.575 1.00 0.00 O ATOM 998 CB ALA A 63 -0.703 -10.358 -6.050 1.00 0.00 C ATOM 0 H ALA A 63 0.138 -8.825 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 63 1.282 -10.842 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.495 -10.514 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.124 -11.269 -5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.417 -9.542 -5.937 1.00 0.00 H new ATOM 1004 N PRO A 64 2.112 -9.012 -6.941 1.00 0.00 N ATOM 1005 CA PRO A 64 2.816 -7.935 -7.645 1.00 0.00 C ATOM 1006 C PRO A 64 1.885 -7.119 -8.534 1.00 0.00 C ATOM 1007 O PRO A 64 1.324 -7.634 -9.503 1.00 0.00 O ATOM 1008 CB PRO A 64 3.848 -8.682 -8.494 1.00 0.00 C ATOM 1009 CG PRO A 64 3.263 -10.037 -8.696 1.00 0.00 C ATOM 1010 CD PRO A 64 2.486 -10.344 -7.446 1.00 0.00 C ATOM 0 HA PRO A 64 3.253 -7.214 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.017 -8.178 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.811 -8.738 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.615 -10.055 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.044 -10.779 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.608 -10.954 -7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.089 -10.893 -6.723 1.00 0.00 H new ATOM 1018 N LEU A 65 1.725 -5.843 -8.201 1.00 0.00 N ATOM 1019 CA LEU A 65 0.861 -4.954 -8.970 1.00 0.00 C ATOM 1020 C LEU A 65 1.103 -5.121 -10.467 1.00 0.00 C ATOM 1021 O LEU A 65 2.183 -5.534 -10.890 1.00 0.00 O ATOM 1022 CB LEU A 65 1.102 -3.499 -8.563 1.00 0.00 C ATOM 1023 CG LEU A 65 0.223 -2.964 -7.433 1.00 0.00 C ATOM 1024 CD1 LEU A 65 0.604 -3.609 -6.109 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.334 -1.449 -7.341 1.00 0.00 C ATOM 0 H LEU A 65 2.182 -5.401 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.174 -5.219 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.145 -3.394 -8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.956 -2.868 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.813 -3.219 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.032 -3.216 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.472 -4.689 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.646 -3.385 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.299 -1.086 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.370 -1.171 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.011 -1.003 -8.281 1.00 0.00 H new ATOM 1037 N ASP A 66 0.091 -4.796 -11.264 1.00 0.00 N ATOM 1038 CA ASP A 66 0.193 -4.908 -12.714 1.00 0.00 C ATOM 1039 C ASP A 66 1.292 -3.996 -13.253 1.00 0.00 C ATOM 1040 O ASP A 66 1.705 -4.118 -14.407 1.00 0.00 O ATOM 1041 CB ASP A 66 -1.143 -4.558 -13.370 1.00 0.00 C ATOM 1042 CG ASP A 66 -2.111 -5.725 -13.370 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -1.937 -6.640 -14.202 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -3.042 -5.724 -12.538 1.00 0.00 O ATOM 0 H ASP A 66 -0.810 -4.453 -10.930 1.00 0.00 H new ATOM 0 HA ASP A 66 0.449 -5.939 -12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.593 -3.716 -12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.967 -4.235 -14.396 1.00 0.00 H new ATOM 1049 N THR A 67 1.762 -3.082 -12.410 1.00 0.00 N ATOM 1050 CA THR A 67 2.811 -2.149 -12.801 1.00 0.00 C ATOM 1051 C THR A 67 2.543 -1.570 -14.186 1.00 0.00 C ATOM 1052 O THR A 67 3.464 -1.390 -14.983 1.00 0.00 O ATOM 1053 CB THR A 67 4.194 -2.825 -12.799 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.232 -3.867 -13.780 1.00 0.00 O ATOM 1055 CG2 THR A 67 4.513 -3.402 -11.428 1.00 0.00 C ATOM 0 H THR A 67 1.432 -2.968 -11.451 1.00 0.00 H new ATOM 0 HA THR A 67 2.808 -1.344 -12.066 1.00 0.00 H new ATOM 0 HB THR A 67 4.942 -2.070 -13.042 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.428 -3.821 -14.338 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.495 -3.874 -11.452 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.513 -2.602 -10.688 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.760 -4.144 -11.161 1.00 0.00 H new ATOM 1063 N SER A 68 1.276 -1.279 -14.466 1.00 0.00 N ATOM 1064 CA SER A 68 0.887 -0.722 -15.756 1.00 0.00 C ATOM 1065 C SER A 68 0.210 0.634 -15.581 1.00 0.00 C ATOM 1066 O SER A 68 0.384 1.537 -16.399 1.00 0.00 O ATOM 1067 CB SER A 68 -0.052 -1.684 -16.487 1.00 0.00 C ATOM 1068 OG SER A 68 0.677 -2.611 -17.272 1.00 0.00 O ATOM 0 H SER A 68 0.502 -1.420 -13.817 1.00 0.00 H new ATOM 0 HA SER A 68 1.789 -0.583 -16.352 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.665 -2.220 -15.762 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.732 -1.119 -17.124 1.00 0.00 H new ATOM 0 HG SER A 68 0.054 -3.215 -17.727 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.563 0.768 -14.509 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.268 2.012 -14.226 1.00 0.00 C ATOM 1076 C ARG A 69 -0.769 2.637 -12.926 1.00 0.00 C ATOM 1077 O ARG A 69 -0.897 3.843 -12.715 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.775 1.761 -14.138 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.212 1.133 -12.825 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.726 1.129 -12.686 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.323 -0.084 -13.238 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.611 -0.388 -13.122 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -7.432 0.428 -12.477 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.079 -1.511 -13.651 1.00 0.00 N ATOM 0 H ARG A 69 -0.717 0.030 -13.822 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.069 2.706 -15.042 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.301 2.707 -14.271 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.075 1.111 -14.960 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.838 0.111 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.771 1.682 -11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.994 1.218 -11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.139 2.000 -13.195 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.718 -0.734 -13.740 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.075 1.292 -12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.421 0.192 -12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.450 -2.142 -14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.068 -1.744 -13.561 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.199 1.807 -12.058 1.00 0.00 N ATOM 1099 CA VAL A 70 0.320 2.277 -10.779 1.00 0.00 C ATOM 1100 C VAL A 70 1.727 2.844 -10.932 1.00 0.00 C ATOM 1101 O VAL A 70 2.674 2.113 -11.222 1.00 0.00 O ATOM 1102 CB VAL A 70 0.344 1.147 -9.733 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.932 1.645 -8.421 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.054 0.586 -9.522 1.00 0.00 C ATOM 0 H VAL A 70 -0.085 0.806 -12.217 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.351 3.065 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 70 0.980 0.344 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.941 0.832 -7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.951 1.993 -8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.326 2.467 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.018 -0.211 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.715 1.379 -9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.432 0.188 -10.464 1.00 0.00 H new ATOM 1114 N HIS A 71 1.856 4.152 -10.734 1.00 0.00 N ATOM 1115 CA HIS A 71 3.149 4.818 -10.848 1.00 0.00 C ATOM 1116 C HIS A 71 3.839 4.903 -9.490 1.00 0.00 C ATOM 1117 O HIS A 71 3.512 5.759 -8.668 1.00 0.00 O ATOM 1118 CB HIS A 71 2.974 6.220 -11.433 1.00 0.00 C ATOM 1119 CG HIS A 71 2.328 6.230 -12.784 1.00 0.00 C ATOM 1120 ND1 HIS A 71 1.203 5.492 -13.085 1.00 0.00 N ATOM 1121 CD2 HIS A 71 2.654 6.895 -13.917 1.00 0.00 C ATOM 1122 CE1 HIS A 71 0.866 5.701 -14.345 1.00 0.00 C ATOM 1123 NE2 HIS A 71 1.730 6.549 -14.872 1.00 0.00 N ATOM 0 H HIS A 71 1.082 4.771 -10.494 1.00 0.00 H new ATOM 0 HA HIS A 71 3.776 4.228 -11.517 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.373 6.818 -10.748 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.950 6.700 -11.503 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.708 4.880 -12.436 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.486 7.572 -14.046 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.027 5.254 -14.857 1.00 0.00 H new ATOM 1132 N VAL A 72 4.795 4.008 -9.261 1.00 0.00 N ATOM 1133 CA VAL A 72 5.532 3.982 -8.003 1.00 0.00 C ATOM 1134 C VAL A 72 6.955 4.497 -8.188 1.00 0.00 C ATOM 1135 O VAL A 72 7.780 3.851 -8.834 1.00 0.00 O ATOM 1136 CB VAL A 72 5.585 2.560 -7.413 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.226 2.577 -6.034 1.00 0.00 C ATOM 1138 CG2 VAL A 72 4.190 1.956 -7.354 1.00 0.00 C ATOM 0 H VAL A 72 5.077 3.292 -9.930 1.00 0.00 H new ATOM 0 HA VAL A 72 5.000 4.635 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 72 6.199 1.938 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.255 1.564 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.241 2.966 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.642 3.214 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.246 0.951 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.551 2.576 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.772 1.907 -8.359 1.00 0.00 H new ATOM 1148 N ARG A 73 7.235 5.664 -7.617 1.00 0.00 N ATOM 1149 CA ARG A 73 8.558 6.266 -7.720 1.00 0.00 C ATOM 1150 C ARG A 73 9.397 5.950 -6.485 1.00 0.00 C ATOM 1151 O ARG A 73 9.296 6.628 -5.462 1.00 0.00 O ATOM 1152 CB ARG A 73 8.440 7.781 -7.895 1.00 0.00 C ATOM 1153 CG ARG A 73 7.877 8.196 -9.245 1.00 0.00 C ATOM 1154 CD ARG A 73 8.870 7.934 -10.367 1.00 0.00 C ATOM 1155 NE ARG A 73 9.792 9.050 -10.554 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.952 9.160 -9.916 1.00 0.00 C ATOM 1157 NH1 ARG A 73 11.330 8.225 -9.055 1.00 0.00 N ATOM 1158 NH2 ARG A 73 11.738 10.205 -10.140 1.00 0.00 N ATOM 0 H ARG A 73 6.563 6.211 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 73 9.055 5.844 -8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.802 8.181 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.425 8.231 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.954 7.649 -9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.621 9.255 -9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.436 7.029 -10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.328 7.752 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 73 9.531 9.786 -11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.730 7.419 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.221 8.312 -8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.452 10.926 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.628 10.288 -9.649 1.00 0.00 H new ATOM 1172 N THR A 74 10.225 4.915 -6.587 1.00 0.00 N ATOM 1173 CA THR A 74 11.079 4.507 -5.479 1.00 0.00 C ATOM 1174 C THR A 74 12.358 5.336 -5.438 1.00 0.00 C ATOM 1175 O THR A 74 13.236 5.184 -6.288 1.00 0.00 O ATOM 1176 CB THR A 74 11.451 3.015 -5.575 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.263 2.217 -5.622 1.00 0.00 O ATOM 1178 CG2 THR A 74 12.306 2.593 -4.390 1.00 0.00 C ATOM 0 H THR A 74 10.322 4.344 -7.426 1.00 0.00 H new ATOM 0 HA THR A 74 10.511 4.673 -4.564 1.00 0.00 H new ATOM 0 HB THR A 74 12.026 2.864 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.507 1.270 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 74 12.556 1.536 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 74 13.223 3.183 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.753 2.758 -3.465 1.00 0.00 H new ATOM 1186 N SER A 75 12.458 6.212 -4.443 1.00 0.00 N ATOM 1187 CA SER A 75 13.629 7.068 -4.293 1.00 0.00 C ATOM 1188 C SER A 75 14.418 6.694 -3.041 1.00 0.00 C ATOM 1189 O SER A 75 13.845 6.494 -1.970 1.00 0.00 O ATOM 1190 CB SER A 75 13.209 8.537 -4.225 1.00 0.00 C ATOM 1191 OG SER A 75 14.233 9.384 -4.717 1.00 0.00 O ATOM 0 H SER A 75 11.742 6.347 -3.729 1.00 0.00 H new ATOM 0 HA SER A 75 14.269 6.921 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.299 8.686 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.976 8.804 -3.194 1.00 0.00 H new ATOM 0 HG SER A 75 13.939 10.317 -4.664 1.00 0.00 H new ATOM 1197 N ASP A 76 15.735 6.602 -3.185 1.00 0.00 N ATOM 1198 CA ASP A 76 16.604 6.254 -2.067 1.00 0.00 C ATOM 1199 C ASP A 76 16.157 6.960 -0.791 1.00 0.00 C ATOM 1200 O ASP A 76 16.427 6.494 0.316 1.00 0.00 O ATOM 1201 CB ASP A 76 18.054 6.620 -2.387 1.00 0.00 C ATOM 1202 CG ASP A 76 18.167 7.929 -3.144 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.749 7.972 -4.321 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.673 8.910 -2.561 1.00 0.00 O ATOM 0 H ASP A 76 16.225 6.764 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 76 16.536 5.178 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.621 6.690 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.505 5.822 -2.977 1.00 0.00 H new ATOM 1209 N PHE A 77 15.474 8.088 -0.954 1.00 0.00 N ATOM 1210 CA PHE A 77 14.991 8.860 0.185 1.00 0.00 C ATOM 1211 C PHE A 77 13.670 8.298 0.703 1.00 0.00 C ATOM 1212 O PHE A 77 13.573 7.872 1.854 1.00 0.00 O ATOM 1213 CB PHE A 77 14.815 10.329 -0.206 1.00 0.00 C ATOM 1214 CG PHE A 77 16.113 11.073 -0.342 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.925 10.879 -1.449 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.522 11.966 0.635 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.120 11.561 -1.576 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.716 12.651 0.513 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.515 12.449 -0.595 1.00 0.00 C ATOM 0 H PHE A 77 15.242 8.488 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 77 15.732 8.789 0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.274 10.383 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.198 10.825 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.620 10.187 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.900 12.129 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.745 11.400 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.024 13.343 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.447 12.985 -0.694 1.00 0.00 H new ATOM 1229 N ASP A 78 12.656 8.302 -0.155 1.00 0.00 N ATOM 1230 CA ASP A 78 11.340 7.793 0.214 1.00 0.00 C ATOM 1231 C ASP A 78 10.607 7.247 -1.007 1.00 0.00 C ATOM 1232 O ASP A 78 11.002 7.498 -2.146 1.00 0.00 O ATOM 1233 CB ASP A 78 10.510 8.895 0.873 1.00 0.00 C ATOM 1234 CG ASP A 78 10.542 10.192 0.088 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.649 10.631 -0.286 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.460 10.769 -0.150 1.00 0.00 O ATOM 0 H ASP A 78 12.720 8.652 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 78 11.479 6.979 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.478 8.559 0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.884 9.074 1.881 1.00 0.00 H new ATOM 1241 N THR A 79 9.536 6.497 -0.762 1.00 0.00 N ATOM 1242 CA THR A 79 8.749 5.914 -1.840 1.00 0.00 C ATOM 1243 C THR A 79 7.484 6.724 -2.098 1.00 0.00 C ATOM 1244 O THR A 79 7.000 7.436 -1.218 1.00 0.00 O ATOM 1245 CB THR A 79 8.357 4.458 -1.525 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.623 3.900 -2.621 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.518 4.385 -0.258 1.00 0.00 C ATOM 0 H THR A 79 9.195 6.280 0.174 1.00 0.00 H new ATOM 0 HA THR A 79 9.375 5.929 -2.732 1.00 0.00 H new ATOM 0 HB THR A 79 9.271 3.885 -1.370 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.666 4.066 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.253 3.347 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.090 4.783 0.580 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.609 4.972 -0.389 1.00 0.00 H new ATOM 1255 N VAL A 80 6.951 6.612 -3.311 1.00 0.00 N ATOM 1256 CA VAL A 80 5.741 7.333 -3.684 1.00 0.00 C ATOM 1257 C VAL A 80 4.805 6.450 -4.502 1.00 0.00 C ATOM 1258 O VAL A 80 5.241 5.727 -5.397 1.00 0.00 O ATOM 1259 CB VAL A 80 6.070 8.601 -4.494 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.799 9.368 -4.827 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.049 9.481 -3.731 1.00 0.00 C ATOM 0 H VAL A 80 7.339 6.028 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 80 5.246 7.621 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 80 6.540 8.301 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.052 10.260 -5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.136 8.735 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.297 9.659 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.271 10.372 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.608 9.774 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.970 8.928 -3.550 1.00 0.00 H new ATOM 1271 N PHE A 81 3.515 6.514 -4.187 1.00 0.00 N ATOM 1272 CA PHE A 81 2.516 5.720 -4.893 1.00 0.00 C ATOM 1273 C PHE A 81 1.455 6.617 -5.524 1.00 0.00 C ATOM 1274 O PHE A 81 0.886 7.486 -4.863 1.00 0.00 O ATOM 1275 CB PHE A 81 1.855 4.726 -3.935 1.00 0.00 C ATOM 1276 CG PHE A 81 0.613 4.092 -4.493 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.621 4.704 -4.341 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.679 2.884 -5.169 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.766 4.122 -4.852 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.462 2.298 -5.683 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.686 2.918 -5.525 1.00 0.00 C ATOM 0 H PHE A 81 3.137 7.107 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 81 3.020 5.169 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.572 3.944 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.606 5.239 -3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.689 5.646 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.634 2.395 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.722 4.608 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.397 1.356 -6.208 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.579 2.462 -5.927 1.00 0.00 H new ATOM 1291 N PHE A 82 1.194 6.399 -6.809 1.00 0.00 N ATOM 1292 CA PHE A 82 0.203 7.188 -7.532 1.00 0.00 C ATOM 1293 C PHE A 82 -0.727 6.286 -8.339 1.00 0.00 C ATOM 1294 O PHE A 82 -0.366 5.164 -8.695 1.00 0.00 O ATOM 1295 CB PHE A 82 0.894 8.188 -8.460 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.029 8.805 -9.472 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.741 9.954 -9.169 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.186 8.235 -10.725 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.592 10.525 -10.097 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.034 8.801 -11.657 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.739 9.947 -11.343 1.00 0.00 C ATOM 0 H PHE A 82 1.655 5.683 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.393 7.734 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.342 8.979 -7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.708 7.685 -8.982 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.630 10.409 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.361 7.338 -10.976 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.141 11.421 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.146 8.348 -12.631 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.404 10.390 -12.070 1.00 0.00 H new ATOM 1311 N VAL A 83 -1.925 6.785 -8.624 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.907 6.026 -9.389 1.00 0.00 C ATOM 1313 C VAL A 83 -3.757 6.946 -10.258 1.00 0.00 C ATOM 1314 O VAL A 83 -4.319 7.929 -9.774 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.832 5.212 -8.464 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.632 4.198 -9.267 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.024 4.523 -7.375 1.00 0.00 C ATOM 0 H VAL A 83 -2.239 7.712 -8.337 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.350 5.341 -10.028 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.533 5.897 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.280 3.633 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.241 4.718 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.950 3.516 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.693 3.953 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.298 3.850 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.500 5.272 -6.781 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.848 6.620 -11.543 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.629 7.417 -12.480 1.00 0.00 C ATOM 1329 C ARG A 84 -6.042 7.648 -11.952 1.00 0.00 C ATOM 1330 O ARG A 84 -6.453 8.787 -11.730 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.690 6.726 -13.844 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.526 7.475 -14.869 1.00 0.00 C ATOM 1333 CD ARG A 84 -6.098 6.533 -15.917 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.176 6.330 -17.032 1.00 0.00 N ATOM 1335 CZ ARG A 84 -5.473 5.612 -18.110 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -6.661 5.032 -18.217 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -4.582 5.474 -19.083 1.00 0.00 N ATOM 0 H ARG A 84 -3.390 5.809 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.138 8.384 -12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.677 6.610 -14.229 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.099 5.724 -13.716 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.339 7.997 -14.365 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.913 8.234 -15.356 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.326 5.572 -15.455 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.038 6.937 -16.293 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.254 6.763 -16.980 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.349 5.137 -17.471 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.887 4.481 -19.045 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.668 5.919 -19.004 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.811 4.923 -19.910 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.779 6.561 -11.752 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.146 6.646 -11.251 1.00 0.00 C ATOM 1353 C GLN A 85 -8.378 5.637 -10.131 1.00 0.00 C ATOM 1354 O GLN A 85 -8.119 4.445 -10.292 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.143 6.405 -12.385 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.016 7.399 -13.529 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.328 7.628 -14.252 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.803 6.764 -14.989 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.922 8.797 -14.045 1.00 0.00 N ATOM 0 H GLN A 85 -6.453 5.611 -11.929 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.298 7.648 -10.850 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.002 5.397 -12.774 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.155 6.453 -11.984 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.649 8.349 -13.141 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.273 7.037 -14.239 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.493 9.485 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.808 9.008 -14.505 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.868 6.124 -8.995 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.138 5.265 -7.849 1.00 0.00 C ATOM 1370 C ALA A 86 -10.324 4.346 -8.118 1.00 0.00 C ATOM 1371 O ALA A 86 -11.460 4.665 -7.769 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.390 6.106 -6.607 1.00 0.00 C ATOM 0 H ALA A 86 -9.086 7.109 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.260 4.641 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.590 5.451 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.511 6.715 -6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.249 6.755 -6.775 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.053 3.204 -8.742 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.099 2.239 -9.057 1.00 0.00 C ATOM 1380 C ALA A 87 -11.369 1.316 -7.873 1.00 0.00 C ATOM 1381 O ALA A 87 -10.440 0.839 -7.222 1.00 0.00 O ATOM 1382 CB ALA A 87 -10.715 1.426 -10.285 1.00 0.00 C ATOM 0 H ALA A 87 -9.118 2.925 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.015 2.790 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.505 0.709 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.579 2.094 -11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.785 0.892 -10.091 1.00 0.00 H new ATOM 1388 N ARG A 88 -12.646 1.070 -7.600 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.038 0.207 -6.493 1.00 0.00 C ATOM 1390 C ARG A 88 -12.137 -1.022 -6.416 1.00 0.00 C ATOM 1391 O ARG A 88 -11.853 -1.530 -5.331 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.497 -0.227 -6.648 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.482 0.930 -6.626 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.917 0.439 -6.517 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.332 -0.304 -7.704 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.387 -1.111 -7.734 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -19.129 -1.279 -6.648 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -18.701 -1.753 -8.852 1.00 0.00 N ATOM 0 H ARG A 88 -13.427 1.456 -8.131 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.931 0.774 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.608 -0.770 -7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.748 -0.922 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.256 1.586 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.368 1.524 -7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.017 -0.197 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.582 1.291 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.782 -0.198 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.890 -0.788 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.938 -1.899 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.132 -1.627 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.511 -2.372 -8.874 1.00 0.00 H new ATOM 1412 N SER A 89 -11.690 -1.495 -7.575 1.00 0.00 N ATOM 1413 CA SER A 89 -10.824 -2.667 -7.640 1.00 0.00 C ATOM 1414 C SER A 89 -9.568 -2.461 -6.799 1.00 0.00 C ATOM 1415 O SER A 89 -9.226 -3.295 -5.960 1.00 0.00 O ATOM 1416 CB SER A 89 -10.438 -2.962 -9.091 1.00 0.00 C ATOM 1417 OG SER A 89 -11.524 -3.529 -9.802 1.00 0.00 O ATOM 0 H SER A 89 -11.913 -1.085 -8.482 1.00 0.00 H new ATOM 0 HA SER A 89 -11.374 -3.518 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.120 -2.041 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.589 -3.645 -9.113 1.00 0.00 H new ATOM 0 HG SER A 89 -11.253 -3.707 -10.727 1.00 0.00 H new ATOM 1423 N ASP A 90 -8.885 -1.345 -7.030 1.00 0.00 N ATOM 1424 CA ASP A 90 -7.667 -1.028 -6.294 1.00 0.00 C ATOM 1425 C ASP A 90 -7.843 -1.309 -4.805 1.00 0.00 C ATOM 1426 O ASP A 90 -6.942 -1.835 -4.152 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.284 0.438 -6.508 1.00 0.00 C ATOM 1428 CG ASP A 90 -5.945 0.782 -5.886 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -4.905 0.415 -6.473 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -5.936 1.420 -4.812 1.00 0.00 O ATOM 0 H ASP A 90 -9.154 -0.645 -7.721 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.867 -1.664 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.250 0.650 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.055 1.078 -6.080 1.00 0.00 H new ATOM 1435 N SER A 91 -9.009 -0.953 -4.275 1.00 0.00 N ATOM 1436 CA SER A 91 -9.301 -1.162 -2.862 1.00 0.00 C ATOM 1437 C SER A 91 -8.680 -2.464 -2.365 1.00 0.00 C ATOM 1438 O SER A 91 -9.000 -3.545 -2.858 1.00 0.00 O ATOM 1439 CB SER A 91 -10.813 -1.184 -2.630 1.00 0.00 C ATOM 1440 OG SER A 91 -11.369 -2.431 -3.009 1.00 0.00 O ATOM 0 H SER A 91 -9.766 -0.519 -4.803 1.00 0.00 H new ATOM 0 HA SER A 91 -8.866 -0.335 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.026 -0.992 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.283 -0.384 -3.201 1.00 0.00 H new ATOM 0 HG SER A 91 -11.480 -2.457 -3.982 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.788 -2.351 -1.385 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.135 -3.526 -0.838 1.00 0.00 C ATOM 1448 C GLY A 92 -6.181 -3.186 0.290 1.00 0.00 C ATOM 1449 O GLY A 92 -6.325 -2.153 0.943 1.00 0.00 O ATOM 0 H GLY A 92 -7.506 -1.467 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.891 -4.221 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.588 -4.036 -1.631 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.205 -4.059 0.521 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.225 -3.846 1.580 1.00 0.00 C ATOM 1455 C GLU A 93 -2.805 -3.888 1.023 1.00 0.00 C ATOM 1456 O GLU A 93 -2.311 -4.947 0.634 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.388 -4.902 2.675 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.417 -4.734 3.831 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.121 -5.492 3.619 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.067 -6.686 3.983 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.161 -4.893 3.091 1.00 0.00 O ATOM 0 H GLU A 93 -5.072 -4.919 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.399 -2.859 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.407 -4.861 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.252 -5.891 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.196 -3.675 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.889 -5.079 4.751 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.155 -2.731 0.989 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.792 -2.634 0.478 1.00 0.00 C ATOM 1470 C TYR A 94 0.225 -2.857 1.594 1.00 0.00 C ATOM 1471 O TYR A 94 0.247 -2.125 2.583 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.564 -1.268 -0.170 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.237 -1.116 -1.516 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.568 -1.471 -1.693 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.540 -0.617 -2.610 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.186 -1.335 -2.921 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.151 -0.476 -3.841 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.473 -0.837 -3.992 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.086 -0.699 -5.216 1.00 0.00 O ATOM 0 H TYR A 94 -2.549 -1.846 1.309 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.656 -3.412 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.932 -0.491 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.507 -1.106 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.129 -1.860 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.496 -0.335 -2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.222 -1.617 -3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.596 -0.085 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.769 0.002 -5.163 1.00 0.00 H new ATOM 1489 N GLU A 95 1.066 -3.872 1.425 1.00 0.00 N ATOM 1490 CA GLU A 95 2.086 -4.192 2.417 1.00 0.00 C ATOM 1491 C GLU A 95 3.475 -3.821 1.907 1.00 0.00 C ATOM 1492 O GLU A 95 3.994 -4.441 0.978 1.00 0.00 O ATOM 1493 CB GLU A 95 2.040 -5.680 2.767 1.00 0.00 C ATOM 1494 CG GLU A 95 2.859 -6.043 3.993 1.00 0.00 C ATOM 1495 CD GLU A 95 3.217 -7.516 4.042 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.425 -8.300 4.605 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.289 -7.884 3.518 1.00 0.00 O ATOM 0 H GLU A 95 1.061 -4.487 0.611 1.00 0.00 H new ATOM 0 HA GLU A 95 1.879 -3.609 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.003 -5.973 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.402 -6.256 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.774 -5.450 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.299 -5.779 4.890 1.00 0.00 H new ATOM 1504 N LEU A 96 4.073 -2.805 2.521 1.00 0.00 N ATOM 1505 CA LEU A 96 5.402 -2.350 2.130 1.00 0.00 C ATOM 1506 C LEU A 96 6.475 -2.983 3.011 1.00 0.00 C ATOM 1507 O LEU A 96 6.500 -2.773 4.224 1.00 0.00 O ATOM 1508 CB LEU A 96 5.487 -0.825 2.219 1.00 0.00 C ATOM 1509 CG LEU A 96 6.896 -0.231 2.220 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.501 -0.288 0.826 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.870 1.202 2.733 1.00 0.00 C ATOM 0 H LEU A 96 3.658 -2.281 3.292 1.00 0.00 H new ATOM 0 HA LEU A 96 5.576 -2.658 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.936 -0.401 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.979 -0.505 3.129 1.00 0.00 H new ATOM 0 HG LEU A 96 7.519 -0.825 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.504 0.139 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.555 -1.325 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.878 0.281 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.881 1.609 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.231 1.807 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.479 1.217 3.750 1.00 0.00 H new ATOM 1523 N SER A 97 7.362 -3.756 2.392 1.00 0.00 N ATOM 1524 CA SER A 97 8.437 -4.420 3.120 1.00 0.00 C ATOM 1525 C SER A 97 9.800 -3.951 2.622 1.00 0.00 C ATOM 1526 O SER A 97 10.097 -4.020 1.429 1.00 0.00 O ATOM 1527 CB SER A 97 8.321 -5.938 2.969 1.00 0.00 C ATOM 1528 OG SER A 97 6.966 -6.337 2.853 1.00 0.00 O ATOM 0 H SER A 97 7.357 -3.938 1.388 1.00 0.00 H new ATOM 0 HA SER A 97 8.345 -4.158 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.876 -6.262 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.775 -6.428 3.830 1.00 0.00 H new ATOM 0 HG SER A 97 6.919 -7.311 2.756 1.00 0.00 H new ATOM 1534 N VAL A 98 10.628 -3.473 3.546 1.00 0.00 N ATOM 1535 CA VAL A 98 11.961 -2.992 3.204 1.00 0.00 C ATOM 1536 C VAL A 98 13.010 -4.075 3.431 1.00 0.00 C ATOM 1537 O VAL A 98 13.354 -4.390 4.569 1.00 0.00 O ATOM 1538 CB VAL A 98 12.338 -1.747 4.028 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.662 -1.171 3.550 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.234 -0.703 3.950 1.00 0.00 C ATOM 0 H VAL A 98 10.398 -3.409 4.538 1.00 0.00 H new ATOM 0 HA VAL A 98 11.940 -2.725 2.147 1.00 0.00 H new ATOM 0 HB VAL A 98 12.454 -2.044 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.912 -0.292 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.446 -1.920 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.578 -0.888 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.517 0.170 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.085 -0.408 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.308 -1.122 4.345 1.00 0.00 H new ATOM 1550 N GLN A 99 13.515 -4.640 2.339 1.00 0.00 N ATOM 1551 CA GLN A 99 14.525 -5.688 2.419 1.00 0.00 C ATOM 1552 C GLN A 99 15.929 -5.093 2.406 1.00 0.00 C ATOM 1553 O GLN A 99 16.279 -4.323 1.510 1.00 0.00 O ATOM 1554 CB GLN A 99 14.364 -6.671 1.258 1.00 0.00 C ATOM 1555 CG GLN A 99 14.818 -8.084 1.589 1.00 0.00 C ATOM 1556 CD GLN A 99 14.608 -9.049 0.439 1.00 0.00 C ATOM 1557 OE1 GLN A 99 15.567 -9.520 -0.174 1.00 0.00 O ATOM 1558 NE2 GLN A 99 13.350 -9.350 0.140 1.00 0.00 N ATOM 0 H GLN A 99 13.241 -4.390 1.389 1.00 0.00 H new ATOM 0 HA GLN A 99 14.385 -6.221 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.317 -6.696 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.933 -6.307 0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.874 -8.069 1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.273 -8.441 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.586 -8.937 0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.148 -9.995 -0.624 1.00 0.00 H new ATOM 1567 N ILE A 100 16.729 -5.454 3.403 1.00 0.00 N ATOM 1568 CA ILE A 100 18.095 -4.956 3.505 1.00 0.00 C ATOM 1569 C ILE A 100 19.101 -6.102 3.495 1.00 0.00 C ATOM 1570 O ILE A 100 18.752 -7.249 3.776 1.00 0.00 O ATOM 1571 CB ILE A 100 18.297 -4.123 4.784 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.221 -3.040 4.888 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.685 -3.501 4.799 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.459 -1.862 3.969 1.00 0.00 C ATOM 0 H ILE A 100 16.455 -6.090 4.152 1.00 0.00 H new ATOM 0 HA ILE A 100 18.264 -4.320 2.636 1.00 0.00 H new ATOM 0 HB ILE A 100 18.207 -4.783 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.251 -3.480 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.173 -2.684 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.812 -2.916 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.437 -4.289 4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.802 -2.852 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.658 -1.134 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.414 -1.397 4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.477 -2.205 2.935 1.00 0.00 H new ATOM 1586 N GLU A 101 20.350 -5.784 3.171 1.00 0.00 N ATOM 1587 CA GLU A 101 21.406 -6.788 3.126 1.00 0.00 C ATOM 1588 C GLU A 101 21.176 -7.868 4.179 1.00 0.00 C ATOM 1589 O GLU A 101 21.227 -9.061 3.881 1.00 0.00 O ATOM 1590 CB GLU A 101 22.773 -6.133 3.342 1.00 0.00 C ATOM 1591 CG GLU A 101 23.318 -5.441 2.105 1.00 0.00 C ATOM 1592 CD GLU A 101 23.521 -6.395 0.944 1.00 0.00 C ATOM 1593 OE1 GLU A 101 24.540 -7.116 0.941 1.00 0.00 O ATOM 1594 OE2 GLU A 101 22.661 -6.420 0.039 1.00 0.00 O ATOM 0 H GLU A 101 20.655 -4.840 2.936 1.00 0.00 H new ATOM 0 HA GLU A 101 21.386 -7.255 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.694 -5.406 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.484 -6.893 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.632 -4.649 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.267 -4.964 2.349 1.00 0.00 H new ATOM 1601 N ASN A 102 20.922 -7.441 5.411 1.00 0.00 N ATOM 1602 CA ASN A 102 20.685 -8.371 6.509 1.00 0.00 C ATOM 1603 C ASN A 102 19.423 -7.992 7.279 1.00 0.00 C ATOM 1604 O ASN A 102 18.728 -8.855 7.814 1.00 0.00 O ATOM 1605 CB ASN A 102 21.887 -8.392 7.456 1.00 0.00 C ATOM 1606 CG ASN A 102 21.901 -9.622 8.343 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.786 -9.521 9.565 1.00 0.00 O ATOM 1608 ND2 ASN A 102 22.045 -10.791 7.731 1.00 0.00 N ATOM 0 H ASN A 102 20.875 -6.457 5.674 1.00 0.00 H new ATOM 0 HA ASN A 102 20.547 -9.366 6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.807 -8.358 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.871 -7.498 8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.064 -11.653 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.137 -10.827 6.716 1.00 0.00 H new ATOM 1615 N MET A 103 19.135 -6.696 7.331 1.00 0.00 N ATOM 1616 CA MET A 103 17.956 -6.203 8.034 1.00 0.00 C ATOM 1617 C MET A 103 16.720 -6.280 7.143 1.00 0.00 C ATOM 1618 O MET A 103 16.826 -6.460 5.930 1.00 0.00 O ATOM 1619 CB MET A 103 18.176 -4.762 8.496 1.00 0.00 C ATOM 1620 CG MET A 103 19.104 -4.643 9.695 1.00 0.00 C ATOM 1621 SD MET A 103 18.398 -5.357 11.193 1.00 0.00 S ATOM 1622 CE MET A 103 17.131 -4.150 11.578 1.00 0.00 C ATOM 0 H MET A 103 19.701 -5.968 6.895 1.00 0.00 H new ATOM 0 HA MET A 103 17.794 -6.836 8.907 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.588 -4.183 7.669 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.213 -4.318 8.747 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.048 -5.140 9.470 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.332 -3.592 9.871 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.750 -4.331 12.583 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.556 -3.147 11.526 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.316 -4.237 10.860 1.00 0.00 H new ATOM 1632 N LYS A 104 15.547 -6.144 7.753 1.00 0.00 N ATOM 1633 CA LYS A 104 14.290 -6.197 7.016 1.00 0.00 C ATOM 1634 C LYS A 104 13.166 -5.538 7.809 1.00 0.00 C ATOM 1635 O LYS A 104 13.190 -5.519 9.040 1.00 0.00 O ATOM 1636 CB LYS A 104 13.922 -7.649 6.700 1.00 0.00 C ATOM 1637 CG LYS A 104 12.723 -7.784 5.777 1.00 0.00 C ATOM 1638 CD LYS A 104 11.964 -9.075 6.035 1.00 0.00 C ATOM 1639 CE LYS A 104 11.085 -8.967 7.272 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.658 -10.304 7.768 1.00 0.00 N ATOM 0 H LYS A 104 15.441 -5.996 8.757 1.00 0.00 H new ATOM 0 HA LYS A 104 14.421 -5.650 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.780 -8.141 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.713 -8.174 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.056 -6.934 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.056 -7.758 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.347 -9.315 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.671 -9.895 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.629 -8.444 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.205 -8.367 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.061 -10.187 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.117 -10.793 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.497 -10.867 8.013 1.00 0.00 H new ATOM 1654 N ASP A 105 12.183 -5.000 7.096 1.00 0.00 N ATOM 1655 CA ASP A 105 11.048 -4.341 7.734 1.00 0.00 C ATOM 1656 C ASP A 105 9.758 -4.621 6.969 1.00 0.00 C ATOM 1657 O ASP A 105 9.787 -4.992 5.795 1.00 0.00 O ATOM 1658 CB ASP A 105 11.288 -2.833 7.819 1.00 0.00 C ATOM 1659 CG ASP A 105 12.031 -2.436 9.080 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.971 -3.161 9.469 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.673 -1.399 9.677 1.00 0.00 O ATOM 0 H ASP A 105 12.148 -5.007 6.077 1.00 0.00 H new ATOM 0 HA ASP A 105 10.946 -4.742 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.857 -2.509 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.331 -2.313 7.786 1.00 0.00 H new ATOM 1666 N THR A 106 8.626 -4.442 7.643 1.00 0.00 N ATOM 1667 CA THR A 106 7.326 -4.677 7.029 1.00 0.00 C ATOM 1668 C THR A 106 6.313 -3.624 7.466 1.00 0.00 C ATOM 1669 O THR A 106 6.526 -2.915 8.449 1.00 0.00 O ATOM 1670 CB THR A 106 6.782 -6.074 7.383 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.095 -6.392 8.743 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.369 -7.133 6.461 1.00 0.00 C ATOM 0 H THR A 106 8.584 -4.135 8.615 1.00 0.00 H new ATOM 0 HA THR A 106 7.470 -4.614 5.950 1.00 0.00 H new ATOM 0 HB THR A 106 5.700 -6.061 7.254 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.744 -7.281 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.970 -8.111 6.730 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.104 -6.904 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.454 -7.143 6.563 1.00 0.00 H new ATOM 1680 N ALA A 107 5.211 -3.529 6.729 1.00 0.00 N ATOM 1681 CA ALA A 107 4.164 -2.564 7.042 1.00 0.00 C ATOM 1682 C ALA A 107 2.854 -2.933 6.355 1.00 0.00 C ATOM 1683 O ALA A 107 2.840 -3.705 5.395 1.00 0.00 O ATOM 1684 CB ALA A 107 4.599 -1.163 6.637 1.00 0.00 C ATOM 0 H ALA A 107 5.020 -4.108 5.911 1.00 0.00 H new ATOM 0 HA ALA A 107 3.997 -2.583 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.808 -0.453 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.505 -0.893 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.796 -1.139 5.565 1.00 0.00 H new ATOM 1690 N THR A 108 1.753 -2.377 6.851 1.00 0.00 N ATOM 1691 CA THR A 108 0.438 -2.649 6.286 1.00 0.00 C ATOM 1692 C THR A 108 -0.304 -1.355 5.971 1.00 0.00 C ATOM 1693 O THR A 108 -0.277 -0.407 6.756 1.00 0.00 O ATOM 1694 CB THR A 108 -0.420 -3.499 7.243 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.245 -4.734 7.531 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.787 -3.782 6.638 1.00 0.00 C ATOM 0 H THR A 108 1.747 -1.735 7.644 1.00 0.00 H new ATOM 0 HA THR A 108 0.600 -3.206 5.363 1.00 0.00 H new ATOM 0 HB THR A 108 -0.559 -2.938 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.306 -5.268 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.374 -4.383 7.332 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.302 -2.841 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.665 -4.325 5.701 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.964 -1.323 4.818 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.715 -0.145 4.401 1.00 0.00 C ATOM 1706 C ILE A 109 -3.100 -0.528 3.891 1.00 0.00 C ATOM 1707 O ILE A 109 -3.231 -1.233 2.891 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.972 0.634 3.300 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.431 1.019 3.775 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.761 1.873 2.904 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.375 1.373 2.647 1.00 0.00 C ATOM 0 H ILE A 109 -0.994 -2.099 4.156 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.818 0.492 5.280 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.875 -0.007 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.355 1.868 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.853 0.191 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.223 2.413 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.741 1.576 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.885 2.519 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.350 1.635 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.480 0.518 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.975 2.221 2.091 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.131 -0.057 4.585 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.507 -0.349 4.202 1.00 0.00 C ATOM 1725 C ARG A 110 -6.064 0.747 3.298 1.00 0.00 C ATOM 1726 O ARG A 110 -6.084 1.921 3.670 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.385 -0.494 5.446 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.249 -1.843 6.133 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.105 -1.918 7.388 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.404 -1.399 8.560 1.00 0.00 N ATOM 1731 CZ ARG A 110 -6.404 -0.117 8.909 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -7.065 0.771 8.180 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -5.742 0.277 9.989 1.00 0.00 N ATOM 0 H ARG A 110 -4.039 0.528 5.415 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.512 -1.289 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.129 0.293 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.427 -0.342 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.542 -2.635 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.205 -2.017 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.024 -1.352 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.395 -2.953 7.568 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.886 -2.057 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.575 0.471 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.064 1.755 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.233 -0.404 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.742 1.261 10.257 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.515 0.355 2.111 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.073 1.304 1.155 1.00 0.00 C ATOM 1749 C ILE A 111 -8.534 0.988 0.856 1.00 0.00 C ATOM 1750 O ILE A 111 -8.880 -0.148 0.532 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.279 1.306 -0.164 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.848 1.793 0.077 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.973 2.179 -1.199 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.000 1.819 -1.175 1.00 0.00 C ATOM 0 H ILE A 111 -6.505 -0.613 1.788 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.004 2.291 1.613 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.237 0.286 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.881 2.795 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.372 1.147 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.399 2.170 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.974 1.793 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.043 3.201 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.999 2.174 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.936 0.814 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.453 2.488 -1.907 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.387 2.001 0.965 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.812 1.831 0.705 1.00 0.00 C ATOM 1768 C ARG A 112 -11.304 2.853 -0.316 1.00 0.00 C ATOM 1769 O ARG A 112 -11.043 4.049 -0.188 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.609 1.968 2.003 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.111 2.061 1.789 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.875 1.778 3.073 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.307 1.621 2.834 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.863 0.487 2.424 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.112 -0.584 2.209 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.174 0.422 2.229 1.00 0.00 N ATOM 0 H ARG A 112 -9.117 2.948 1.231 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.964 0.832 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.394 1.112 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.271 2.857 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.367 3.056 1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.415 1.351 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.483 0.872 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.712 2.593 3.779 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.913 2.426 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.104 -0.538 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.542 -1.454 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.756 1.244 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.600 -0.450 1.914 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.017 2.373 -1.330 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.546 3.244 -2.373 1.00 0.00 C ATOM 1792 C VAL A 113 -14.062 3.364 -2.272 1.00 0.00 C ATOM 1793 O VAL A 113 -14.777 2.362 -2.278 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.175 2.729 -3.776 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.972 3.464 -4.843 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.680 2.876 -4.020 1.00 0.00 C ATOM 0 H VAL A 113 -12.242 1.385 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.096 4.226 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.427 1.670 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.696 3.087 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.037 3.302 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.754 4.531 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.436 2.507 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.400 3.927 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.131 2.300 -3.275 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.547 4.598 -2.178 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.980 4.851 -2.077 1.00 0.00 C ATOM 1808 C VAL A 114 -16.512 5.510 -3.344 1.00 0.00 C ATOM 1809 O VAL A 114 -15.857 6.371 -3.930 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.308 5.747 -0.868 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.924 5.054 0.430 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.604 7.090 -0.995 1.00 0.00 C ATOM 0 H VAL A 114 -13.969 5.438 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.464 3.883 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.383 5.926 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.163 5.702 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.478 4.120 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.855 4.842 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.846 7.711 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.526 6.933 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.934 7.589 -1.906 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.706 5.100 -3.762 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.326 5.651 -4.961 1.00 0.00 C ATOM 1824 C GLU A 115 -18.718 7.111 -4.748 1.00 0.00 C ATOM 1825 O GLU A 115 -19.143 7.500 -3.660 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.560 4.832 -5.347 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.227 3.464 -5.918 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.293 2.953 -6.867 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -20.839 3.767 -7.640 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.581 1.738 -6.837 1.00 0.00 O ATOM 0 H GLU A 115 -18.263 4.389 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.598 5.602 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.192 4.706 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.142 5.391 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.273 3.516 -6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.103 2.754 -5.101 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.571 7.915 -5.796 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.909 9.332 -5.727 1.00 0.00 C ATOM 1839 C LYS A 116 -20.333 9.576 -6.216 1.00 0.00 C ATOM 1840 O LYS A 116 -20.558 10.368 -7.131 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.924 10.154 -6.561 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.068 9.940 -8.058 1.00 0.00 C ATOM 1843 CD LYS A 116 -16.750 10.159 -8.782 1.00 0.00 C ATOM 1844 CE LYS A 116 -16.443 11.640 -8.944 1.00 0.00 C ATOM 1845 NZ LYS A 116 -15.997 12.257 -7.665 1.00 0.00 N ATOM 0 H LYS A 116 -18.220 7.609 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.843 9.645 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.066 11.211 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.907 9.899 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.425 8.928 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.819 10.623 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.944 9.678 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.789 9.685 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -15.668 11.770 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.331 12.157 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.245 12.949 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -16.801 12.736 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.633 11.517 -7.031 1.00 0.00 H new ATOM 1859 N ALA A 117 -21.291 8.891 -5.600 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.693 9.037 -5.971 1.00 0.00 C ATOM 1861 C ALA A 117 -23.595 8.245 -5.031 1.00 0.00 C ATOM 1862 O ALA A 117 -23.160 7.279 -4.405 1.00 0.00 O ATOM 1863 CB ALA A 117 -22.907 8.591 -7.410 1.00 0.00 C ATOM 0 H ALA A 117 -21.122 8.230 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 117 -22.958 10.091 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -23.958 8.705 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -22.297 9.203 -8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -22.619 7.545 -7.513 1.00 0.00 H new ATOM 1869 N GLY A 118 -24.855 8.661 -4.935 1.00 0.00 N ATOM 1870 CA GLY A 118 -25.797 7.980 -4.068 1.00 0.00 C ATOM 1871 C GLY A 118 -27.146 7.770 -4.728 1.00 0.00 C ATOM 1872 O GLY A 118 -27.234 7.648 -5.950 1.00 0.00 O ATOM 0 H GLY A 118 -25.239 9.458 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.385 7.014 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -25.929 8.559 -3.154 1.00 0.00 H new TER 1876 GLY A 118