USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 SER OG : rot -10:sc= 0.86 USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.228 (180deg=-0.916) USER MOD Single : A 16 ASN : amide:sc= 0.0847 X(o=0.085,f=-0.36) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 120:sc= 1.03 USER MOD Single : A 81 ASN : amide:sc= 0.0325 K(o=0.032,f=-11!) USER MOD Single : A 87 SER OG : rot 91:sc= 1.3 USER MOD Single : A 92 GLN : amide:sc= -0.0946 K(o=-0.095,f=-0.98) USER MOD Single : A 100 THR OG1 : rot 112:sc= 1.26 USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= 1.13 (180deg=0.547) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 93:sc= 1.36 USER MOD Single : A 114 SER OG : rot 52:sc= -1.34 USER MOD Single : A 117 THR OG1 : rot 98:sc= 0.258 USER MOD Single : A 121 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.47) USER MOD Single : A 130 LYS NZ :NH3+ -172:sc= 2.4 (180deg=2.19) USER MOD Single : A 132 MET CE :methyl -163:sc= -1.05! (180deg=-2.57!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 135 TYR OH : rot 168:sc= -0.181 USER MOD Single : A 136 LYS NZ :NH3+ -144:sc= 0.348 (180deg=-1.7!) USER MOD Single : A 145 MET CE :methyl -132:sc= -0.572 (180deg=-2.86!) USER MOD Single : A 148 GLN : amide:sc= 0.152 X(o=0.15,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -121.876 61.607 -34.388 1.00 17.93 N ATOM 109 CA SER A 8 -122.442 60.266 -34.382 1.00 18.07 C ATOM 110 C SER A 8 -122.247 59.595 -33.024 1.00 17.91 C ATOM 111 O SER A 8 -121.658 58.521 -32.933 1.00 17.61 O ATOM 112 CB SER A 8 -121.774 59.443 -35.481 1.00 18.00 C ATOM 113 OG SER A 8 -120.735 60.191 -36.097 1.00 17.96 O ATOM 0 HA SER A 8 -123.514 60.330 -34.568 1.00 18.07 H new ATOM 0 HB2 SER A 8 -121.368 58.523 -35.060 1.00 18.00 H new ATOM 0 HB3 SER A 8 -122.514 59.153 -36.227 1.00 18.00 H new ATOM 0 HG SER A 8 -120.777 61.122 -35.792 1.00 17.96 H new ATOM 119 N LEU A 9 -122.760 60.238 -31.978 1.00 18.20 N ATOM 120 CA LEU A 9 -122.578 59.781 -30.603 1.00 18.26 C ATOM 121 C LEU A 9 -122.936 58.306 -30.441 1.00 18.43 C ATOM 122 O LEU A 9 -122.110 57.510 -29.993 1.00 18.25 O ATOM 123 CB LEU A 9 -123.428 60.631 -29.653 1.00 18.77 C ATOM 124 CG LEU A 9 -122.746 61.057 -28.346 1.00 18.82 C ATOM 125 CD1 LEU A 9 -123.138 60.123 -27.211 1.00 19.04 C ATOM 126 CD2 LEU A 9 -121.232 61.097 -28.506 1.00 18.92 C ATOM 0 H LEU A 9 -123.314 61.091 -32.060 1.00 18.20 H new ATOM 0 HA LEU A 9 -121.523 59.895 -30.354 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -123.745 61.528 -30.184 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -124.330 60.072 -29.404 1.00 18.77 H new ATOM 0 HG LEU A 9 -123.086 62.063 -28.101 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -122.645 60.440 -26.292 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -124.219 60.153 -27.072 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -122.831 59.106 -27.455 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -120.775 61.402 -27.565 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -120.869 60.107 -28.782 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -120.967 61.811 -29.286 1.00 18.92 H new ATOM 138 N ASP A 10 -124.153 57.944 -30.827 1.00 18.85 N ATOM 139 CA ASP A 10 -124.635 56.574 -30.656 1.00 19.17 C ATOM 140 C ASP A 10 -123.839 55.594 -31.515 1.00 18.74 C ATOM 141 O ASP A 10 -123.652 54.438 -31.134 1.00 18.78 O ATOM 142 CB ASP A 10 -126.132 56.472 -30.981 1.00 19.78 C ATOM 143 CG ASP A 10 -126.431 56.598 -32.463 1.00 19.90 C ATOM 144 OD1 ASP A 10 -126.091 57.640 -33.061 1.00 19.72 O ATOM 145 OD2 ASP A 10 -126.995 55.649 -33.040 1.00 20.27 O ATOM 0 H ASP A 10 -124.825 58.577 -31.260 1.00 18.85 H new ATOM 0 HA ASP A 10 -124.489 56.306 -29.610 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -126.511 55.516 -30.620 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -126.669 57.252 -30.441 1.00 19.78 H new ATOM 150 N ASP A 11 -123.356 56.057 -32.660 1.00 18.38 N ATOM 151 CA ASP A 11 -122.567 55.210 -33.549 1.00 18.04 C ATOM 152 C ASP A 11 -121.181 54.972 -32.969 1.00 17.56 C ATOM 153 O ASP A 11 -120.675 53.849 -32.995 1.00 17.42 O ATOM 154 CB ASP A 11 -122.453 55.830 -34.942 1.00 17.93 C ATOM 155 CG ASP A 11 -122.087 54.809 -36.002 1.00 17.97 C ATOM 156 OD1 ASP A 11 -122.491 53.633 -35.869 1.00 17.99 O ATOM 157 OD2 ASP A 11 -121.391 55.172 -36.975 1.00 18.05 O ATOM 0 H ASP A 11 -123.495 57.010 -32.996 1.00 18.38 H new ATOM 0 HA ASP A 11 -123.081 54.253 -33.641 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -123.400 56.300 -35.206 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -121.700 56.618 -34.925 1.00 17.93 H new ATOM 162 N ILE A 12 -120.576 56.031 -32.441 1.00 17.40 N ATOM 163 CA ILE A 12 -119.295 55.911 -31.759 1.00 17.12 C ATOM 164 C ILE A 12 -119.426 54.967 -30.588 1.00 17.38 C ATOM 165 O ILE A 12 -118.579 54.105 -30.381 1.00 17.18 O ATOM 166 CB ILE A 12 -118.789 57.250 -31.211 1.00 17.14 C ATOM 167 CG1 ILE A 12 -118.611 58.267 -32.334 1.00 16.99 C ATOM 168 CG2 ILE A 12 -117.479 57.045 -30.457 1.00 17.02 C ATOM 169 CD1 ILE A 12 -118.774 59.694 -31.872 1.00 17.20 C ATOM 0 H ILE A 12 -120.952 56.979 -32.473 1.00 17.40 H new ATOM 0 HA ILE A 12 -118.586 55.542 -32.500 1.00 17.12 H new ATOM 0 HB ILE A 12 -119.534 57.644 -30.519 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -117.621 58.145 -32.773 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -119.337 58.061 -33.121 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -117.127 58.002 -30.071 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -117.641 56.357 -29.627 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -116.731 56.629 -31.133 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -118.636 60.368 -32.717 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -119.773 59.831 -31.459 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -118.031 59.915 -31.106 1.00 17.20 H new ATOM 181 N ILE A 13 -120.491 55.157 -29.823 1.00 17.90 N ATOM 182 CA ILE A 13 -120.797 54.293 -28.693 1.00 18.37 C ATOM 183 C ILE A 13 -120.686 52.826 -29.095 1.00 18.32 C ATOM 184 O ILE A 13 -119.904 52.082 -28.512 1.00 18.33 O ATOM 185 CB ILE A 13 -122.215 54.574 -28.149 1.00 19.08 C ATOM 186 CG1 ILE A 13 -122.223 55.887 -27.365 1.00 19.19 C ATOM 187 CG2 ILE A 13 -122.709 53.425 -27.278 1.00 19.74 C ATOM 188 CD1 ILE A 13 -123.612 56.395 -27.040 1.00 19.76 C ATOM 0 H ILE A 13 -121.164 55.910 -29.967 1.00 17.90 H new ATOM 0 HA ILE A 13 -120.072 54.506 -27.907 1.00 18.37 H new ATOM 0 HB ILE A 13 -122.896 54.663 -28.995 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -121.670 55.748 -26.436 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -121.694 56.646 -27.940 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -123.710 53.652 -26.910 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -122.738 52.508 -27.867 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -122.033 53.292 -26.433 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -123.537 57.329 -26.483 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -124.162 56.567 -27.965 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -124.138 55.655 -26.437 1.00 19.76 H new ATOM 200 N LYS A 14 -121.429 52.436 -30.121 1.00 18.34 N ATOM 201 CA LYS A 14 -121.418 51.056 -30.591 1.00 18.38 C ATOM 202 C LYS A 14 -120.026 50.647 -31.066 1.00 17.73 C ATOM 203 O LYS A 14 -119.473 49.642 -30.610 1.00 17.76 O ATOM 204 CB LYS A 14 -122.421 50.878 -31.729 1.00 18.59 C ATOM 205 CG LYS A 14 -123.825 51.347 -31.387 1.00 19.27 C ATOM 206 CD LYS A 14 -124.437 50.515 -30.274 1.00 19.91 C ATOM 207 CE LYS A 14 -125.924 50.790 -30.125 1.00 20.52 C ATOM 208 NZ LYS A 14 -126.641 50.698 -31.424 1.00 21.03 N ATOM 0 H LYS A 14 -122.048 53.055 -30.645 1.00 18.34 H new ATOM 0 HA LYS A 14 -121.700 50.416 -29.755 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -122.067 51.427 -32.602 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -122.457 49.825 -32.008 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -123.796 52.394 -31.085 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -124.455 51.288 -32.274 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -124.281 49.456 -30.482 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -123.930 50.733 -29.334 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -126.356 50.078 -29.422 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -126.068 51.784 -29.701 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -127.654 50.536 -31.251 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -126.518 51.585 -31.952 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -126.254 49.908 -31.979 1.00 21.03 H new ATOM 222 N LEU A 15 -119.460 51.445 -31.961 1.00 17.23 N ATOM 223 CA LEU A 15 -118.174 51.130 -32.565 1.00 16.69 C ATOM 224 C LEU A 15 -117.072 51.038 -31.517 1.00 16.61 C ATOM 225 O LEU A 15 -116.375 50.032 -31.430 1.00 16.40 O ATOM 226 CB LEU A 15 -117.811 52.181 -33.615 1.00 16.34 C ATOM 227 CG LEU A 15 -116.655 51.800 -34.539 1.00 16.28 C ATOM 228 CD1 LEU A 15 -117.155 51.572 -35.957 1.00 16.26 C ATOM 229 CD2 LEU A 15 -115.581 52.875 -34.516 1.00 16.28 C ATOM 0 H LEU A 15 -119.874 52.319 -32.286 1.00 17.23 H new ATOM 0 HA LEU A 15 -118.263 50.156 -33.046 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -118.692 52.383 -34.224 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -117.557 53.110 -33.104 1.00 16.34 H new ATOM 0 HG LEU A 15 -116.218 50.869 -34.178 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -116.317 51.302 -36.599 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -117.888 50.766 -35.959 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -117.619 52.485 -36.331 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -114.765 52.588 -35.179 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -116.006 53.821 -34.851 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -115.201 52.988 -33.501 1.00 16.28 H new ATOM 241 N ASN A 16 -116.936 52.078 -30.704 1.00 16.87 N ATOM 242 CA ASN A 16 -115.845 52.158 -29.739 1.00 17.01 C ATOM 243 C ASN A 16 -116.003 51.123 -28.625 1.00 17.40 C ATOM 244 O ASN A 16 -115.012 50.581 -28.132 1.00 17.38 O ATOM 245 CB ASN A 16 -115.722 53.583 -29.166 1.00 17.36 C ATOM 246 CG ASN A 16 -116.366 53.765 -27.801 1.00 17.34 C ATOM 247 OD1 ASN A 16 -115.774 53.443 -26.769 1.00 17.60 O ATOM 248 ND2 ASN A 16 -117.583 54.287 -27.793 1.00 17.15 N ATOM 0 H ASN A 16 -117.568 52.879 -30.693 1.00 16.87 H new ATOM 0 HA ASN A 16 -114.919 51.926 -30.266 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -114.666 53.844 -29.094 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -116.177 54.284 -29.866 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -118.068 54.437 -26.908 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -118.036 54.539 -28.672 1.00 17.15 H new ATOM 255 N ARG A 17 -117.243 50.817 -28.248 1.00 17.84 N ATOM 256 CA ARG A 17 -117.482 49.855 -27.175 1.00 18.36 C ATOM 257 C ARG A 17 -117.262 48.427 -27.663 1.00 18.04 C ATOM 258 O ARG A 17 -117.026 47.525 -26.865 1.00 18.25 O ATOM 259 CB ARG A 17 -118.884 50.023 -26.577 1.00 19.06 C ATOM 260 CG ARG A 17 -119.977 49.218 -27.265 1.00 19.37 C ATOM 261 CD ARG A 17 -121.349 49.798 -26.965 1.00 19.91 C ATOM 262 NE ARG A 17 -122.435 49.006 -27.537 1.00 20.74 N ATOM 263 CZ ARG A 17 -123.620 48.841 -26.947 1.00 21.41 C ATOM 264 NH1 ARG A 17 -123.856 49.381 -25.755 1.00 21.38 N ATOM 265 NH2 ARG A 17 -124.576 48.143 -27.545 1.00 22.20 N ATOM 0 H ARG A 17 -118.086 51.214 -28.662 1.00 17.84 H new ATOM 0 HA ARG A 17 -116.760 50.055 -26.384 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -118.851 49.738 -25.525 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -119.154 51.078 -26.613 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -119.807 49.213 -28.342 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -119.935 48.181 -26.931 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -121.483 49.863 -25.885 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -121.402 50.814 -27.355 1.00 19.91 H new ATOM 0 HE ARG A 17 -122.279 48.554 -28.438 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -123.130 49.924 -25.288 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -124.764 49.252 -25.307 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -124.407 47.728 -28.462 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -125.480 48.021 -27.088 1.00 22.20 H new ATOM 279 N ASN A 18 -117.330 48.226 -28.972 1.00 17.62 N ATOM 280 CA ASN A 18 -117.044 46.918 -29.551 1.00 17.37 C ATOM 281 C ASN A 18 -115.616 46.865 -30.092 1.00 16.66 C ATOM 282 O ASN A 18 -115.145 45.819 -30.542 1.00 16.34 O ATOM 283 CB ASN A 18 -118.041 46.594 -30.666 1.00 17.47 C ATOM 284 CG ASN A 18 -118.262 45.102 -30.835 1.00 17.64 C ATOM 285 OD1 ASN A 18 -117.645 44.462 -31.686 1.00 17.99 O ATOM 286 ND2 ASN A 18 -119.146 44.536 -30.029 1.00 17.50 N ATOM 0 H ASN A 18 -117.579 48.946 -29.650 1.00 17.62 H new ATOM 0 HA ASN A 18 -117.144 46.171 -28.763 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -118.994 47.076 -30.448 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -117.679 47.013 -31.605 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -119.335 43.536 -30.101 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -119.638 45.099 -29.336 1.00 17.50 H new ATOM 700 N ALA A 44 -61.480 21.731 -13.100 1.00 11.18 N ATOM 701 CA ALA A 44 -60.618 21.432 -11.971 1.00 10.95 C ATOM 702 C ALA A 44 -61.203 20.284 -11.160 1.00 11.14 C ATOM 703 O ALA A 44 -62.316 20.392 -10.640 1.00 11.37 O ATOM 704 CB ALA A 44 -60.427 22.663 -11.099 1.00 10.91 C ATOM 0 HA ALA A 44 -59.640 21.132 -12.348 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -59.778 22.417 -10.259 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -59.972 23.459 -11.688 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -61.394 22.997 -10.724 1.00 10.91 H new ATOM 710 N PRO A 45 -60.469 19.160 -11.072 1.00 11.20 N ATOM 711 CA PRO A 45 -60.901 17.967 -10.329 1.00 11.61 C ATOM 712 C PRO A 45 -61.315 18.282 -8.895 1.00 11.90 C ATOM 713 O PRO A 45 -62.353 17.818 -8.422 1.00 12.39 O ATOM 714 CB PRO A 45 -59.658 17.079 -10.343 1.00 11.62 C ATOM 715 CG PRO A 45 -58.929 17.479 -11.574 1.00 11.27 C ATOM 716 CD PRO A 45 -59.159 18.956 -11.717 1.00 11.04 C ATOM 0 HA PRO A 45 -61.782 17.507 -10.777 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -59.049 17.235 -9.453 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -59.925 16.022 -10.366 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -57.866 17.254 -11.491 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -59.302 16.938 -12.444 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -58.375 19.534 -11.227 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -59.174 19.261 -12.763 1.00 11.04 H new ATOM 724 N TYR A 46 -60.496 19.059 -8.204 1.00 11.78 N ATOM 725 CA TYR A 46 -60.804 19.478 -6.845 1.00 12.25 C ATOM 726 C TYR A 46 -60.195 20.844 -6.566 1.00 12.17 C ATOM 727 O TYR A 46 -60.887 21.779 -6.161 1.00 12.24 O ATOM 728 CB TYR A 46 -60.278 18.450 -5.841 1.00 12.71 C ATOM 729 CG TYR A 46 -60.738 18.694 -4.421 1.00 13.40 C ATOM 730 CD1 TYR A 46 -62.070 18.964 -4.143 1.00 13.66 C ATOM 731 CD2 TYR A 46 -59.841 18.656 -3.360 1.00 13.96 C ATOM 732 CE1 TYR A 46 -62.498 19.189 -2.851 1.00 14.45 C ATOM 733 CE2 TYR A 46 -60.262 18.877 -2.064 1.00 14.73 C ATOM 734 CZ TYR A 46 -61.572 19.140 -1.809 1.00 14.98 C ATOM 735 OH TYR A 46 -62.016 19.370 -0.524 1.00 15.86 O ATOM 0 H TYR A 46 -59.610 19.414 -8.563 1.00 11.78 H new ATOM 0 HA TYR A 46 -61.886 19.548 -6.738 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -60.599 17.456 -6.151 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -59.188 18.456 -5.866 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -62.784 18.999 -4.952 1.00 13.66 H new ATOM 0 HD2 TYR A 46 -58.798 18.450 -3.552 1.00 13.96 H new ATOM 0 HE1 TYR A 46 -63.538 19.401 -2.649 1.00 14.45 H new ATOM 0 HE2 TYR A 46 -59.551 18.841 -1.252 1.00 14.73 H new ATOM 0 HH TYR A 46 -61.263 19.303 0.099 1.00 15.86 H new ATOM 745 N SER A 47 -58.900 20.954 -6.793 1.00 12.21 N ATOM 746 CA SER A 47 -58.192 22.204 -6.586 1.00 12.38 C ATOM 747 C SER A 47 -57.602 22.698 -7.901 1.00 11.92 C ATOM 748 O SER A 47 -58.069 23.682 -8.470 1.00 11.98 O ATOM 749 CB SER A 47 -57.092 22.015 -5.543 1.00 12.96 C ATOM 750 OG SER A 47 -57.215 20.755 -4.904 1.00 13.21 O ATOM 0 H SER A 47 -58.313 20.188 -7.123 1.00 12.21 H new ATOM 0 HA SER A 47 -58.894 22.953 -6.220 1.00 12.38 H new ATOM 0 HB2 SER A 47 -56.115 22.092 -6.020 1.00 12.96 H new ATOM 0 HB3 SER A 47 -57.148 22.811 -4.801 1.00 12.96 H new ATOM 0 HG SER A 47 -56.500 20.653 -4.241 1.00 13.21 H new ATOM 756 N ARG A 48 -56.588 21.999 -8.387 1.00 11.60 N ATOM 757 CA ARG A 48 -55.948 22.359 -9.642 1.00 11.33 C ATOM 758 C ARG A 48 -56.008 21.193 -10.617 1.00 10.91 C ATOM 759 O ARG A 48 -55.809 20.041 -10.225 1.00 10.95 O ATOM 760 CB ARG A 48 -54.489 22.760 -9.409 1.00 11.76 C ATOM 761 CG ARG A 48 -54.301 23.800 -8.320 1.00 12.38 C ATOM 762 CD ARG A 48 -53.251 23.364 -7.311 1.00 12.85 C ATOM 763 NE ARG A 48 -51.918 23.844 -7.667 1.00 12.95 N ATOM 764 CZ ARG A 48 -51.336 24.911 -7.122 1.00 13.65 C ATOM 765 NH1 ARG A 48 -51.970 25.608 -6.185 1.00 14.27 N ATOM 766 NH2 ARG A 48 -50.121 25.278 -7.514 1.00 13.88 N ATOM 0 H ARG A 48 -56.190 21.178 -7.930 1.00 11.60 H new ATOM 0 HA ARG A 48 -56.483 23.209 -10.065 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -53.915 21.870 -9.150 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -54.076 23.146 -10.341 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -54.005 24.749 -8.768 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -55.249 23.970 -7.810 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -53.520 23.739 -6.323 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -53.239 22.276 -7.247 1.00 12.85 H new ATOM 0 HE ARG A 48 -51.400 23.329 -8.379 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -52.903 25.326 -5.883 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -51.524 26.425 -5.768 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -49.634 24.743 -8.233 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -49.676 26.095 -7.097 1.00 13.88 H new ATOM 780 N PRO A 49 -56.323 21.465 -11.888 1.00 10.69 N ATOM 781 CA PRO A 49 -56.285 20.451 -12.941 1.00 10.51 C ATOM 782 C PRO A 49 -54.866 19.944 -13.166 1.00 10.52 C ATOM 783 O PRO A 49 -53.991 20.692 -13.611 1.00 10.80 O ATOM 784 CB PRO A 49 -56.793 21.193 -14.181 1.00 10.63 C ATOM 785 CG PRO A 49 -56.591 22.639 -13.880 1.00 10.68 C ATOM 786 CD PRO A 49 -56.758 22.774 -12.395 1.00 10.80 C ATOM 0 HA PRO A 49 -56.881 19.573 -12.694 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -56.241 20.895 -15.072 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -57.844 20.973 -14.369 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -55.601 22.969 -14.194 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -57.316 23.254 -14.413 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -56.149 23.584 -11.993 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -57.792 22.988 -12.124 1.00 10.80 H new ATOM 794 N LYS A 50 -54.637 18.681 -12.844 1.00 10.36 N ATOM 795 CA LYS A 50 -53.307 18.099 -12.946 1.00 10.37 C ATOM 796 C LYS A 50 -52.974 17.780 -14.396 1.00 10.32 C ATOM 797 O LYS A 50 -53.635 16.957 -15.028 1.00 10.35 O ATOM 798 CB LYS A 50 -53.197 16.833 -12.089 1.00 10.47 C ATOM 799 CG LYS A 50 -54.526 16.136 -11.835 1.00 10.65 C ATOM 800 CD LYS A 50 -54.332 14.818 -11.104 1.00 10.86 C ATOM 801 CE LYS A 50 -54.377 13.639 -12.061 1.00 11.05 C ATOM 802 NZ LYS A 50 -54.977 12.434 -11.431 1.00 11.40 N ATOM 0 H LYS A 50 -55.355 18.038 -12.510 1.00 10.36 H new ATOM 0 HA LYS A 50 -52.590 18.830 -12.573 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -52.520 16.133 -12.579 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -52.747 17.094 -11.131 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -55.173 16.787 -11.248 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -55.031 15.956 -12.784 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -53.375 14.828 -10.582 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -55.107 14.703 -10.347 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -54.954 13.911 -12.945 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -53.367 13.407 -12.398 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -54.989 11.653 -12.117 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -54.413 12.158 -10.602 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -55.950 12.647 -11.132 1.00 11.40 H new ATOM 816 N PRO A 51 -51.955 18.453 -14.949 1.00 10.48 N ATOM 817 CA PRO A 51 -51.508 18.231 -16.320 1.00 10.66 C ATOM 818 C PRO A 51 -50.687 16.955 -16.446 1.00 10.49 C ATOM 819 O PRO A 51 -50.652 16.337 -17.511 1.00 10.76 O ATOM 820 CB PRO A 51 -50.634 19.458 -16.628 1.00 11.11 C ATOM 821 CG PRO A 51 -50.768 20.365 -15.449 1.00 11.13 C ATOM 822 CD PRO A 51 -51.164 19.496 -14.294 1.00 10.75 C ATOM 0 HA PRO A 51 -52.346 18.114 -17.007 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -49.594 19.168 -16.781 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -50.965 19.953 -17.541 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -49.829 20.879 -15.245 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -51.519 21.134 -15.633 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -50.297 19.085 -13.777 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -51.746 20.044 -13.553 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.263 6.208 -8.239 1.00 10.27 N ATOM 1137 CA GLY A 74 -4.190 7.053 -7.070 1.00 10.44 C ATOM 1138 C GLY A 74 -2.770 7.475 -6.790 1.00 10.53 C ATOM 1139 O GLY A 74 -2.255 8.396 -7.426 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.812 7.936 -7.217 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -4.591 6.520 -6.207 1.00 10.44 H new ATOM 1143 N ALA A 75 -2.131 6.800 -5.849 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.740 7.064 -5.530 1.00 10.45 C ATOM 1145 C ALA A 75 0.073 5.779 -5.564 1.00 10.02 C ATOM 1146 O ALA A 75 -0.200 4.847 -4.803 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.637 7.708 -4.157 1.00 10.74 C ATOM 0 H ALA A 75 -2.558 6.061 -5.290 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.337 7.747 -6.278 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.410 7.903 -3.924 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.191 8.647 -4.153 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.056 7.036 -3.408 1.00 10.74 H new ATOM 1153 N LYS A 76 1.066 5.730 -6.443 1.00 10.22 N ATOM 1154 CA LYS A 76 1.946 4.578 -6.533 1.00 9.99 C ATOM 1155 C LYS A 76 3.270 4.879 -5.855 1.00 10.09 C ATOM 1156 O LYS A 76 4.041 5.737 -6.285 1.00 10.63 O ATOM 1157 CB LYS A 76 2.182 4.173 -7.987 1.00 10.41 C ATOM 1158 CG LYS A 76 3.060 2.941 -8.139 1.00 10.50 C ATOM 1159 CD LYS A 76 3.494 2.734 -9.580 1.00 11.20 C ATOM 1160 CE LYS A 76 3.487 1.261 -9.952 1.00 11.56 C ATOM 1161 NZ LYS A 76 4.647 0.890 -10.804 1.00 11.62 N ATOM 0 H LYS A 76 1.280 6.477 -7.103 1.00 10.22 H new ATOM 0 HA LYS A 76 1.463 3.744 -6.024 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.220 3.985 -8.464 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.643 5.006 -8.517 1.00 10.41 H new ATOM 0 HG2 LYS A 76 3.941 3.041 -7.505 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.516 2.062 -7.793 1.00 10.50 H new ATOM 0 HD2 LYS A 76 2.827 3.283 -10.245 1.00 11.20 H new ATOM 0 HD3 LYS A 76 4.494 3.143 -9.723 1.00 11.20 H new ATOM 0 HE2 LYS A 76 3.499 0.659 -9.044 1.00 11.56 H new ATOM 0 HE3 LYS A 76 2.562 1.026 -10.478 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 4.600 -0.124 -11.032 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 4.623 1.445 -11.683 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 5.531 1.089 -10.293 1.00 11.62 H new ATOM 1175 N LEU A 77 3.503 4.170 -4.784 1.00 9.69 N ATOM 1176 CA LEU A 77 4.677 4.351 -3.969 1.00 9.77 C ATOM 1177 C LEU A 77 5.632 3.183 -4.174 1.00 9.68 C ATOM 1178 O LEU A 77 5.284 2.034 -3.928 1.00 9.42 O ATOM 1179 CB LEU A 77 4.221 4.419 -2.516 1.00 9.58 C ATOM 1180 CG LEU A 77 5.100 5.175 -1.530 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.537 4.708 -1.595 1.00 9.26 C ATOM 1182 CD2 LEU A 77 4.998 6.670 -1.762 1.00 10.17 C ATOM 0 H LEU A 77 2.875 3.440 -4.447 1.00 9.69 H new ATOM 0 HA LEU A 77 5.202 5.266 -4.242 1.00 9.77 H new ATOM 0 HB2 LEU A 77 3.230 4.873 -2.497 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.111 3.398 -2.152 1.00 9.58 H new ATOM 0 HG LEU A 77 4.736 4.960 -0.525 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.135 5.270 -0.877 1.00 9.26 H new ATOM 0 HD12 LEU A 77 6.586 3.646 -1.355 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.928 4.871 -2.599 1.00 9.26 H new ATOM 0 HD21 LEU A 77 5.633 7.193 -1.047 1.00 10.17 H new ATOM 0 HD22 LEU A 77 5.323 6.904 -2.776 1.00 10.17 H new ATOM 0 HD23 LEU A 77 3.964 6.989 -1.630 1.00 10.17 H new ATOM 1194 N LEU A 78 6.832 3.480 -4.623 1.00 10.10 N ATOM 1195 CA LEU A 78 7.846 2.460 -4.800 1.00 10.21 C ATOM 1196 C LEU A 78 8.859 2.580 -3.682 1.00 10.19 C ATOM 1197 O LEU A 78 9.002 3.648 -3.094 1.00 10.62 O ATOM 1198 CB LEU A 78 8.531 2.594 -6.163 1.00 10.97 C ATOM 1199 CG LEU A 78 7.599 2.918 -7.333 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.397 3.125 -8.611 1.00 11.63 C ATOM 1201 CD2 LEU A 78 6.574 1.811 -7.521 1.00 10.95 C ATOM 0 H LEU A 78 7.131 4.422 -4.873 1.00 10.10 H new ATOM 0 HA LEU A 78 7.375 1.477 -4.767 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.288 3.375 -6.096 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.053 1.662 -6.382 1.00 10.97 H new ATOM 0 HG LEU A 78 7.070 3.843 -7.103 1.00 11.03 H new ATOM 0 HD11 LEU A 78 7.717 3.354 -9.431 1.00 11.63 H new ATOM 0 HD12 LEU A 78 9.094 3.952 -8.475 1.00 11.63 H new ATOM 0 HD13 LEU A 78 8.953 2.217 -8.844 1.00 11.63 H new ATOM 0 HD21 LEU A 78 5.920 2.059 -8.357 1.00 10.95 H new ATOM 0 HD22 LEU A 78 7.087 0.872 -7.727 1.00 10.95 H new ATOM 0 HD23 LEU A 78 5.979 1.708 -6.613 1.00 10.95 H new ATOM 1213 N VAL A 79 9.586 1.514 -3.403 1.00 9.81 N ATOM 1214 CA VAL A 79 10.494 1.508 -2.258 1.00 9.81 C ATOM 1215 C VAL A 79 11.715 0.657 -2.568 1.00 10.08 C ATOM 1216 O VAL A 79 11.669 -0.188 -3.463 1.00 10.09 O ATOM 1217 CB VAL A 79 9.837 1.001 -0.941 1.00 9.37 C ATOM 1218 CG1 VAL A 79 8.438 1.565 -0.742 1.00 9.42 C ATOM 1219 CG2 VAL A 79 9.800 -0.508 -0.904 1.00 9.16 C ATOM 0 H VAL A 79 9.571 0.648 -3.942 1.00 9.81 H new ATOM 0 HA VAL A 79 10.777 2.547 -2.091 1.00 9.81 H new ATOM 0 HB VAL A 79 10.457 1.361 -0.120 1.00 9.37 H new ATOM 0 HG11 VAL A 79 8.021 1.183 0.190 1.00 9.42 H new ATOM 0 HG12 VAL A 79 8.487 2.653 -0.698 1.00 9.42 H new ATOM 0 HG13 VAL A 79 7.802 1.264 -1.575 1.00 9.42 H new ATOM 0 HG21 VAL A 79 9.337 -0.838 0.026 1.00 9.16 H new ATOM 0 HG22 VAL A 79 9.221 -0.879 -1.750 1.00 9.16 H new ATOM 0 HG23 VAL A 79 10.816 -0.898 -0.961 1.00 9.16 H new ATOM 1229 N SER A 80 12.788 0.880 -1.817 1.00 10.48 N ATOM 1230 CA SER A 80 14.032 0.145 -1.979 1.00 10.87 C ATOM 1231 C SER A 80 14.804 0.174 -0.665 1.00 10.93 C ATOM 1232 O SER A 80 15.371 1.199 -0.285 1.00 11.28 O ATOM 1233 CB SER A 80 14.890 0.739 -3.106 1.00 11.70 C ATOM 1234 OG SER A 80 14.092 1.273 -4.151 1.00 11.92 O ATOM 0 H SER A 80 12.817 1.580 -1.076 1.00 10.48 H new ATOM 0 HA SER A 80 13.795 -0.884 -2.250 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.530 1.523 -2.701 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.547 -0.033 -3.508 1.00 11.70 H new ATOM 0 HG SER A 80 14.276 2.231 -4.246 1.00 11.92 H new ATOM 1240 N ASN A 81 14.788 -0.941 0.050 1.00 10.71 N ATOM 1241 CA ASN A 81 15.492 -1.034 1.324 1.00 10.82 C ATOM 1242 C ASN A 81 16.929 -1.508 1.105 1.00 11.07 C ATOM 1243 O ASN A 81 17.856 -1.048 1.775 1.00 11.33 O ATOM 1244 CB ASN A 81 14.743 -1.979 2.266 1.00 10.85 C ATOM 1245 CG ASN A 81 15.504 -2.250 3.546 1.00 11.09 C ATOM 1246 OD1 ASN A 81 16.360 -3.124 3.587 1.00 11.13 O ATOM 1247 ND2 ASN A 81 15.194 -1.506 4.598 1.00 11.43 N ATOM 0 H ASN A 81 14.298 -1.792 -0.227 1.00 10.71 H new ATOM 0 HA ASN A 81 15.529 -0.046 1.783 1.00 10.82 H new ATOM 0 HB2 ASN A 81 13.772 -1.548 2.510 1.00 10.85 H new ATOM 0 HB3 ASN A 81 14.554 -2.922 1.753 1.00 10.85 H new ATOM 0 HD21 ASN A 81 15.676 -1.651 5.485 1.00 11.43 H new ATOM 0 HD22 ASN A 81 14.474 -0.788 4.520 1.00 11.43 H new ATOM 1254 N LEU A 82 17.082 -2.447 0.172 1.00 11.17 N ATOM 1255 CA LEU A 82 18.387 -2.906 -0.309 1.00 11.63 C ATOM 1256 C LEU A 82 19.098 -3.824 0.688 1.00 11.86 C ATOM 1257 O LEU A 82 19.086 -5.042 0.529 1.00 12.01 O ATOM 1258 CB LEU A 82 19.289 -1.722 -0.673 1.00 12.01 C ATOM 1259 CG LEU A 82 20.504 -2.077 -1.531 1.00 12.36 C ATOM 1260 CD1 LEU A 82 20.131 -2.092 -3.005 1.00 12.48 C ATOM 1261 CD2 LEU A 82 21.635 -1.094 -1.275 1.00 12.61 C ATOM 0 H LEU A 82 16.295 -2.916 -0.277 1.00 11.17 H new ATOM 0 HA LEU A 82 18.191 -3.494 -1.206 1.00 11.63 H new ATOM 0 HB2 LEU A 82 18.693 -0.980 -1.203 1.00 12.01 H new ATOM 0 HB3 LEU A 82 19.637 -1.253 0.247 1.00 12.01 H new ATOM 0 HG LEU A 82 20.844 -3.075 -1.255 1.00 12.36 H new ATOM 0 HD11 LEU A 82 21.008 -2.347 -3.600 1.00 12.48 H new ATOM 0 HD12 LEU A 82 19.350 -2.833 -3.175 1.00 12.48 H new ATOM 0 HD13 LEU A 82 19.767 -1.107 -3.298 1.00 12.48 H new ATOM 0 HD21 LEU A 82 22.494 -1.358 -1.892 1.00 12.61 H new ATOM 0 HD22 LEU A 82 21.305 -0.086 -1.526 1.00 12.61 H new ATOM 0 HD23 LEU A 82 21.919 -1.132 -0.223 1.00 12.61 H new ATOM 1273 N ASP A 83 19.707 -3.246 1.712 1.00 12.07 N ATOM 1274 CA ASP A 83 20.621 -3.997 2.568 1.00 12.45 C ATOM 1275 C ASP A 83 19.901 -4.987 3.477 1.00 12.57 C ATOM 1276 O ASP A 83 20.301 -6.146 3.575 1.00 13.12 O ATOM 1277 CB ASP A 83 21.474 -3.054 3.418 1.00 12.62 C ATOM 1278 CG ASP A 83 22.692 -3.757 3.983 1.00 13.10 C ATOM 1279 OD1 ASP A 83 23.592 -4.121 3.199 1.00 13.59 O ATOM 1280 OD2 ASP A 83 22.758 -3.938 5.220 1.00 13.12 O ATOM 0 H ASP A 83 19.588 -2.267 1.972 1.00 12.07 H new ATOM 0 HA ASP A 83 21.262 -4.568 1.897 1.00 12.45 H new ATOM 0 HB2 ASP A 83 21.792 -2.205 2.812 1.00 12.62 H new ATOM 0 HB3 ASP A 83 20.872 -2.655 4.235 1.00 12.62 H new ATOM 1285 N PHE A 84 18.846 -4.536 4.135 1.00 12.22 N ATOM 1286 CA PHE A 84 18.158 -5.362 5.123 1.00 12.46 C ATOM 1287 C PHE A 84 17.209 -6.346 4.448 1.00 12.41 C ATOM 1288 O PHE A 84 17.230 -7.543 4.739 1.00 12.73 O ATOM 1289 CB PHE A 84 17.389 -4.485 6.116 1.00 12.51 C ATOM 1290 CG PHE A 84 18.168 -3.299 6.611 1.00 12.50 C ATOM 1291 CD1 PHE A 84 18.192 -2.114 5.889 1.00 12.69 C ATOM 1292 CD2 PHE A 84 18.879 -3.367 7.797 1.00 12.45 C ATOM 1293 CE1 PHE A 84 18.906 -1.026 6.340 1.00 12.83 C ATOM 1294 CE2 PHE A 84 19.596 -2.280 8.253 1.00 12.59 C ATOM 1295 CZ PHE A 84 19.611 -1.108 7.522 1.00 12.79 C ATOM 0 H PHE A 84 18.446 -3.607 4.006 1.00 12.22 H new ATOM 0 HA PHE A 84 18.912 -5.931 5.667 1.00 12.46 H new ATOM 0 HB2 PHE A 84 16.473 -4.133 5.641 1.00 12.51 H new ATOM 0 HB3 PHE A 84 17.092 -5.094 6.970 1.00 12.51 H new ATOM 0 HD1 PHE A 84 17.644 -2.044 4.961 1.00 12.69 H new ATOM 0 HD2 PHE A 84 18.872 -4.281 8.372 1.00 12.45 H new ATOM 0 HE1 PHE A 84 18.914 -0.110 5.768 1.00 12.83 H new ATOM 0 HE2 PHE A 84 20.145 -2.345 9.181 1.00 12.59 H new ATOM 0 HZ PHE A 84 20.174 -0.257 7.876 1.00 12.79 H new ATOM 1305 N GLY A 85 16.379 -5.838 3.551 1.00 12.18 N ATOM 1306 CA GLY A 85 15.422 -6.679 2.860 1.00 12.33 C ATOM 1307 C GLY A 85 14.064 -6.670 3.532 1.00 12.00 C ATOM 1308 O GLY A 85 13.863 -7.326 4.555 1.00 12.39 O ATOM 0 H GLY A 85 16.350 -4.853 3.287 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.318 -6.338 1.830 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.800 -7.701 2.821 1.00 12.33 H new ATOM 1312 N VAL A 86 13.134 -5.918 2.966 1.00 11.43 N ATOM 1313 CA VAL A 86 11.791 -5.824 3.519 1.00 11.18 C ATOM 1314 C VAL A 86 10.851 -6.815 2.839 1.00 11.50 C ATOM 1315 O VAL A 86 10.735 -6.833 1.614 1.00 11.42 O ATOM 1316 CB VAL A 86 11.209 -4.397 3.388 1.00 10.44 C ATOM 1317 CG1 VAL A 86 11.780 -3.489 4.464 1.00 10.36 C ATOM 1318 CG2 VAL A 86 11.476 -3.819 2.005 1.00 10.15 C ATOM 0 H VAL A 86 13.284 -5.363 2.123 1.00 11.43 H new ATOM 0 HA VAL A 86 11.872 -6.067 4.579 1.00 11.18 H new ATOM 0 HB VAL A 86 10.129 -4.461 3.522 1.00 10.44 H new ATOM 0 HG11 VAL A 86 11.360 -2.489 4.357 1.00 10.36 H new ATOM 0 HG12 VAL A 86 11.527 -3.886 5.447 1.00 10.36 H new ATOM 0 HG13 VAL A 86 12.864 -3.440 4.361 1.00 10.36 H new ATOM 0 HG21 VAL A 86 11.055 -2.815 1.943 1.00 10.15 H new ATOM 0 HG22 VAL A 86 12.551 -3.773 1.831 1.00 10.15 H new ATOM 0 HG23 VAL A 86 11.013 -4.454 1.250 1.00 10.15 H new ATOM 1328 N SER A 87 10.208 -7.658 3.636 1.00 12.04 N ATOM 1329 CA SER A 87 9.225 -8.596 3.128 1.00 12.55 C ATOM 1330 C SER A 87 7.941 -7.873 2.721 1.00 12.18 C ATOM 1331 O SER A 87 7.783 -6.678 2.985 1.00 11.57 O ATOM 1332 CB SER A 87 8.931 -9.647 4.201 1.00 13.39 C ATOM 1333 OG SER A 87 9.936 -9.638 5.208 1.00 13.46 O ATOM 0 H SER A 87 10.354 -7.709 4.644 1.00 12.04 H new ATOM 0 HA SER A 87 9.626 -9.085 2.240 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.958 -9.451 4.651 1.00 13.39 H new ATOM 0 HB3 SER A 87 8.878 -10.635 3.743 1.00 13.39 H new ATOM 0 HG SER A 87 9.674 -9.024 5.926 1.00 13.46 H new ATOM 1339 N ASP A 88 7.033 -8.610 2.087 1.00 12.66 N ATOM 1340 CA ASP A 88 5.764 -8.060 1.604 1.00 12.44 C ATOM 1341 C ASP A 88 5.042 -7.269 2.691 1.00 12.35 C ATOM 1342 O ASP A 88 4.558 -6.163 2.454 1.00 11.82 O ATOM 1343 CB ASP A 88 4.863 -9.195 1.112 1.00 13.21 C ATOM 1344 CG ASP A 88 4.053 -8.824 -0.114 1.00 13.68 C ATOM 1345 OD1 ASP A 88 4.633 -8.244 -1.058 1.00 13.63 O ATOM 1346 OD2 ASP A 88 2.833 -9.081 -0.133 1.00 14.23 O ATOM 0 H ASP A 88 7.153 -9.604 1.892 1.00 12.66 H new ATOM 0 HA ASP A 88 5.987 -7.378 0.783 1.00 12.44 H new ATOM 0 HB2 ASP A 88 5.478 -10.066 0.884 1.00 13.21 H new ATOM 0 HB3 ASP A 88 4.184 -9.485 1.914 1.00 13.21 H new ATOM 1351 N ALA A 89 4.992 -7.836 3.887 1.00 13.02 N ATOM 1352 CA ALA A 89 4.295 -7.207 4.999 1.00 13.24 C ATOM 1353 C ALA A 89 5.221 -6.312 5.823 1.00 12.75 C ATOM 1354 O ALA A 89 4.767 -5.639 6.747 1.00 12.82 O ATOM 1355 CB ALA A 89 3.652 -8.262 5.885 1.00 14.29 C ATOM 0 H ALA A 89 5.426 -8.731 4.113 1.00 13.02 H new ATOM 0 HA ALA A 89 3.516 -6.571 4.578 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.135 -7.776 6.712 1.00 14.29 H new ATOM 0 HB2 ALA A 89 2.938 -8.842 5.301 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.422 -8.925 6.278 1.00 14.29 H new ATOM 1361 N ASP A 90 6.511 -6.295 5.491 1.00 12.38 N ATOM 1362 CA ASP A 90 7.474 -5.478 6.230 1.00 12.03 C ATOM 1363 C ASP A 90 7.207 -4.004 5.974 1.00 11.35 C ATOM 1364 O ASP A 90 6.793 -3.269 6.868 1.00 11.52 O ATOM 1365 CB ASP A 90 8.903 -5.805 5.796 1.00 11.82 C ATOM 1366 CG ASP A 90 9.756 -6.365 6.911 1.00 12.43 C ATOM 1367 OD1 ASP A 90 10.127 -5.607 7.828 1.00 12.67 O ATOM 1368 OD2 ASP A 90 10.068 -7.574 6.865 1.00 12.76 O ATOM 0 H ASP A 90 6.912 -6.832 4.722 1.00 12.38 H new ATOM 0 HA ASP A 90 7.362 -5.697 7.292 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.871 -6.524 4.977 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.373 -4.901 5.408 1.00 11.82 H new ATOM 1373 N ILE A 91 7.431 -3.583 4.734 1.00 10.74 N ATOM 1374 CA ILE A 91 7.153 -2.213 4.334 1.00 10.19 C ATOM 1375 C ILE A 91 5.663 -1.903 4.448 1.00 10.43 C ATOM 1376 O ILE A 91 5.275 -0.748 4.616 1.00 10.36 O ATOM 1377 CB ILE A 91 7.652 -1.929 2.895 1.00 9.70 C ATOM 1378 CG1 ILE A 91 7.781 -0.422 2.659 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.732 -2.556 1.855 1.00 9.94 C ATOM 1380 CD1 ILE A 91 9.013 0.188 3.294 1.00 9.17 C ATOM 0 H ILE A 91 7.804 -4.173 3.990 1.00 10.74 H new ATOM 0 HA ILE A 91 7.698 -1.559 5.015 1.00 10.19 H new ATOM 0 HB ILE A 91 8.636 -2.385 2.787 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.803 -0.231 1.586 1.00 9.11 H new ATOM 0 HG13 ILE A 91 6.895 0.076 3.053 1.00 9.11 H new ATOM 0 HG21 ILE A 91 7.110 -2.338 0.856 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.698 -3.635 2.003 1.00 9.94 H new ATOM 0 HG23 ILE A 91 5.729 -2.144 1.961 1.00 9.94 H new ATOM 0 HD11 ILE A 91 9.038 1.258 3.085 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.983 0.029 4.372 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.906 -0.283 2.882 1.00 9.17 H new ATOM 1392 N GLN A 92 4.836 -2.942 4.369 1.00 10.89 N ATOM 1393 CA GLN A 92 3.398 -2.783 4.508 1.00 11.26 C ATOM 1394 C GLN A 92 3.041 -2.273 5.900 1.00 11.84 C ATOM 1395 O GLN A 92 2.387 -1.240 6.041 1.00 11.95 O ATOM 1396 CB GLN A 92 2.680 -4.103 4.233 1.00 11.85 C ATOM 1397 CG GLN A 92 1.180 -3.948 4.060 1.00 12.25 C ATOM 1398 CD GLN A 92 0.412 -5.183 4.482 1.00 13.23 C ATOM 1399 OE1 GLN A 92 0.751 -5.834 5.472 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -0.633 -5.507 3.742 1.00 13.70 N ATOM 0 H GLN A 92 5.141 -3.902 4.209 1.00 10.89 H new ATOM 0 HA GLN A 92 3.069 -2.047 3.774 1.00 11.26 H new ATOM 0 HB2 GLN A 92 3.097 -4.555 3.333 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.874 -4.792 5.055 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.837 -3.095 4.645 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.960 -3.728 3.015 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -0.879 -4.940 2.930 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -1.194 -6.324 3.982 1.00 13.70 H new ATOM 1409 N GLU A 93 3.473 -2.996 6.924 1.00 12.34 N ATOM 1410 CA GLU A 93 3.199 -2.596 8.299 1.00 13.06 C ATOM 1411 C GLU A 93 3.876 -1.263 8.626 1.00 12.81 C ATOM 1412 O GLU A 93 3.377 -0.492 9.451 1.00 13.39 O ATOM 1413 CB GLU A 93 3.630 -3.690 9.281 1.00 13.62 C ATOM 1414 CG GLU A 93 5.120 -3.715 9.586 1.00 14.57 C ATOM 1415 CD GLU A 93 5.427 -4.400 10.898 1.00 15.36 C ATOM 1416 OE1 GLU A 93 5.058 -5.583 11.057 1.00 15.72 O ATOM 1417 OE2 GLU A 93 6.037 -3.761 11.782 1.00 15.75 O ATOM 0 H GLU A 93 4.011 -3.857 6.831 1.00 12.34 H new ATOM 0 HA GLU A 93 2.123 -2.457 8.403 1.00 13.06 H new ATOM 0 HB2 GLU A 93 3.083 -3.558 10.215 1.00 13.62 H new ATOM 0 HB3 GLU A 93 3.339 -4.659 8.876 1.00 13.62 H new ATOM 0 HG2 GLU A 93 5.645 -4.228 8.780 1.00 14.57 H new ATOM 0 HG3 GLU A 93 5.500 -2.694 9.615 1.00 14.57 H new ATOM 1424 N LEU A 94 4.993 -0.989 7.958 1.00 12.08 N ATOM 1425 CA LEU A 94 5.720 0.261 8.154 1.00 11.97 C ATOM 1426 C LEU A 94 4.921 1.442 7.607 1.00 11.94 C ATOM 1427 O LEU A 94 4.530 2.332 8.353 1.00 12.57 O ATOM 1428 CB LEU A 94 7.087 0.191 7.472 1.00 11.31 C ATOM 1429 CG LEU A 94 8.287 0.172 8.420 1.00 11.47 C ATOM 1430 CD1 LEU A 94 8.461 -1.209 9.035 1.00 11.42 C ATOM 1431 CD2 LEU A 94 9.551 0.592 7.685 1.00 11.53 C ATOM 0 H LEU A 94 5.415 -1.618 7.275 1.00 12.08 H new ATOM 0 HA LEU A 94 5.865 0.408 9.224 1.00 11.97 H new ATOM 0 HB2 LEU A 94 7.120 -0.704 6.851 1.00 11.31 H new ATOM 0 HB3 LEU A 94 7.186 1.046 6.803 1.00 11.31 H new ATOM 0 HG LEU A 94 8.102 0.884 9.224 1.00 11.47 H new ATOM 0 HD11 LEU A 94 9.320 -1.203 9.706 1.00 11.42 H new ATOM 0 HD12 LEU A 94 7.564 -1.473 9.595 1.00 11.42 H new ATOM 0 HD13 LEU A 94 8.624 -1.941 8.244 1.00 11.42 H new ATOM 0 HD21 LEU A 94 10.396 0.573 8.374 1.00 11.53 H new ATOM 0 HD22 LEU A 94 9.739 -0.097 6.861 1.00 11.53 H new ATOM 0 HD23 LEU A 94 9.425 1.601 7.292 1.00 11.53 H new ATOM 1443 N PHE A 95 4.711 1.452 6.297 1.00 11.31 N ATOM 1444 CA PHE A 95 3.892 2.474 5.640 1.00 11.29 C ATOM 1445 C PHE A 95 2.486 2.586 6.246 1.00 11.98 C ATOM 1446 O PHE A 95 1.846 3.630 6.140 1.00 12.28 O ATOM 1447 CB PHE A 95 3.793 2.179 4.150 1.00 10.57 C ATOM 1448 CG PHE A 95 4.454 3.205 3.286 1.00 10.24 C ATOM 1449 CD1 PHE A 95 3.817 4.399 2.999 1.00 10.59 C ATOM 1450 CD2 PHE A 95 5.717 2.978 2.765 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.426 5.348 2.207 1.00 10.56 C ATOM 1452 CE2 PHE A 95 6.330 3.923 1.971 1.00 9.76 C ATOM 1453 CZ PHE A 95 5.677 5.104 1.679 1.00 10.20 C ATOM 0 H PHE A 95 5.099 0.758 5.659 1.00 11.31 H new ATOM 0 HA PHE A 95 4.386 3.432 5.799 1.00 11.29 H new ATOM 0 HB2 PHE A 95 4.243 1.206 3.951 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.741 2.107 3.873 1.00 10.57 H new ATOM 0 HD1 PHE A 95 2.832 4.589 3.400 1.00 10.59 H new ATOM 0 HD2 PHE A 95 6.227 2.051 2.983 1.00 9.80 H new ATOM 0 HE1 PHE A 95 3.925 6.282 2.000 1.00 10.56 H new ATOM 0 HE2 PHE A 95 7.319 3.740 1.578 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.145 5.836 1.038 1.00 10.20 H new ATOM 1463 N ALA A 96 1.998 1.517 6.869 1.00 12.37 N ATOM 1464 CA ALA A 96 0.731 1.580 7.593 1.00 13.23 C ATOM 1465 C ALA A 96 0.895 2.427 8.854 1.00 14.04 C ATOM 1466 O ALA A 96 0.063 3.274 9.173 1.00 14.68 O ATOM 1467 CB ALA A 96 0.242 0.181 7.943 1.00 13.64 C ATOM 0 H ALA A 96 2.455 0.605 6.888 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.017 2.047 6.952 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.703 0.250 8.482 1.00 13.64 H new ATOM 0 HB2 ALA A 96 0.097 -0.393 7.028 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.982 -0.317 8.570 1.00 13.64 H new ATOM 1473 N GLU A 97 1.968 2.152 9.581 1.00 14.09 N ATOM 1474 CA GLU A 97 2.390 3.004 10.693 1.00 14.82 C ATOM 1475 C GLU A 97 2.573 4.443 10.193 1.00 14.74 C ATOM 1476 O GLU A 97 2.225 5.409 10.872 1.00 15.58 O ATOM 1477 CB GLU A 97 3.691 2.487 11.307 1.00 14.74 C ATOM 1478 CG GLU A 97 3.570 2.139 12.777 1.00 15.73 C ATOM 1479 CD GLU A 97 4.604 2.845 13.629 1.00 16.14 C ATOM 1480 OE1 GLU A 97 4.754 4.076 13.487 1.00 16.03 O ATOM 1481 OE2 GLU A 97 5.275 2.172 14.444 1.00 16.68 O ATOM 0 H GLU A 97 2.568 1.342 9.423 1.00 14.09 H new ATOM 0 HA GLU A 97 1.621 2.984 11.465 1.00 14.82 H new ATOM 0 HB2 GLU A 97 4.016 1.603 10.758 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.467 3.242 11.183 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.573 2.404 13.128 1.00 15.73 H new ATOM 0 HG3 GLU A 97 3.676 1.061 12.902 1.00 15.73 H new ATOM 1488 N PHE A 98 3.121 4.548 8.990 1.00 13.84 N ATOM 1489 CA PHE A 98 3.295 5.814 8.278 1.00 13.78 C ATOM 1490 C PHE A 98 1.957 6.448 7.846 1.00 14.08 C ATOM 1491 O PHE A 98 1.936 7.522 7.238 1.00 14.23 O ATOM 1492 CB PHE A 98 4.193 5.583 7.064 1.00 12.84 C ATOM 1493 CG PHE A 98 4.773 6.834 6.485 1.00 12.77 C ATOM 1494 CD1 PHE A 98 5.456 7.734 7.283 1.00 12.86 C ATOM 1495 CD2 PHE A 98 4.630 7.106 5.139 1.00 12.76 C ATOM 1496 CE1 PHE A 98 5.989 8.887 6.746 1.00 12.95 C ATOM 1497 CE2 PHE A 98 5.158 8.258 4.593 1.00 12.87 C ATOM 1498 CZ PHE A 98 5.840 9.153 5.397 1.00 12.97 C ATOM 0 H PHE A 98 3.465 3.742 8.469 1.00 13.84 H new ATOM 0 HA PHE A 98 3.760 6.521 8.965 1.00 13.78 H new ATOM 0 HB2 PHE A 98 5.007 4.917 7.349 1.00 12.84 H new ATOM 0 HB3 PHE A 98 3.618 5.071 6.292 1.00 12.84 H new ATOM 0 HD1 PHE A 98 5.573 7.532 8.337 1.00 12.86 H new ATOM 0 HD2 PHE A 98 4.099 6.410 4.507 1.00 12.76 H new ATOM 0 HE1 PHE A 98 6.522 9.582 7.378 1.00 12.95 H new ATOM 0 HE2 PHE A 98 5.039 8.461 3.539 1.00 12.87 H new ATOM 0 HZ PHE A 98 6.254 10.056 4.973 1.00 12.97 H new ATOM 1508 N GLY A 99 0.849 5.791 8.152 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.442 6.333 7.768 1.00 14.54 C ATOM 1510 C GLY A 99 -1.362 5.353 7.067 1.00 14.14 C ATOM 1511 O GLY A 99 -2.027 4.537 7.712 1.00 14.45 O ATOM 0 H GLY A 99 0.817 4.903 8.653 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -0.944 6.705 8.661 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.280 7.189 7.113 1.00 14.54 H new ATOM 1515 N THR A 100 -1.416 5.436 5.745 1.00 13.58 N ATOM 1516 CA THR A 100 -2.426 4.728 4.977 1.00 13.32 C ATOM 1517 C THR A 100 -1.807 3.828 3.917 1.00 12.31 C ATOM 1518 O THR A 100 -1.259 4.312 2.930 1.00 11.75 O ATOM 1519 CB THR A 100 -3.361 5.733 4.279 1.00 13.60 C ATOM 1520 OG1 THR A 100 -3.150 7.047 4.817 1.00 14.03 O ATOM 1521 CG2 THR A 100 -4.816 5.335 4.455 1.00 14.35 C ATOM 0 H THR A 100 -0.769 5.989 5.182 1.00 13.58 H new ATOM 0 HA THR A 100 -2.985 4.108 5.678 1.00 13.32 H new ATOM 0 HB THR A 100 -3.131 5.732 3.214 1.00 13.60 H new ATOM 0 HG1 THR A 100 -2.741 7.618 4.134 1.00 14.03 H new ATOM 0 HG21 THR A 100 -5.455 6.061 3.953 1.00 14.35 H new ATOM 0 HG22 THR A 100 -4.978 4.348 4.022 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.060 5.310 5.517 1.00 14.35 H new ATOM 1529 N LEU A 101 -1.892 2.520 4.116 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.395 1.587 3.122 1.00 11.47 C ATOM 1531 C LEU A 101 -2.499 0.683 2.595 1.00 11.61 C ATOM 1532 O LEU A 101 -2.626 -0.473 3.000 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.248 0.758 3.681 1.00 11.39 C ATOM 1534 CG LEU A 101 1.082 0.957 2.960 1.00 10.65 C ATOM 1535 CD1 LEU A 101 1.908 -0.305 3.029 1.00 10.24 C ATOM 1536 CD2 LEU A 101 0.862 1.365 1.510 1.00 10.45 C ATOM 0 H LEU A 101 -2.296 2.087 4.947 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.022 2.176 2.284 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.117 1.005 4.735 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -0.520 -0.296 3.632 1.00 11.39 H new ATOM 0 HG LEU A 101 1.622 1.761 3.460 1.00 10.65 H new ATOM 0 HD11 LEU A 101 2.854 -0.149 2.511 1.00 10.24 H new ATOM 0 HD12 LEU A 101 2.102 -0.556 4.072 1.00 10.24 H new ATOM 0 HD13 LEU A 101 1.365 -1.122 2.554 1.00 10.24 H new ATOM 0 HD21 LEU A 101 1.826 1.500 1.020 1.00 10.45 H new ATOM 0 HD22 LEU A 101 0.299 0.587 0.995 1.00 10.45 H new ATOM 0 HD23 LEU A 101 0.303 2.300 1.476 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.298 1.249 1.703 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.355 0.512 1.015 1.00 11.26 C ATOM 1550 C LYS A 102 -3.823 -0.802 0.438 1.00 11.16 C ATOM 1551 O LYS A 102 -4.308 -1.879 0.785 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.972 1.367 -0.093 1.00 10.93 C ATOM 1553 CG LYS A 102 -5.862 2.481 0.427 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.207 1.949 0.899 1.00 11.57 C ATOM 1555 CE LYS A 102 -7.527 2.419 2.311 1.00 12.20 C ATOM 1556 NZ LYS A 102 -8.282 3.698 2.314 1.00 12.64 N ATOM 0 H LYS A 102 -3.235 2.231 1.434 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.129 0.275 1.745 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.173 1.801 -0.693 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -5.555 0.726 -0.754 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -5.363 2.992 1.250 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.018 3.220 -0.359 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -7.990 2.281 0.217 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -7.199 0.859 0.870 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -8.109 1.654 2.825 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -6.600 2.544 2.870 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -8.711 3.846 3.250 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -7.635 4.484 2.102 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -9.030 3.661 1.592 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.826 -0.712 -0.437 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.193 -1.903 -0.998 1.00 10.59 C ATOM 1572 C LYS A 103 -0.681 -1.765 -0.950 1.00 10.09 C ATOM 1573 O LYS A 103 -0.160 -0.666 -1.077 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.641 -2.152 -2.445 1.00 10.70 C ATOM 1575 CG LYS A 103 -3.550 -1.076 -3.016 1.00 10.37 C ATOM 1576 CD LYS A 103 -5.016 -1.395 -2.754 1.00 10.76 C ATOM 1577 CE LYS A 103 -5.819 -1.467 -4.042 1.00 11.04 C ATOM 1578 NZ LYS A 103 -5.720 -2.798 -4.693 1.00 12.01 N ATOM 0 H LYS A 103 -2.439 0.170 -0.773 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.503 -2.756 -0.394 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -1.757 -2.236 -3.077 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.159 -3.110 -2.492 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -3.300 -0.112 -2.572 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -3.381 -0.986 -4.089 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -5.092 -2.345 -2.225 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -5.443 -0.633 -2.102 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -6.865 -1.246 -3.829 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -5.466 -0.700 -4.731 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -6.283 -2.800 -5.567 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -4.726 -3.000 -4.922 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -6.082 -3.528 -4.047 1.00 12.01 H new ATOM 1592 N ALA A 104 0.017 -2.869 -0.735 1.00 10.38 N ATOM 1593 CA ALA A 104 1.474 -2.864 -0.775 1.00 10.01 C ATOM 1594 C ALA A 104 2.017 -4.246 -1.096 1.00 10.44 C ATOM 1595 O ALA A 104 1.604 -5.239 -0.497 1.00 10.99 O ATOM 1596 CB ALA A 104 2.046 -2.369 0.544 1.00 9.89 C ATOM 0 H ALA A 104 -0.399 -3.778 -0.532 1.00 10.38 H new ATOM 0 HA ALA A 104 1.782 -2.183 -1.568 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.135 -2.373 0.493 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.696 -1.355 0.735 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.718 -3.024 1.351 1.00 9.89 H new ATOM 1602 N ALA A 105 2.927 -4.308 -2.056 1.00 10.39 N ATOM 1603 CA ALA A 105 3.568 -5.561 -2.431 1.00 10.98 C ATOM 1604 C ALA A 105 5.037 -5.324 -2.743 1.00 10.79 C ATOM 1605 O ALA A 105 5.386 -4.322 -3.369 1.00 10.39 O ATOM 1606 CB ALA A 105 2.862 -6.176 -3.629 1.00 11.52 C ATOM 0 H ALA A 105 3.240 -3.500 -2.593 1.00 10.39 H new ATOM 0 HA ALA A 105 3.498 -6.256 -1.595 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.351 -7.112 -3.899 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.820 -6.371 -3.376 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.908 -5.486 -4.472 1.00 11.52 H new ATOM 1612 N VAL A 106 5.896 -6.243 -2.323 1.00 11.23 N ATOM 1613 CA VAL A 106 7.325 -6.096 -2.560 1.00 11.21 C ATOM 1614 C VAL A 106 7.794 -7.036 -3.657 1.00 11.93 C ATOM 1615 O VAL A 106 7.405 -8.207 -3.718 1.00 12.59 O ATOM 1616 CB VAL A 106 8.187 -6.296 -1.290 1.00 11.39 C ATOM 1617 CG1 VAL A 106 7.590 -5.540 -0.121 1.00 10.93 C ATOM 1618 CG2 VAL A 106 8.369 -7.768 -0.951 1.00 11.99 C ATOM 0 H VAL A 106 5.631 -7.091 -1.821 1.00 11.23 H new ATOM 0 HA VAL A 106 7.466 -5.063 -2.878 1.00 11.21 H new ATOM 0 HB VAL A 106 9.178 -5.892 -1.497 1.00 11.39 H new ATOM 0 HG11 VAL A 106 8.208 -5.691 0.764 1.00 10.93 H new ATOM 0 HG12 VAL A 106 7.549 -4.477 -0.358 1.00 10.93 H new ATOM 0 HG13 VAL A 106 6.582 -5.907 0.073 1.00 10.93 H new ATOM 0 HG21 VAL A 106 8.980 -7.862 -0.053 1.00 11.99 H new ATOM 0 HG22 VAL A 106 7.395 -8.224 -0.776 1.00 11.99 H new ATOM 0 HG23 VAL A 106 8.863 -8.274 -1.780 1.00 11.99 H new ATOM 1628 N ASP A 107 8.584 -6.491 -4.551 1.00 11.95 N ATOM 1629 CA ASP A 107 9.126 -7.239 -5.665 1.00 12.77 C ATOM 1630 C ASP A 107 10.644 -7.095 -5.717 1.00 13.21 C ATOM 1631 O ASP A 107 11.167 -6.049 -6.100 1.00 12.80 O ATOM 1632 CB ASP A 107 8.480 -6.717 -6.950 1.00 12.61 C ATOM 1633 CG ASP A 107 9.250 -7.054 -8.211 1.00 13.52 C ATOM 1634 OD1 ASP A 107 9.320 -8.251 -8.567 1.00 13.74 O ATOM 1635 OD2 ASP A 107 9.836 -6.135 -8.820 1.00 14.12 O ATOM 0 H ASP A 107 8.871 -5.513 -4.528 1.00 11.95 H new ATOM 0 HA ASP A 107 8.905 -8.300 -5.549 1.00 12.77 H new ATOM 0 HB2 ASP A 107 7.474 -7.128 -7.031 1.00 12.61 H new ATOM 0 HB3 ASP A 107 8.377 -5.634 -6.878 1.00 12.61 H new ATOM 1640 N TYR A 108 11.346 -8.141 -5.288 1.00 14.11 N ATOM 1641 CA TYR A 108 12.808 -8.177 -5.342 1.00 14.67 C ATOM 1642 C TYR A 108 13.324 -8.216 -6.776 1.00 15.44 C ATOM 1643 O TYR A 108 12.546 -8.213 -7.728 1.00 15.72 O ATOM 1644 CB TYR A 108 13.333 -9.389 -4.567 1.00 15.38 C ATOM 1645 CG TYR A 108 13.382 -9.176 -3.071 1.00 14.91 C ATOM 1646 CD1 TYR A 108 12.234 -8.859 -2.357 1.00 14.54 C ATOM 1647 CD2 TYR A 108 14.578 -9.292 -2.373 1.00 15.00 C ATOM 1648 CE1 TYR A 108 12.277 -8.666 -0.988 1.00 14.26 C ATOM 1649 CE2 TYR A 108 14.628 -9.102 -1.008 1.00 14.74 C ATOM 1650 CZ TYR A 108 13.469 -8.779 -0.322 1.00 14.37 C ATOM 1651 OH TYR A 108 13.528 -8.606 1.039 1.00 14.27 O ATOM 0 H TYR A 108 10.923 -8.982 -4.896 1.00 14.11 H new ATOM 0 HA TYR A 108 13.176 -7.260 -4.882 1.00 14.67 H new ATOM 0 HB2 TYR A 108 12.700 -10.250 -4.782 1.00 15.38 H new ATOM 0 HB3 TYR A 108 14.334 -9.632 -4.924 1.00 15.38 H new ATOM 0 HD1 TYR A 108 11.293 -8.762 -2.878 1.00 14.54 H new ATOM 0 HD2 TYR A 108 15.484 -9.535 -2.909 1.00 15.00 H new ATOM 0 HE1 TYR A 108 11.374 -8.427 -0.446 1.00 14.26 H new ATOM 0 HE2 TYR A 108 15.564 -9.204 -0.478 1.00 14.74 H new ATOM 0 HH TYR A 108 14.452 -8.723 1.344 1.00 14.27 H new ATOM 1661 N ASP A 109 14.643 -8.248 -6.930 1.00 15.88 N ATOM 1662 CA ASP A 109 15.242 -8.029 -8.232 1.00 16.70 C ATOM 1663 C ASP A 109 15.216 -9.323 -9.030 1.00 17.75 C ATOM 1664 O ASP A 109 15.003 -10.397 -8.468 1.00 17.90 O ATOM 1665 CB ASP A 109 16.679 -7.517 -8.091 1.00 16.70 C ATOM 1666 CG ASP A 109 17.566 -8.470 -7.317 1.00 17.47 C ATOM 1667 OD1 ASP A 109 17.273 -8.728 -6.133 1.00 17.54 O ATOM 1668 OD2 ASP A 109 18.564 -8.963 -7.889 1.00 18.07 O ATOM 0 H ASP A 109 15.308 -8.422 -6.176 1.00 15.88 H new ATOM 0 HA ASP A 109 14.665 -7.270 -8.761 1.00 16.70 H new ATOM 0 HB2 ASP A 109 17.102 -7.357 -9.083 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.668 -6.549 -7.590 1.00 16.70 H new ATOM 1673 N ARG A 110 15.414 -9.213 -10.337 1.00 18.56 N ATOM 1674 CA ARG A 110 15.404 -10.375 -11.224 1.00 19.67 C ATOM 1675 C ARG A 110 16.372 -11.451 -10.738 1.00 20.06 C ATOM 1676 O ARG A 110 16.082 -12.645 -10.820 1.00 20.72 O ATOM 1677 CB ARG A 110 15.771 -9.955 -12.647 1.00 20.52 C ATOM 1678 CG ARG A 110 14.569 -9.583 -13.499 1.00 20.56 C ATOM 1679 CD ARG A 110 14.965 -9.354 -14.948 1.00 20.89 C ATOM 1680 NE ARG A 110 15.232 -10.610 -15.650 1.00 21.05 N ATOM 1681 CZ ARG A 110 14.701 -10.937 -16.826 1.00 21.24 C ATOM 1682 NH1 ARG A 110 13.850 -10.113 -17.426 1.00 21.27 N ATOM 1683 NH2 ARG A 110 15.020 -12.093 -17.395 1.00 21.49 N ATOM 0 H ARG A 110 15.585 -8.326 -10.811 1.00 18.56 H new ATOM 0 HA ARG A 110 14.397 -10.792 -11.217 1.00 19.67 H new ATOM 0 HB2 ARG A 110 16.451 -9.105 -12.602 1.00 20.52 H new ATOM 0 HB3 ARG A 110 16.310 -10.770 -13.130 1.00 20.52 H new ATOM 0 HG2 ARG A 110 13.824 -10.376 -13.445 1.00 20.56 H new ATOM 0 HG3 ARG A 110 14.104 -8.681 -13.101 1.00 20.56 H new ATOM 0 HD2 ARG A 110 14.168 -8.815 -15.460 1.00 20.89 H new ATOM 0 HD3 ARG A 110 15.852 -8.722 -14.985 1.00 20.89 H new ATOM 0 HE ARG A 110 15.865 -11.278 -15.210 1.00 21.05 H new ATOM 0 HH11 ARG A 110 13.602 -9.227 -16.986 1.00 21.27 H new ATOM 0 HH12 ARG A 110 13.445 -10.366 -18.327 1.00 21.27 H new ATOM 0 HH21 ARG A 110 15.670 -12.728 -16.931 1.00 21.49 H new ATOM 0 HH22 ARG A 110 14.615 -12.347 -18.296 1.00 21.49 H new ATOM 1697 N SER A 111 17.510 -11.018 -10.217 1.00 19.71 N ATOM 1698 CA SER A 111 18.541 -11.929 -9.747 1.00 20.09 C ATOM 1699 C SER A 111 18.229 -12.469 -8.349 1.00 19.34 C ATOM 1700 O SER A 111 18.918 -13.370 -7.865 1.00 19.58 O ATOM 1701 CB SER A 111 19.889 -11.210 -9.738 1.00 20.36 C ATOM 1702 OG SER A 111 19.723 -9.823 -9.997 1.00 20.33 O ATOM 0 H SER A 111 17.744 -10.031 -10.109 1.00 19.71 H new ATOM 0 HA SER A 111 18.576 -12.780 -10.428 1.00 20.09 H new ATOM 0 HB2 SER A 111 20.374 -11.349 -8.772 1.00 20.36 H new ATOM 0 HB3 SER A 111 20.545 -11.649 -10.490 1.00 20.36 H new ATOM 0 HG SER A 111 19.648 -9.338 -9.148 1.00 20.33 H new ATOM 1708 N GLY A 112 17.175 -11.938 -7.725 1.00 18.52 N ATOM 1709 CA GLY A 112 16.856 -12.293 -6.349 1.00 17.87 C ATOM 1710 C GLY A 112 18.061 -12.146 -5.447 1.00 17.53 C ATOM 1711 O GLY A 112 18.497 -13.105 -4.809 1.00 17.59 O ATOM 0 H GLY A 112 16.535 -11.267 -8.150 1.00 18.52 H new ATOM 0 HA2 GLY A 112 16.048 -11.658 -5.986 1.00 17.87 H new ATOM 0 HA3 GLY A 112 16.495 -13.321 -6.311 1.00 17.87 H new ATOM 1715 N ARG A 113 18.597 -10.939 -5.395 1.00 17.30 N ATOM 1716 CA ARG A 113 19.898 -10.709 -4.779 1.00 17.14 C ATOM 1717 C ARG A 113 19.768 -10.371 -3.299 1.00 16.20 C ATOM 1718 O ARG A 113 20.068 -11.194 -2.432 1.00 16.37 O ATOM 1719 CB ARG A 113 20.622 -9.582 -5.520 1.00 17.48 C ATOM 1720 CG ARG A 113 21.993 -9.243 -4.961 1.00 18.02 C ATOM 1721 CD ARG A 113 22.464 -7.881 -5.450 1.00 18.53 C ATOM 1722 NE ARG A 113 23.758 -7.953 -6.130 1.00 18.76 N ATOM 1723 CZ ARG A 113 23.950 -8.502 -7.331 1.00 19.39 C ATOM 1724 NH1 ARG A 113 22.930 -9.021 -8.008 1.00 19.85 N ATOM 1725 NH2 ARG A 113 25.166 -8.511 -7.859 1.00 19.68 N ATOM 0 H ARG A 113 18.154 -10.101 -5.771 1.00 17.30 H new ATOM 0 HA ARG A 113 20.478 -11.629 -4.853 1.00 17.14 H new ATOM 0 HB2 ARG A 113 20.730 -9.863 -6.568 1.00 17.48 H new ATOM 0 HB3 ARG A 113 20.000 -8.687 -5.492 1.00 17.48 H new ATOM 0 HG2 ARG A 113 21.956 -9.249 -3.872 1.00 18.02 H new ATOM 0 HG3 ARG A 113 22.710 -10.008 -5.260 1.00 18.02 H new ATOM 0 HD2 ARG A 113 21.721 -7.465 -6.130 1.00 18.53 H new ATOM 0 HD3 ARG A 113 22.538 -7.199 -4.603 1.00 18.53 H new ATOM 0 HE ARG A 113 24.568 -7.557 -5.654 1.00 18.76 H new ATOM 0 HH11 ARG A 113 21.991 -9.002 -7.610 1.00 19.85 H new ATOM 0 HH12 ARG A 113 23.086 -9.439 -8.925 1.00 19.85 H new ATOM 0 HH21 ARG A 113 25.947 -8.100 -7.348 1.00 19.68 H new ATOM 0 HH22 ARG A 113 25.320 -8.929 -8.777 1.00 19.68 H new ATOM 1739 N SER A 114 19.298 -9.165 -3.035 1.00 15.31 N ATOM 1740 CA SER A 114 19.233 -8.607 -1.690 1.00 14.46 C ATOM 1741 C SER A 114 18.771 -7.172 -1.817 1.00 13.60 C ATOM 1742 O SER A 114 19.577 -6.256 -1.983 1.00 13.37 O ATOM 1743 CB SER A 114 20.596 -8.664 -0.988 1.00 14.66 C ATOM 1744 OG SER A 114 21.657 -8.401 -1.894 1.00 15.43 O ATOM 0 H SER A 114 18.945 -8.535 -3.756 1.00 15.31 H new ATOM 0 HA SER A 114 18.540 -9.191 -1.084 1.00 14.46 H new ATOM 0 HB2 SER A 114 20.620 -7.937 -0.177 1.00 14.66 H new ATOM 0 HB3 SER A 114 20.735 -9.647 -0.539 1.00 14.66 H new ATOM 0 HG SER A 114 21.475 -7.569 -2.378 1.00 15.43 H new ATOM 1750 N LEU A 115 17.471 -6.981 -1.784 1.00 13.29 N ATOM 1751 CA LEU A 115 16.900 -5.705 -2.150 1.00 12.67 C ATOM 1752 C LEU A 115 15.703 -5.363 -1.280 1.00 11.82 C ATOM 1753 O LEU A 115 15.841 -4.876 -0.161 1.00 11.50 O ATOM 1754 CB LEU A 115 16.477 -5.755 -3.619 1.00 13.13 C ATOM 1755 CG LEU A 115 17.065 -4.671 -4.516 1.00 13.71 C ATOM 1756 CD1 LEU A 115 18.390 -5.126 -5.107 1.00 13.79 C ATOM 1757 CD2 LEU A 115 16.077 -4.330 -5.615 1.00 14.34 C ATOM 0 H LEU A 115 16.792 -7.690 -1.509 1.00 13.29 H new ATOM 0 HA LEU A 115 17.651 -4.930 -1.999 1.00 12.67 H new ATOM 0 HB2 LEU A 115 16.756 -6.727 -4.025 1.00 13.13 H new ATOM 0 HB3 LEU A 115 15.390 -5.690 -3.667 1.00 13.13 H new ATOM 0 HG LEU A 115 17.253 -3.779 -3.919 1.00 13.71 H new ATOM 0 HD11 LEU A 115 18.794 -4.339 -5.744 1.00 13.79 H new ATOM 0 HD12 LEU A 115 19.094 -5.338 -4.302 1.00 13.79 H new ATOM 0 HD13 LEU A 115 18.234 -6.028 -5.699 1.00 13.79 H new ATOM 0 HD21 LEU A 115 16.498 -3.555 -6.255 1.00 14.34 H new ATOM 0 HD22 LEU A 115 15.872 -5.220 -6.209 1.00 14.34 H new ATOM 0 HD23 LEU A 115 15.149 -3.969 -5.171 1.00 14.34 H new ATOM 1769 N GLY A 116 14.527 -5.627 -1.806 1.00 11.63 N ATOM 1770 CA GLY A 116 13.322 -5.241 -1.127 1.00 10.96 C ATOM 1771 C GLY A 116 12.715 -4.023 -1.772 1.00 10.62 C ATOM 1772 O GLY A 116 12.410 -3.037 -1.103 1.00 10.23 O ATOM 0 H GLY A 116 14.385 -6.104 -2.696 1.00 11.63 H new ATOM 0 HA2 GLY A 116 12.607 -6.064 -1.148 1.00 10.96 H new ATOM 0 HA3 GLY A 116 13.539 -5.034 -0.079 1.00 10.96 H new ATOM 1776 N THR A 117 12.591 -4.081 -3.088 1.00 10.92 N ATOM 1777 CA THR A 117 11.896 -3.058 -3.834 1.00 10.75 C ATOM 1778 C THR A 117 10.415 -3.355 -3.754 1.00 10.46 C ATOM 1779 O THR A 117 10.035 -4.506 -3.563 1.00 10.80 O ATOM 1780 CB THR A 117 12.342 -3.051 -5.304 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.009 -4.284 -5.605 1.00 12.11 O ATOM 1782 CG2 THR A 117 13.274 -1.883 -5.594 1.00 11.71 C ATOM 0 H THR A 117 12.968 -4.835 -3.661 1.00 10.92 H new ATOM 0 HA THR A 117 12.122 -2.079 -3.412 1.00 10.75 H new ATOM 0 HB THR A 117 11.456 -2.942 -5.930 1.00 11.45 H new ATOM 0 HG1 THR A 117 12.381 -4.899 -6.038 1.00 12.11 H new ATOM 0 HG21 THR A 117 13.571 -1.907 -6.642 1.00 11.71 H new ATOM 0 HG22 THR A 117 12.759 -0.946 -5.384 1.00 11.71 H new ATOM 0 HG23 THR A 117 14.160 -1.959 -4.964 1.00 11.71 H new ATOM 1790 N ALA A 118 9.570 -2.356 -3.883 1.00 9.99 N ATOM 1791 CA ALA A 118 8.144 -2.599 -3.757 1.00 9.78 C ATOM 1792 C ALA A 118 7.319 -1.563 -4.485 1.00 9.60 C ATOM 1793 O ALA A 118 7.829 -0.514 -4.894 1.00 9.55 O ATOM 1794 CB ALA A 118 7.737 -2.648 -2.291 1.00 9.47 C ATOM 0 H ALA A 118 9.833 -1.389 -4.071 1.00 9.99 H new ATOM 0 HA ALA A 118 7.945 -3.565 -4.221 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.665 -2.831 -2.217 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.278 -3.451 -1.790 1.00 9.47 H new ATOM 0 HB3 ALA A 118 7.977 -1.697 -1.815 1.00 9.47 H new ATOM 1800 N ASP A 119 6.050 -1.901 -4.646 1.00 9.67 N ATOM 1801 CA ASP A 119 5.049 -1.022 -5.221 1.00 9.53 C ATOM 1802 C ASP A 119 3.818 -1.045 -4.316 1.00 9.23 C ATOM 1803 O ASP A 119 3.152 -2.072 -4.175 1.00 9.46 O ATOM 1804 CB ASP A 119 4.710 -1.471 -6.655 1.00 10.06 C ATOM 1805 CG ASP A 119 3.230 -1.392 -6.996 1.00 10.01 C ATOM 1806 OD1 ASP A 119 2.753 -0.287 -7.336 1.00 10.21 O ATOM 1807 OD2 ASP A 119 2.533 -2.419 -6.897 1.00 9.84 O ATOM 0 H ASP A 119 5.681 -2.813 -4.375 1.00 9.67 H new ATOM 0 HA ASP A 119 5.425 -0.001 -5.286 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.268 -0.854 -7.359 1.00 10.06 H new ATOM 0 HB3 ASP A 119 5.050 -2.498 -6.793 1.00 10.06 H new ATOM 1812 N VAL A 120 3.576 0.060 -3.635 1.00 8.97 N ATOM 1813 CA VAL A 120 2.465 0.165 -2.711 1.00 8.93 C ATOM 1814 C VAL A 120 1.523 1.288 -3.162 1.00 8.97 C ATOM 1815 O VAL A 120 1.960 2.257 -3.779 1.00 9.03 O ATOM 1816 CB VAL A 120 2.984 0.395 -1.265 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.195 -0.488 -0.987 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.358 1.838 -1.028 1.00 9.06 C ATOM 0 H VAL A 120 4.142 0.906 -3.707 1.00 8.97 H new ATOM 0 HA VAL A 120 1.903 -0.769 -2.710 1.00 8.93 H new ATOM 0 HB VAL A 120 2.172 0.133 -0.587 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.546 -0.314 0.030 1.00 9.07 H new ATOM 0 HG12 VAL A 120 3.915 -1.535 -1.101 1.00 9.07 H new ATOM 0 HG13 VAL A 120 4.991 -0.246 -1.692 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.716 1.958 -0.006 1.00 9.06 H new ATOM 0 HG22 VAL A 120 4.144 2.129 -1.724 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.484 2.471 -1.183 1.00 9.06 H new ATOM 1828 N HIS A 121 0.232 1.146 -2.897 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.752 2.076 -3.424 1.00 9.24 C ATOM 1830 C HIS A 121 -1.663 2.621 -2.338 1.00 9.55 C ATOM 1831 O HIS A 121 -2.206 1.858 -1.537 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.610 1.370 -4.468 1.00 9.38 C ATOM 1833 CG HIS A 121 -1.110 1.527 -5.869 1.00 9.45 C ATOM 1834 ND1 HIS A 121 -0.342 0.578 -6.499 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.282 2.525 -6.764 1.00 9.62 C ATOM 1836 CE1 HIS A 121 -0.062 0.982 -7.720 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.622 2.162 -7.913 1.00 9.93 N ATOM 0 H HIS A 121 -0.156 0.398 -2.322 1.00 9.13 H new ATOM 0 HA HIS A 121 -0.208 2.911 -3.865 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.658 0.308 -4.227 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.627 1.757 -4.410 1.00 9.38 H new ATOM 0 HD2 HIS A 121 -1.836 3.439 -6.605 1.00 9.62 H new ATOM 0 HE1 HIS A 121 0.528 0.439 -8.444 1.00 9.94 H new ATOM 0 HE2 HIS A 121 -0.573 2.712 -8.771 1.00 9.93 H new ATOM 1846 N PHE A 122 -1.816 3.939 -2.296 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.868 4.550 -1.500 1.00 10.32 C ATOM 1848 C PHE A 122 -3.718 5.440 -2.398 1.00 10.49 C ATOM 1849 O PHE A 122 -3.257 5.882 -3.449 1.00 10.27 O ATOM 1850 CB PHE A 122 -2.306 5.356 -0.321 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.821 5.593 -0.359 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.056 4.622 0.092 1.00 10.52 C ATOM 1853 CD2 PHE A 122 -0.302 6.776 -0.860 1.00 10.41 C ATOM 1854 CE1 PHE A 122 1.418 4.825 0.044 1.00 10.36 C ATOM 1855 CE2 PHE A 122 1.060 6.985 -0.909 1.00 10.34 C ATOM 1856 CZ PHE A 122 1.915 6.051 -0.400 1.00 10.28 C ATOM 0 H PHE A 122 -1.227 4.601 -2.802 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.481 3.755 -1.075 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.811 6.321 -0.287 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.551 4.835 0.605 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.332 3.694 0.486 1.00 10.52 H new ATOM 0 HD2 PHE A 122 -0.973 7.544 -1.217 1.00 10.41 H new ATOM 0 HE1 PHE A 122 2.096 4.041 0.348 1.00 10.36 H new ATOM 0 HE2 PHE A 122 1.451 7.890 -1.351 1.00 10.34 H new ATOM 0 HZ PHE A 122 2.973 6.260 -0.341 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.961 5.685 -2.001 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.887 6.445 -2.836 1.00 11.27 C ATOM 1868 C GLU A 123 -5.639 7.945 -2.741 1.00 11.67 C ATOM 1869 O GLU A 123 -6.137 8.713 -3.562 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.341 6.152 -2.465 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.507 5.130 -1.357 1.00 11.97 C ATOM 1872 CD GLU A 123 -7.790 5.772 -0.021 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -8.809 6.484 0.096 1.00 12.67 O ATOM 1874 OE2 GLU A 123 -7.003 5.553 0.921 1.00 12.45 O ATOM 0 H GLU A 123 -5.351 5.371 -1.112 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.707 6.126 -3.863 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.821 7.082 -2.161 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.866 5.798 -3.352 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -8.321 4.452 -1.611 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.602 4.528 -1.283 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.882 8.371 -1.742 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.627 9.787 -1.543 1.00 12.58 C ATOM 1883 C ARG A 124 -3.298 10.167 -2.173 1.00 12.40 C ATOM 1884 O ARG A 124 -2.262 9.599 -1.833 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.600 10.119 -0.048 1.00 13.34 C ATOM 1886 CG ARG A 124 -5.666 9.397 0.761 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.702 10.366 1.304 1.00 14.19 C ATOM 1888 NE ARG A 124 -7.816 9.673 1.951 1.00 14.36 N ATOM 1889 CZ ARG A 124 -9.086 9.781 1.568 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -9.411 10.564 0.542 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -10.033 9.106 2.209 1.00 15.04 N ATOM 0 H ARG A 124 -4.436 7.758 -1.059 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.428 10.354 -2.017 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -3.619 9.865 0.353 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.728 11.194 0.078 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -6.156 8.651 0.136 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -5.198 8.862 1.587 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -6.229 11.039 2.020 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -7.083 10.983 0.490 1.00 14.19 H new ATOM 0 HE ARG A 124 -7.606 9.069 2.746 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -8.686 11.083 0.047 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -10.385 10.645 0.251 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -9.787 8.504 2.995 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -11.006 9.189 1.915 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.318 11.125 -3.091 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.095 11.559 -3.749 1.00 12.90 C ATOM 1907 C ARG A 125 -1.251 12.401 -2.800 1.00 13.56 C ATOM 1908 O ARG A 125 -0.023 12.370 -2.852 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.428 12.352 -5.014 1.00 13.36 C ATOM 1910 CG ARG A 125 -2.961 11.490 -6.146 1.00 13.29 C ATOM 1911 CD ARG A 125 -4.381 11.876 -6.521 1.00 13.69 C ATOM 1912 NE ARG A 125 -5.109 10.769 -7.139 1.00 14.28 N ATOM 1913 CZ ARG A 125 -6.294 10.329 -6.712 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -6.851 10.853 -5.627 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -6.913 9.351 -7.364 1.00 15.26 N ATOM 0 H ARG A 125 -4.161 11.612 -3.394 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.520 10.678 -4.032 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -3.167 13.116 -4.771 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -1.532 12.872 -5.354 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -2.314 11.591 -7.017 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -2.935 10.441 -5.849 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -4.914 12.206 -5.629 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -4.356 12.721 -7.209 1.00 13.69 H new ATOM 0 HE ARG A 125 -4.686 10.306 -7.944 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -6.373 11.595 -5.116 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -7.757 10.514 -5.304 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -6.482 8.937 -8.191 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -7.819 9.014 -7.038 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.920 13.147 -1.927 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.237 13.946 -0.914 1.00 15.01 C ATOM 1931 C ALA A 126 -0.466 13.054 0.056 1.00 14.54 C ATOM 1932 O ALA A 126 0.565 13.449 0.594 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.236 14.804 -0.160 1.00 15.90 C ATOM 0 H ALA A 126 -2.937 13.215 -1.900 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.523 14.597 -1.418 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.713 15.395 0.592 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.742 15.471 -0.858 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -2.971 14.163 0.328 1.00 15.90 H new ATOM 1939 N ASP A 127 -0.995 11.858 0.288 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.302 10.855 1.098 1.00 13.28 C ATOM 1941 C ASP A 127 1.068 10.539 0.503 1.00 12.77 C ATOM 1942 O ASP A 127 2.038 10.317 1.227 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.130 9.575 1.221 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.039 8.962 2.605 1.00 13.12 C ATOM 1945 OD1 ASP A 127 0.073 8.559 3.007 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.077 8.858 3.287 1.00 13.51 O ATOM 0 H ASP A 127 -1.901 11.557 -0.072 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.166 11.270 2.097 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -2.172 9.796 0.992 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.787 8.851 0.482 1.00 12.65 H new ATOM 1951 N ALA A 128 1.156 10.579 -0.822 1.00 12.51 N ATOM 1952 CA ALA A 128 2.409 10.307 -1.512 1.00 12.26 C ATOM 1953 C ALA A 128 3.281 11.555 -1.509 1.00 13.19 C ATOM 1954 O ALA A 128 4.508 11.475 -1.483 1.00 13.28 O ATOM 1955 CB ALA A 128 2.146 9.842 -2.937 1.00 11.90 C ATOM 0 H ALA A 128 0.374 10.797 -1.439 1.00 12.51 H new ATOM 0 HA ALA A 128 2.934 9.508 -0.987 1.00 12.26 H new ATOM 0 HB1 ALA A 128 3.095 9.644 -3.436 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.549 8.930 -2.918 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.606 10.618 -3.479 1.00 11.90 H new ATOM 1961 N LEU A 129 2.627 12.709 -1.534 1.00 13.95 N ATOM 1962 CA LEU A 129 3.312 13.990 -1.448 1.00 15.01 C ATOM 1963 C LEU A 129 3.998 14.125 -0.092 1.00 15.35 C ATOM 1964 O LEU A 129 5.176 14.474 -0.004 1.00 15.80 O ATOM 1965 CB LEU A 129 2.315 15.132 -1.652 1.00 15.79 C ATOM 1966 CG LEU A 129 2.924 16.532 -1.714 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.405 17.280 -2.929 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.613 17.303 -0.439 1.00 17.74 C ATOM 0 H LEU A 129 1.613 12.783 -1.614 1.00 13.95 H new ATOM 0 HA LEU A 129 4.069 14.041 -2.231 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.767 14.952 -2.577 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.588 15.106 -0.840 1.00 15.79 H new ATOM 0 HG LEU A 129 4.006 16.437 -1.803 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.848 18.276 -2.960 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.674 16.735 -3.834 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.320 17.367 -2.867 1.00 17.52 H new ATOM 0 HD21 LEU A 129 3.054 18.298 -0.499 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.533 17.391 -0.321 1.00 17.74 H new ATOM 0 HD23 LEU A 129 3.029 16.773 0.418 1.00 17.74 H new ATOM 1980 N LYS A 130 3.252 13.830 0.965 1.00 15.21 N ATOM 1981 CA LYS A 130 3.796 13.850 2.312 1.00 15.60 C ATOM 1982 C LYS A 130 4.895 12.802 2.435 1.00 14.90 C ATOM 1983 O LYS A 130 5.895 13.008 3.117 1.00 15.34 O ATOM 1984 CB LYS A 130 2.680 13.609 3.341 1.00 15.68 C ATOM 1985 CG LYS A 130 2.964 12.485 4.331 1.00 15.55 C ATOM 1986 CD LYS A 130 1.825 11.478 4.366 1.00 15.23 C ATOM 1987 CE LYS A 130 2.139 10.306 5.281 1.00 15.09 C ATOM 1988 NZ LYS A 130 1.022 9.326 5.335 1.00 15.23 N ATOM 0 H LYS A 130 2.266 13.574 0.913 1.00 15.21 H new ATOM 0 HA LYS A 130 4.229 14.830 2.514 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.510 14.531 3.897 1.00 15.68 H new ATOM 0 HB3 LYS A 130 1.756 13.383 2.809 1.00 15.68 H new ATOM 0 HG2 LYS A 130 3.890 11.980 4.055 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.113 12.903 5.326 1.00 15.55 H new ATOM 0 HD2 LYS A 130 0.914 11.971 4.705 1.00 15.23 H new ATOM 0 HD3 LYS A 130 1.632 11.111 3.358 1.00 15.23 H new ATOM 0 HE2 LYS A 130 3.043 9.806 4.933 1.00 15.09 H new ATOM 0 HE3 LYS A 130 2.346 10.676 6.285 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 1.218 8.616 6.069 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 0.136 9.822 5.561 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.929 8.854 4.413 1.00 15.23 H new ATOM 2002 N ALA A 131 4.709 11.686 1.745 1.00 13.87 N ATOM 2003 CA ALA A 131 5.688 10.614 1.752 1.00 13.19 C ATOM 2004 C ALA A 131 6.988 11.056 1.081 1.00 13.49 C ATOM 2005 O ALA A 131 8.073 10.724 1.552 1.00 13.49 O ATOM 2006 CB ALA A 131 5.123 9.371 1.080 1.00 12.14 C ATOM 0 H ALA A 131 3.886 11.501 1.172 1.00 13.87 H new ATOM 0 HA ALA A 131 5.916 10.367 2.789 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.871 8.578 1.094 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.233 9.041 1.616 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.860 9.603 0.048 1.00 12.14 H new ATOM 2012 N MET A 132 6.886 11.810 -0.013 1.00 13.87 N ATOM 2013 CA MET A 132 8.060 12.323 -0.701 1.00 14.40 C ATOM 2014 C MET A 132 8.788 13.354 0.154 1.00 15.49 C ATOM 2015 O MET A 132 10.002 13.518 0.046 1.00 16.00 O ATOM 2016 CB MET A 132 7.652 12.923 -2.059 1.00 14.59 C ATOM 2017 CG MET A 132 7.593 14.442 -2.096 1.00 15.65 C ATOM 2018 SD MET A 132 6.216 15.079 -3.077 1.00 16.00 S ATOM 2019 CE MET A 132 5.947 13.736 -4.235 1.00 15.55 C ATOM 0 H MET A 132 5.999 12.077 -0.439 1.00 13.87 H new ATOM 0 HA MET A 132 8.749 11.497 -0.877 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.358 12.583 -2.817 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.674 12.529 -2.335 1.00 14.59 H new ATOM 0 HG2 MET A 132 7.510 14.821 -1.077 1.00 15.65 H new ATOM 0 HG3 MET A 132 8.528 14.825 -2.503 1.00 15.65 H new ATOM 0 HE1 MET A 132 5.353 14.094 -5.076 1.00 15.55 H new ATOM 0 HE2 MET A 132 6.908 13.371 -4.599 1.00 15.55 H new ATOM 0 HE3 MET A 132 5.417 12.925 -3.735 1.00 15.55 H new ATOM 2029 N LYS A 133 8.044 14.043 1.008 1.00 15.95 N ATOM 2030 CA LYS A 133 8.628 15.054 1.874 1.00 17.04 C ATOM 2031 C LYS A 133 9.204 14.420 3.139 1.00 16.95 C ATOM 2032 O LYS A 133 10.275 14.801 3.607 1.00 17.55 O ATOM 2033 CB LYS A 133 7.574 16.102 2.243 1.00 17.76 C ATOM 2034 CG LYS A 133 7.728 17.421 1.498 1.00 18.70 C ATOM 2035 CD LYS A 133 7.480 17.259 0.006 1.00 18.27 C ATOM 2036 CE LYS A 133 6.216 17.980 -0.436 1.00 18.99 C ATOM 2037 NZ LYS A 133 6.413 18.725 -1.708 1.00 19.60 N ATOM 0 H LYS A 133 7.038 13.920 1.119 1.00 15.95 H new ATOM 0 HA LYS A 133 9.441 15.540 1.334 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.584 15.694 2.039 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.626 16.293 3.315 1.00 17.76 H new ATOM 0 HG2 LYS A 133 7.030 18.152 1.905 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.732 17.814 1.659 1.00 18.70 H new ATOM 0 HD2 LYS A 133 8.334 17.648 -0.549 1.00 18.27 H new ATOM 0 HD3 LYS A 133 7.398 16.199 -0.236 1.00 18.27 H new ATOM 0 HE2 LYS A 133 5.411 17.256 -0.561 1.00 18.99 H new ATOM 0 HE3 LYS A 133 5.903 18.673 0.345 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 5.527 19.201 -1.972 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 7.163 19.434 -1.582 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 6.687 18.061 -2.460 1.00 19.60 H new ATOM 2051 N GLN A 134 8.477 13.460 3.691 1.00 16.27 N ATOM 2052 CA GLN A 134 8.877 12.818 4.938 1.00 16.27 C ATOM 2053 C GLN A 134 9.756 11.597 4.697 1.00 15.45 C ATOM 2054 O GLN A 134 10.922 11.590 5.071 1.00 15.79 O ATOM 2055 CB GLN A 134 7.648 12.415 5.749 1.00 16.14 C ATOM 2056 CG GLN A 134 7.277 13.420 6.822 1.00 17.25 C ATOM 2057 CD GLN A 134 6.127 14.308 6.404 1.00 18.04 C ATOM 2058 OE1 GLN A 134 5.031 14.227 6.952 1.00 18.75 O ATOM 2059 NE2 GLN A 134 6.369 15.157 5.418 1.00 18.01 N ATOM 0 H GLN A 134 7.606 13.107 3.296 1.00 16.27 H new ATOM 0 HA GLN A 134 9.462 13.546 5.499 1.00 16.27 H new ATOM 0 HB2 GLN A 134 6.802 12.287 5.073 1.00 16.14 H new ATOM 0 HB3 GLN A 134 7.832 11.447 6.216 1.00 16.14 H new ATOM 0 HG2 GLN A 134 7.010 12.890 7.736 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.145 14.038 7.053 1.00 17.25 H new ATOM 0 HE21 GLN A 134 7.294 15.192 4.990 1.00 18.01 H new ATOM 0 HE22 GLN A 134 5.630 15.777 5.086 1.00 18.01 H new ATOM 2068 N TYR A 135 9.190 10.571 4.069 1.00 14.42 N ATOM 2069 CA TYR A 135 9.883 9.293 3.912 1.00 13.63 C ATOM 2070 C TYR A 135 11.143 9.428 3.072 1.00 13.70 C ATOM 2071 O TYR A 135 12.221 8.997 3.484 1.00 13.69 O ATOM 2072 CB TYR A 135 8.960 8.253 3.282 1.00 12.62 C ATOM 2073 CG TYR A 135 8.788 7.016 4.130 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.539 7.110 5.492 1.00 12.60 C ATOM 2075 CD2 TYR A 135 8.879 5.755 3.565 1.00 12.42 C ATOM 2076 CE1 TYR A 135 8.387 5.975 6.266 1.00 12.68 C ATOM 2077 CE2 TYR A 135 8.729 4.617 4.327 1.00 12.52 C ATOM 2078 CZ TYR A 135 8.460 4.750 5.703 1.00 12.67 C ATOM 2079 OH TYR A 135 8.338 3.599 6.446 1.00 12.97 O ATOM 0 H TYR A 135 8.256 10.597 3.661 1.00 14.42 H new ATOM 0 HA TYR A 135 10.174 8.965 4.910 1.00 13.63 H new ATOM 0 HB2 TYR A 135 7.983 8.703 3.106 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.358 7.966 2.309 1.00 12.62 H new ATOM 0 HD1 TYR A 135 8.463 8.083 5.954 1.00 12.60 H new ATOM 0 HD2 TYR A 135 9.071 5.662 2.506 1.00 12.42 H new ATOM 0 HE1 TYR A 135 8.209 6.069 7.327 1.00 12.68 H new ATOM 0 HE2 TYR A 135 8.816 3.639 3.877 1.00 12.52 H new ATOM 0 HH TYR A 135 8.224 2.833 5.846 1.00 12.97 H new ATOM 2089 N LYS A 136 11.010 10.018 1.893 1.00 13.88 N ATOM 2090 CA LYS A 136 12.153 10.182 1.011 1.00 14.15 C ATOM 2091 C LYS A 136 13.152 11.150 1.628 1.00 15.09 C ATOM 2092 O LYS A 136 12.847 12.327 1.836 1.00 15.85 O ATOM 2093 CB LYS A 136 11.715 10.669 -0.371 1.00 14.36 C ATOM 2094 CG LYS A 136 12.815 10.565 -1.411 1.00 14.69 C ATOM 2095 CD LYS A 136 12.638 11.586 -2.521 1.00 15.46 C ATOM 2096 CE LYS A 136 12.396 10.913 -3.864 1.00 15.93 C ATOM 2097 NZ LYS A 136 13.290 9.745 -4.077 1.00 16.56 N ATOM 0 H LYS A 136 10.132 10.387 1.529 1.00 13.88 H new ATOM 0 HA LYS A 136 12.633 9.212 0.886 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.855 10.086 -0.700 1.00 14.36 H new ATOM 0 HB3 LYS A 136 11.388 11.706 -0.298 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.783 10.712 -0.932 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.819 9.562 -1.837 1.00 14.69 H new ATOM 0 HD2 LYS A 136 11.799 12.241 -2.284 1.00 15.46 H new ATOM 0 HD3 LYS A 136 13.526 12.215 -2.583 1.00 15.46 H new ATOM 0 HE2 LYS A 136 11.357 10.589 -3.924 1.00 15.93 H new ATOM 0 HE3 LYS A 136 12.550 11.637 -4.664 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 13.560 9.693 -5.080 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 14.144 9.851 -3.494 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 12.792 8.873 -3.807 1.00 16.56 H new ATOM 2111 N GLY A 137 14.337 10.645 1.938 1.00 15.10 N ATOM 2112 CA GLY A 137 15.336 11.449 2.607 1.00 15.97 C ATOM 2113 C GLY A 137 15.627 10.936 4.003 1.00 15.85 C ATOM 2114 O GLY A 137 16.586 11.367 4.643 1.00 16.53 O ATOM 0 H GLY A 137 14.625 9.687 1.736 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.255 11.449 2.021 1.00 15.97 H new ATOM 0 HA3 GLY A 137 14.993 12.482 2.663 1.00 15.97 H new ATOM 2118 N VAL A 138 14.802 10.009 4.473 1.00 15.06 N ATOM 2119 CA VAL A 138 14.944 9.471 5.821 1.00 15.00 C ATOM 2120 C VAL A 138 15.911 8.290 5.853 1.00 14.61 C ATOM 2121 O VAL A 138 15.754 7.313 5.112 1.00 13.92 O ATOM 2122 CB VAL A 138 13.570 9.050 6.407 1.00 14.53 C ATOM 2123 CG1 VAL A 138 13.707 7.935 7.438 1.00 14.37 C ATOM 2124 CG2 VAL A 138 12.877 10.252 7.027 1.00 14.92 C ATOM 0 H VAL A 138 14.027 9.614 3.941 1.00 15.06 H new ATOM 0 HA VAL A 138 15.356 10.268 6.441 1.00 15.00 H new ATOM 0 HB VAL A 138 12.966 8.665 5.585 1.00 14.53 H new ATOM 0 HG11 VAL A 138 12.722 7.672 7.822 1.00 14.37 H new ATOM 0 HG12 VAL A 138 14.160 7.061 6.970 1.00 14.37 H new ATOM 0 HG13 VAL A 138 14.338 8.275 8.260 1.00 14.37 H new ATOM 0 HG21 VAL A 138 11.914 9.946 7.435 1.00 14.92 H new ATOM 0 HG22 VAL A 138 13.498 10.658 7.826 1.00 14.92 H new ATOM 0 HG23 VAL A 138 12.722 11.016 6.265 1.00 14.92 H new ATOM 2134 N PRO A 139 16.953 8.391 6.694 1.00 15.15 N ATOM 2135 CA PRO A 139 17.849 7.277 6.978 1.00 14.91 C ATOM 2136 C PRO A 139 17.139 6.223 7.811 1.00 14.45 C ATOM 2137 O PRO A 139 16.716 6.488 8.938 1.00 14.71 O ATOM 2138 CB PRO A 139 19.000 7.915 7.774 1.00 15.76 C ATOM 2139 CG PRO A 139 18.817 9.389 7.627 1.00 16.48 C ATOM 2140 CD PRO A 139 17.348 9.602 7.421 1.00 16.12 C ATOM 0 HA PRO A 139 18.195 6.774 6.075 1.00 14.91 H new ATOM 0 HB2 PRO A 139 18.964 7.618 8.822 1.00 15.76 H new ATOM 0 HB3 PRO A 139 19.968 7.599 7.386 1.00 15.76 H new ATOM 0 HG2 PRO A 139 19.168 9.916 8.514 1.00 16.48 H new ATOM 0 HG3 PRO A 139 19.389 9.771 6.782 1.00 16.48 H new ATOM 0 HD2 PRO A 139 16.815 9.700 8.367 1.00 16.12 H new ATOM 0 HD3 PRO A 139 17.145 10.505 6.846 1.00 16.12 H new ATOM 2148 N LEU A 140 17.016 5.027 7.266 1.00 13.94 N ATOM 2149 CA LEU A 140 16.237 3.989 7.902 1.00 13.62 C ATOM 2150 C LEU A 140 17.177 2.952 8.484 1.00 13.69 C ATOM 2151 O LEU A 140 17.706 2.113 7.757 1.00 13.37 O ATOM 2152 CB LEU A 140 15.278 3.339 6.901 1.00 12.88 C ATOM 2153 CG LEU A 140 14.011 2.742 7.512 1.00 12.84 C ATOM 2154 CD1 LEU A 140 12.858 3.731 7.425 1.00 13.08 C ATOM 2155 CD2 LEU A 140 13.650 1.437 6.816 1.00 12.35 C ATOM 0 H LEU A 140 17.447 4.753 6.383 1.00 13.94 H new ATOM 0 HA LEU A 140 15.638 4.428 8.700 1.00 13.62 H new ATOM 0 HB2 LEU A 140 14.989 4.085 6.161 1.00 12.88 H new ATOM 0 HB3 LEU A 140 15.812 2.552 6.368 1.00 12.88 H new ATOM 0 HG LEU A 140 14.202 2.531 8.564 1.00 12.84 H new ATOM 0 HD11 LEU A 140 11.965 3.288 7.865 1.00 13.08 H new ATOM 0 HD12 LEU A 140 13.117 4.640 7.967 1.00 13.08 H new ATOM 0 HD13 LEU A 140 12.665 3.974 6.380 1.00 13.08 H new ATOM 0 HD21 LEU A 140 12.745 1.024 7.263 1.00 12.35 H new ATOM 0 HD22 LEU A 140 13.478 1.625 5.756 1.00 12.35 H new ATOM 0 HD23 LEU A 140 14.468 0.726 6.930 1.00 12.35 H new ATOM 2167 N ASP A 141 17.367 3.028 9.794 1.00 14.24 N ATOM 2168 CA ASP A 141 18.360 2.220 10.494 1.00 14.50 C ATOM 2169 C ASP A 141 19.727 2.325 9.827 1.00 14.65 C ATOM 2170 O ASP A 141 20.111 1.489 9.008 1.00 14.60 O ATOM 2171 CB ASP A 141 17.927 0.757 10.590 1.00 14.25 C ATOM 2172 CG ASP A 141 18.343 0.138 11.907 1.00 14.67 C ATOM 2173 OD1 ASP A 141 18.184 0.801 12.955 1.00 15.08 O ATOM 2174 OD2 ASP A 141 18.835 -1.009 11.906 1.00 14.68 O ATOM 0 H ASP A 141 16.837 3.652 10.403 1.00 14.24 H new ATOM 0 HA ASP A 141 18.440 2.616 11.506 1.00 14.50 H new ATOM 0 HB2 ASP A 141 16.845 0.689 10.481 1.00 14.25 H new ATOM 0 HB3 ASP A 141 18.366 0.192 9.767 1.00 14.25 H new ATOM 2179 N GLY A 142 20.454 3.372 10.159 1.00 14.99 N ATOM 2180 CA GLY A 142 21.788 3.524 9.637 1.00 15.30 C ATOM 2181 C GLY A 142 21.838 4.347 8.369 1.00 15.13 C ATOM 2182 O GLY A 142 22.453 5.414 8.348 1.00 15.53 O ATOM 0 H GLY A 142 20.145 4.120 10.780 1.00 14.99 H new ATOM 0 HA2 GLY A 142 22.416 3.994 10.393 1.00 15.30 H new ATOM 0 HA3 GLY A 142 22.209 2.538 9.440 1.00 15.30 H new ATOM 2186 N ARG A 143 21.192 3.876 7.309 1.00 14.64 N ATOM 2187 CA ARG A 143 21.340 4.501 6.000 1.00 14.58 C ATOM 2188 C ARG A 143 19.990 4.900 5.423 1.00 14.18 C ATOM 2189 O ARG A 143 18.982 4.250 5.685 1.00 13.64 O ATOM 2190 CB ARG A 143 22.036 3.532 5.045 1.00 14.55 C ATOM 2191 CG ARG A 143 21.345 2.179 4.952 1.00 14.62 C ATOM 2192 CD ARG A 143 22.058 1.253 3.986 1.00 15.01 C ATOM 2193 NE ARG A 143 23.312 0.749 4.537 1.00 15.55 N ATOM 2194 CZ ARG A 143 24.317 0.291 3.797 1.00 16.06 C ATOM 2195 NH1 ARG A 143 24.232 0.303 2.473 1.00 16.09 N ATOM 2196 NH2 ARG A 143 25.413 -0.171 4.384 1.00 16.66 N ATOM 0 H ARG A 143 20.566 3.071 7.329 1.00 14.64 H new ATOM 0 HA ARG A 143 21.941 5.403 6.120 1.00 14.58 H new ATOM 0 HB2 ARG A 143 22.079 3.979 4.052 1.00 14.55 H new ATOM 0 HB3 ARG A 143 23.065 3.385 5.373 1.00 14.55 H new ATOM 0 HG2 ARG A 143 21.311 1.719 5.940 1.00 14.62 H new ATOM 0 HG3 ARG A 143 20.313 2.318 4.629 1.00 14.62 H new ATOM 0 HD2 ARG A 143 21.407 0.414 3.740 1.00 15.01 H new ATOM 0 HD3 ARG A 143 22.258 1.784 3.056 1.00 15.01 H new ATOM 0 HE ARG A 143 23.424 0.748 5.551 1.00 15.55 H new ATOM 0 HH11 ARG A 143 23.393 0.665 2.019 1.00 16.09 H new ATOM 0 HH12 ARG A 143 25.005 -0.049 1.909 1.00 16.09 H new ATOM 0 HH21 ARG A 143 25.484 -0.175 5.402 1.00 16.66 H new ATOM 0 HH22 ARG A 143 26.185 -0.523 3.818 1.00 16.66 H new ATOM 2210 N PRO A 144 19.952 5.981 4.627 1.00 14.56 N ATOM 2211 CA PRO A 144 18.726 6.438 3.969 1.00 14.25 C ATOM 2212 C PRO A 144 18.155 5.385 3.030 1.00 13.50 C ATOM 2213 O PRO A 144 18.881 4.786 2.230 1.00 13.51 O ATOM 2214 CB PRO A 144 19.168 7.676 3.181 1.00 15.09 C ATOM 2215 CG PRO A 144 20.443 8.104 3.820 1.00 15.66 C ATOM 2216 CD PRO A 144 21.098 6.846 4.307 1.00 15.41 C ATOM 0 HA PRO A 144 17.934 6.645 4.689 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.314 7.441 2.127 1.00 15.09 H new ATOM 0 HB3 PRO A 144 18.417 8.465 3.231 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.081 8.627 3.108 1.00 15.66 H new ATOM 0 HG3 PRO A 144 20.256 8.792 4.645 1.00 15.66 H new ATOM 0 HD2 PRO A 144 21.738 6.403 3.544 1.00 15.41 H new ATOM 0 HD3 PRO A 144 21.723 7.028 5.181 1.00 15.41 H new ATOM 2224 N MET A 145 16.858 5.155 3.139 1.00 12.97 N ATOM 2225 CA MET A 145 16.192 4.179 2.294 1.00 12.29 C ATOM 2226 C MET A 145 15.639 4.860 1.052 1.00 12.48 C ATOM 2227 O MET A 145 15.474 6.077 1.023 1.00 13.04 O ATOM 2228 CB MET A 145 15.076 3.457 3.057 1.00 11.64 C ATOM 2229 CG MET A 145 13.837 4.305 3.299 1.00 11.69 C ATOM 2230 SD MET A 145 12.374 3.307 3.653 1.00 11.33 S ATOM 2231 CE MET A 145 12.115 2.507 2.071 1.00 11.40 C ATOM 0 H MET A 145 16.246 5.630 3.803 1.00 12.97 H new ATOM 0 HA MET A 145 16.923 3.430 1.991 1.00 12.29 H new ATOM 0 HB2 MET A 145 14.789 2.565 2.500 1.00 11.64 H new ATOM 0 HB3 MET A 145 15.466 3.121 4.018 1.00 11.64 H new ATOM 0 HG2 MET A 145 14.021 4.982 4.133 1.00 11.69 H new ATOM 0 HG3 MET A 145 13.647 4.924 2.422 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.067 2.596 1.786 1.00 11.40 H new ATOM 0 HE2 MET A 145 12.738 2.985 1.315 1.00 11.40 H new ATOM 0 HE3 MET A 145 12.382 1.453 2.148 1.00 11.40 H new ATOM 2241 N ASP A 146 15.357 4.071 0.032 1.00 12.13 N ATOM 2242 CA ASP A 146 14.887 4.627 -1.226 1.00 12.38 C ATOM 2243 C ASP A 146 13.390 4.456 -1.375 1.00 11.73 C ATOM 2244 O ASP A 146 12.831 3.418 -1.028 1.00 11.11 O ATOM 2245 CB ASP A 146 15.609 3.989 -2.413 1.00 12.64 C ATOM 2246 CG ASP A 146 15.152 4.569 -3.738 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.487 5.739 -4.026 1.00 13.71 O ATOM 2248 OD2 ASP A 146 14.458 3.861 -4.495 1.00 13.51 O ATOM 0 H ASP A 146 15.443 3.055 0.047 1.00 12.13 H new ATOM 0 HA ASP A 146 15.113 5.693 -1.215 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.684 4.136 -2.305 1.00 12.64 H new ATOM 0 HB3 ASP A 146 15.433 2.913 -2.409 1.00 12.64 H new ATOM 2253 N ILE A 147 12.748 5.508 -1.853 1.00 11.99 N ATOM 2254 CA ILE A 147 11.322 5.497 -2.111 1.00 11.55 C ATOM 2255 C ILE A 147 11.017 6.349 -3.329 1.00 12.03 C ATOM 2256 O ILE A 147 11.568 7.445 -3.486 1.00 12.66 O ATOM 2257 CB ILE A 147 10.494 6.025 -0.914 1.00 11.54 C ATOM 2258 CG1 ILE A 147 11.318 7.013 -0.070 1.00 12.01 C ATOM 2259 CG2 ILE A 147 9.972 4.869 -0.070 1.00 10.85 C ATOM 2260 CD1 ILE A 147 11.868 6.437 1.221 1.00 11.93 C ATOM 0 H ILE A 147 13.203 6.394 -2.073 1.00 11.99 H new ATOM 0 HA ILE A 147 11.039 4.458 -2.280 1.00 11.55 H new ATOM 0 HB ILE A 147 9.632 6.567 -1.304 1.00 11.54 H new ATOM 0 HG12 ILE A 147 12.150 7.379 -0.672 1.00 12.01 H new ATOM 0 HG13 ILE A 147 10.694 7.874 0.169 1.00 12.01 H new ATOM 0 HG21 ILE A 147 9.393 5.261 0.766 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.337 4.229 -0.683 1.00 10.85 H new ATOM 0 HG23 ILE A 147 10.812 4.289 0.311 1.00 10.85 H new ATOM 0 HD11 ILE A 147 12.434 7.204 1.749 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.044 6.098 1.848 1.00 11.93 H new ATOM 0 HD13 ILE A 147 12.522 5.595 0.994 1.00 11.93 H new ATOM 2272 N GLN A 148 10.152 5.848 -4.190 1.00 11.86 N ATOM 2273 CA GLN A 148 9.741 6.586 -5.366 1.00 12.36 C ATOM 2274 C GLN A 148 8.266 6.876 -5.277 1.00 11.92 C ATOM 2275 O GLN A 148 7.430 5.985 -5.408 1.00 11.28 O ATOM 2276 CB GLN A 148 10.061 5.831 -6.644 1.00 12.71 C ATOM 2277 CG GLN A 148 11.541 5.834 -6.978 1.00 13.36 C ATOM 2278 CD GLN A 148 11.981 4.562 -7.666 1.00 13.82 C ATOM 2279 OE1 GLN A 148 11.730 4.373 -8.855 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.642 3.686 -6.929 1.00 13.78 N ATOM 0 H GLN A 148 9.720 4.929 -4.095 1.00 11.86 H new ATOM 0 HA GLN A 148 10.298 7.522 -5.400 1.00 12.36 H new ATOM 0 HB2 GLN A 148 9.718 4.801 -6.547 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.506 6.275 -7.471 1.00 12.71 H new ATOM 0 HG2 GLN A 148 11.764 6.686 -7.620 1.00 13.36 H new ATOM 0 HG3 GLN A 148 12.117 5.966 -6.062 1.00 13.36 H new ATOM 0 HE21 GLN A 148 12.828 3.884 -5.946 1.00 13.78 H new ATOM 0 HE22 GLN A 148 12.966 2.812 -7.343 1.00 13.78 H new ATOM 2289 N LEU A 149 7.958 8.123 -5.036 1.00 12.38 N ATOM 2290 CA LEU A 149 6.619 8.520 -4.719 1.00 12.11 C ATOM 2291 C LEU A 149 6.010 9.278 -5.886 1.00 12.57 C ATOM 2292 O LEU A 149 6.287 10.461 -6.105 1.00 13.35 O ATOM 2293 CB LEU A 149 6.704 9.343 -3.443 1.00 12.48 C ATOM 2294 CG LEU A 149 7.951 8.989 -2.613 1.00 12.21 C ATOM 2295 CD1 LEU A 149 9.041 10.032 -2.783 1.00 11.94 C ATOM 2296 CD2 LEU A 149 7.608 8.800 -1.151 1.00 12.16 C ATOM 0 H LEU A 149 8.631 8.889 -5.055 1.00 12.38 H new ATOM 0 HA LEU A 149 5.960 7.668 -4.551 1.00 12.11 H new ATOM 0 HB2 LEU A 149 6.725 10.403 -3.696 1.00 12.48 H new ATOM 0 HB3 LEU A 149 5.809 9.176 -2.843 1.00 12.48 H new ATOM 0 HG LEU A 149 8.333 8.040 -2.990 1.00 12.21 H new ATOM 0 HD11 LEU A 149 9.908 9.753 -2.184 1.00 11.94 H new ATOM 0 HD12 LEU A 149 9.329 10.090 -3.833 1.00 11.94 H new ATOM 0 HD13 LEU A 149 8.670 11.003 -2.454 1.00 11.94 H new ATOM 0 HD21 LEU A 149 8.512 8.551 -0.595 1.00 12.16 H new ATOM 0 HD22 LEU A 149 7.181 9.721 -0.756 1.00 12.16 H new ATOM 0 HD23 LEU A 149 6.884 7.991 -1.049 1.00 12.16 H new ATOM 2308 N VAL A 150 5.179 8.570 -6.633 1.00 12.18 N ATOM 2309 CA VAL A 150 4.564 9.111 -7.828 1.00 12.66 C ATOM 2310 C VAL A 150 3.062 8.844 -7.805 1.00 12.39 C ATOM 2311 O VAL A 150 2.622 7.706 -7.660 1.00 11.73 O ATOM 2312 CB VAL A 150 5.204 8.531 -9.117 1.00 12.72 C ATOM 2313 CG1 VAL A 150 5.299 7.012 -9.054 1.00 13.21 C ATOM 2314 CG2 VAL A 150 4.436 8.974 -10.355 1.00 12.72 C ATOM 0 H VAL A 150 4.914 7.607 -6.427 1.00 12.18 H new ATOM 0 HA VAL A 150 4.736 10.187 -7.839 1.00 12.66 H new ATOM 0 HB VAL A 150 6.218 8.925 -9.187 1.00 12.72 H new ATOM 0 HG11 VAL A 150 5.752 6.637 -9.972 1.00 13.21 H new ATOM 0 HG12 VAL A 150 5.913 6.721 -8.202 1.00 13.21 H new ATOM 0 HG13 VAL A 150 4.300 6.589 -8.943 1.00 13.21 H new ATOM 0 HG21 VAL A 150 4.906 8.554 -11.244 1.00 12.72 H new ATOM 0 HG22 VAL A 150 3.406 8.624 -10.289 1.00 12.72 H new ATOM 0 HG23 VAL A 150 4.446 10.062 -10.419 1.00 12.72 H new ATOM 2324 N ALA A 151 2.275 9.891 -7.929 1.00 13.01 N ATOM 2325 CA ALA A 151 0.838 9.759 -7.807 1.00 12.96 C ATOM 2326 C ALA A 151 0.129 10.272 -9.063 1.00 13.33 C ATOM 2327 O ALA A 151 0.377 9.766 -10.161 1.00 13.35 O ATOM 2328 CB ALA A 151 0.366 10.466 -6.542 1.00 12.65 C ATOM 0 H ALA A 151 2.603 10.839 -8.113 1.00 13.01 H new ATOM 0 HA ALA A 151 0.578 8.704 -7.718 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -0.716 10.366 -6.451 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.846 10.016 -5.673 1.00 12.65 H new ATOM 0 HB3 ALA A 151 0.629 11.522 -6.596 1.00 12.65 H new