USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 743 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 58 GLN : amide:sc= 0 K(o=-0.065,f=-0.68) USER MOD Set 1.2: A 65 THR OG1 : rot 150:sc= -0.0645 USER MOD Single : A 13 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.27) USER MOD Single : A 15 GLN : amide:sc= -0.135 K(o=-0.13,f=-2!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.131 USER MOD Single : A 29 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-8.2!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 113:sc= 0.347 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -121:sc= -0.338 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 46:sc= 0.804 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -166:sc= -0.597 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.58) USER MOD Single : A 73 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.043) USER MOD Single : A 74 THR OG1 : rot 102:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.669 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -21:sc= 0.203 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 92 SER OG : rot 180:sc= 0.359 USER MOD Single : A 94 SER OG : rot -6:sc= -3.6! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 167:sc= 1.54 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 6.074 14.330 -3.195 1.00 0.00 N ATOM 67 CA PRO A 8 5.373 14.255 -1.909 1.00 0.00 C ATOM 68 C PRO A 8 3.891 13.936 -2.075 1.00 0.00 C ATOM 69 O PRO A 8 3.188 13.686 -1.096 1.00 0.00 O ATOM 70 CB PRO A 8 5.556 15.657 -1.324 1.00 0.00 C ATOM 71 CG PRO A 8 5.756 16.539 -2.508 1.00 0.00 C ATOM 72 CD PRO A 8 6.481 15.705 -3.528 1.00 0.00 C ATOM 0 HA PRO A 8 5.766 13.459 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.683 15.962 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.413 15.697 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.801 16.890 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.336 17.423 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.194 15.974 -4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.561 15.833 -3.457 1.00 0.00 H new ATOM 80 N ASP A 9 3.424 13.946 -3.318 1.00 0.00 N ATOM 81 CA ASP A 9 2.025 13.656 -3.611 1.00 0.00 C ATOM 82 C ASP A 9 1.573 12.385 -2.899 1.00 0.00 C ATOM 83 O ASP A 9 0.482 12.334 -2.332 1.00 0.00 O ATOM 84 CB ASP A 9 1.817 13.513 -5.120 1.00 0.00 C ATOM 85 CG ASP A 9 0.392 13.814 -5.539 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.515 13.050 -5.148 1.00 0.00 O ATOM 87 OD2 ASP A 9 0.183 14.813 -6.258 1.00 0.00 O ATOM 0 H ASP A 9 3.993 14.152 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 9 1.423 14.488 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.496 14.186 -5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.076 12.499 -5.425 1.00 0.00 H new ATOM 92 N ALA A 10 2.418 11.361 -2.934 1.00 0.00 N ATOM 93 CA ALA A 10 2.106 10.090 -2.292 1.00 0.00 C ATOM 94 C ALA A 10 2.299 10.176 -0.782 1.00 0.00 C ATOM 95 O ALA A 10 2.998 11.051 -0.270 1.00 0.00 O ATOM 96 CB ALA A 10 2.967 8.979 -2.874 1.00 0.00 C ATOM 0 H ALA A 10 3.325 11.386 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 10 1.058 9.861 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.723 8.036 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.776 8.893 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.019 9.211 -2.711 1.00 0.00 H new ATOM 102 N PRO A 11 1.667 9.247 -0.050 1.00 0.00 N ATOM 103 CA PRO A 11 1.754 9.197 1.413 1.00 0.00 C ATOM 104 C PRO A 11 3.138 8.777 1.897 1.00 0.00 C ATOM 105 O PRO A 11 4.061 8.610 1.099 1.00 0.00 O ATOM 106 CB PRO A 11 0.712 8.144 1.795 1.00 0.00 C ATOM 107 CG PRO A 11 0.593 7.274 0.591 1.00 0.00 C ATOM 108 CD PRO A 11 0.818 8.174 -0.593 1.00 0.00 C ATOM 0 HA PRO A 11 1.579 10.173 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.029 7.572 2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.243 8.605 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.329 6.470 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.390 6.805 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.310 7.647 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.121 8.564 -0.985 1.00 0.00 H new ATOM 116 N ARG A 12 3.275 8.608 3.208 1.00 0.00 N ATOM 117 CA ARG A 12 4.547 8.208 3.798 1.00 0.00 C ATOM 118 C ARG A 12 4.329 7.508 5.136 1.00 0.00 C ATOM 119 O ARG A 12 3.223 7.506 5.674 1.00 0.00 O ATOM 120 CB ARG A 12 5.451 9.428 3.989 1.00 0.00 C ATOM 121 CG ARG A 12 5.480 10.359 2.788 1.00 0.00 C ATOM 122 CD ARG A 12 6.247 11.636 3.092 1.00 0.00 C ATOM 123 NE ARG A 12 7.687 11.405 3.171 1.00 0.00 N ATOM 124 CZ ARG A 12 8.443 11.117 2.118 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.900 11.026 0.912 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.747 10.919 2.270 1.00 0.00 N ATOM 0 H ARG A 12 2.521 8.742 3.882 1.00 0.00 H new ATOM 0 HA ARG A 12 5.032 7.509 3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.114 9.986 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.465 9.089 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.941 9.849 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.460 10.607 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.041 12.376 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.895 12.054 4.035 1.00 0.00 H new ATOM 0 HE ARG A 12 8.136 11.468 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.899 11.177 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.484 10.805 0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.169 10.988 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.327 10.698 1.461 1.00 0.00 H new ATOM 140 N ASN A 13 5.393 6.913 5.666 1.00 0.00 N ATOM 141 CA ASN A 13 5.318 6.208 6.941 1.00 0.00 C ATOM 142 C ASN A 13 4.420 4.980 6.831 1.00 0.00 C ATOM 143 O ASN A 13 3.529 4.773 7.656 1.00 0.00 O ATOM 144 CB ASN A 13 4.794 7.142 8.034 1.00 0.00 C ATOM 145 CG ASN A 13 5.244 6.721 9.419 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.424 6.453 9.646 1.00 0.00 O ATOM 147 ND2 ASN A 13 4.303 6.660 10.354 1.00 0.00 N ATOM 0 H ASN A 13 6.316 6.905 5.233 1.00 0.00 H new ATOM 0 HA ASN A 13 6.323 5.878 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.138 8.157 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.705 7.162 7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.546 6.382 11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.337 6.891 10.121 1.00 0.00 H new ATOM 154 N LEU A 14 4.660 4.168 5.808 1.00 0.00 N ATOM 155 CA LEU A 14 3.873 2.959 5.590 1.00 0.00 C ATOM 156 C LEU A 14 4.186 1.908 6.650 1.00 0.00 C ATOM 157 O LEU A 14 5.321 1.448 6.765 1.00 0.00 O ATOM 158 CB LEU A 14 4.149 2.392 4.196 1.00 0.00 C ATOM 159 CG LEU A 14 3.309 1.183 3.785 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.885 1.322 4.300 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.316 1.017 2.272 1.00 0.00 C ATOM 0 H LEU A 14 5.393 4.324 5.116 1.00 0.00 H new ATOM 0 HA LEU A 14 2.818 3.222 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.990 3.185 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.201 2.114 4.141 1.00 0.00 H new ATOM 0 HG LEU A 14 3.750 0.291 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.302 0.452 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.897 1.391 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.434 2.223 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.713 0.151 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.901 1.911 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.339 0.870 1.927 1.00 0.00 H new ATOM 173 N GLN A 15 3.170 1.530 7.419 1.00 0.00 N ATOM 174 CA GLN A 15 3.336 0.532 8.468 1.00 0.00 C ATOM 175 C GLN A 15 2.343 -0.612 8.294 1.00 0.00 C ATOM 176 O GLN A 15 1.133 -0.393 8.227 1.00 0.00 O ATOM 177 CB GLN A 15 3.157 1.173 9.845 1.00 0.00 C ATOM 178 CG GLN A 15 4.011 0.535 10.929 1.00 0.00 C ATOM 179 CD GLN A 15 3.455 0.765 12.321 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.274 1.071 12.487 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.305 0.618 13.330 1.00 0.00 N ATOM 0 H GLN A 15 2.223 1.900 7.335 1.00 0.00 H new ATOM 0 HA GLN A 15 4.345 0.127 8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.402 2.233 9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.108 1.106 10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.085 -0.537 10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.022 0.939 10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.275 0.363 13.146 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.988 0.760 14.289 1.00 0.00 H new ATOM 190 N LEU A 16 2.861 -1.833 8.220 1.00 0.00 N ATOM 191 CA LEU A 16 2.019 -3.013 8.053 1.00 0.00 C ATOM 192 C LEU A 16 1.846 -3.750 9.377 1.00 0.00 C ATOM 193 O LEU A 16 2.787 -3.866 10.162 1.00 0.00 O ATOM 194 CB LEU A 16 2.625 -3.952 7.008 1.00 0.00 C ATOM 195 CG LEU A 16 2.494 -3.508 5.551 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.217 -4.061 4.937 1.00 0.00 C ATOM 197 CD2 LEU A 16 2.523 -1.990 5.451 1.00 0.00 C ATOM 0 H LEU A 16 3.860 -2.032 8.273 1.00 0.00 H new ATOM 0 HA LEU A 16 1.038 -2.684 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.684 -4.080 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.156 -4.930 7.112 1.00 0.00 H new ATOM 0 HG LEU A 16 3.342 -3.905 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.141 -3.735 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.238 -5.150 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.356 -3.695 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.429 -1.692 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.695 -1.572 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.466 -1.617 5.851 1.00 0.00 H new ATOM 209 N SER A 17 0.637 -4.249 9.617 1.00 0.00 N ATOM 210 CA SER A 17 0.340 -4.974 10.847 1.00 0.00 C ATOM 211 C SER A 17 -0.726 -6.038 10.605 1.00 0.00 C ATOM 212 O SER A 17 -1.308 -6.117 9.523 1.00 0.00 O ATOM 213 CB SER A 17 -0.127 -4.005 11.935 1.00 0.00 C ATOM 214 OG SER A 17 0.456 -2.725 11.763 1.00 0.00 O ATOM 0 H SER A 17 -0.152 -4.164 8.976 1.00 0.00 H new ATOM 0 HA SER A 17 1.253 -5.468 11.179 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.213 -3.920 11.908 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.138 -4.400 12.916 1.00 0.00 H new ATOM 0 HG SER A 17 0.140 -2.124 12.470 1.00 0.00 H new ATOM 220 N LEU A 18 -0.976 -6.856 11.622 1.00 0.00 N ATOM 221 CA LEU A 18 -1.973 -7.917 11.522 1.00 0.00 C ATOM 222 C LEU A 18 -2.954 -7.855 12.688 1.00 0.00 C ATOM 223 O LEU A 18 -2.566 -7.755 13.853 1.00 0.00 O ATOM 224 CB LEU A 18 -1.288 -9.285 11.490 1.00 0.00 C ATOM 225 CG LEU A 18 -0.407 -9.566 10.272 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.095 -9.104 8.997 1.00 0.00 C ATOM 227 CD2 LEU A 18 0.947 -8.887 10.425 1.00 0.00 C ATOM 0 H LEU A 18 -0.503 -6.805 12.524 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.529 -7.773 10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.676 -9.384 12.387 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.057 -10.056 11.543 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.247 -10.642 10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.453 -9.312 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.039 -9.636 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.287 -8.033 9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.561 -9.098 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.806 -7.810 10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.445 -9.266 11.317 1.00 0.00 H new ATOM 239 N PRO A 19 -4.255 -7.916 12.371 1.00 0.00 N ATOM 240 CA PRO A 19 -5.319 -7.870 13.378 1.00 0.00 C ATOM 241 C PRO A 19 -5.366 -9.135 14.229 1.00 0.00 C ATOM 242 O PRO A 19 -5.417 -10.247 13.702 1.00 0.00 O ATOM 243 CB PRO A 19 -6.594 -7.740 12.542 1.00 0.00 C ATOM 244 CG PRO A 19 -6.246 -8.337 11.223 1.00 0.00 C ATOM 245 CD PRO A 19 -4.789 -8.034 11.004 1.00 0.00 C ATOM 0 HA PRO A 19 -5.174 -7.055 14.087 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.427 -8.267 13.007 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.894 -6.697 12.438 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.426 -9.412 11.221 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.857 -7.910 10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.293 -8.828 10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.651 -7.113 10.438 1.00 0.00 H new ATOM 253 N ARG A 20 -5.351 -8.958 15.546 1.00 0.00 N ATOM 254 CA ARG A 20 -5.391 -10.086 16.469 1.00 0.00 C ATOM 255 C ARG A 20 -6.808 -10.642 16.587 1.00 0.00 C ATOM 256 O ARG A 20 -7.059 -11.566 17.359 1.00 0.00 O ATOM 257 CB ARG A 20 -4.881 -9.663 17.847 1.00 0.00 C ATOM 258 CG ARG A 20 -5.878 -8.829 18.635 1.00 0.00 C ATOM 259 CD ARG A 20 -5.177 -7.924 19.637 1.00 0.00 C ATOM 260 NE ARG A 20 -5.005 -8.574 20.934 1.00 0.00 N ATOM 261 CZ ARG A 20 -3.986 -9.375 21.225 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.053 -9.623 20.316 1.00 0.00 N ATOM 263 NH2 ARG A 20 -3.898 -9.929 22.428 1.00 0.00 N ATOM 0 H ARG A 20 -5.311 -8.044 15.998 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.744 -10.869 16.075 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.631 -10.555 18.422 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.960 -9.094 17.725 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.471 -8.224 17.949 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.571 -9.487 19.160 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.202 -7.635 19.244 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.754 -7.008 19.764 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.706 -8.403 21.655 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.117 -9.198 19.391 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.272 -10.238 20.542 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.613 -9.740 23.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.115 -10.544 22.650 1.00 0.00 H new ATOM 277 N GLU A 21 -7.728 -10.070 15.816 1.00 0.00 N ATOM 278 CA GLU A 21 -9.119 -10.508 15.836 1.00 0.00 C ATOM 279 C GLU A 21 -9.595 -10.871 14.432 1.00 0.00 C ATOM 280 O GLU A 21 -10.790 -11.043 14.196 1.00 0.00 O ATOM 281 CB GLU A 21 -10.013 -9.413 16.422 1.00 0.00 C ATOM 282 CG GLU A 21 -10.067 -9.420 17.941 1.00 0.00 C ATOM 283 CD GLU A 21 -10.945 -8.317 18.498 1.00 0.00 C ATOM 284 OE1 GLU A 21 -12.162 -8.550 18.655 1.00 0.00 O ATOM 285 OE2 GLU A 21 -10.417 -7.221 18.777 1.00 0.00 O ATOM 0 H GLU A 21 -7.536 -9.304 15.171 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.185 -11.396 16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.652 -8.442 16.084 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.023 -9.532 16.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.441 -10.385 18.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.057 -9.311 18.337 1.00 0.00 H new ATOM 292 N ALA A 22 -8.650 -10.985 13.504 1.00 0.00 N ATOM 293 CA ALA A 22 -8.972 -11.329 12.125 1.00 0.00 C ATOM 294 C ALA A 22 -7.829 -12.097 11.470 1.00 0.00 C ATOM 295 O ALA A 22 -6.659 -11.775 11.670 1.00 0.00 O ATOM 296 CB ALA A 22 -9.291 -10.073 11.329 1.00 0.00 C ATOM 0 H ALA A 22 -7.656 -10.844 13.683 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.851 -11.974 12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.530 -10.345 10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.145 -9.565 11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.428 -9.408 11.337 1.00 0.00 H new ATOM 302 N GLU A 23 -8.178 -13.114 10.687 1.00 0.00 N ATOM 303 CA GLU A 23 -7.179 -13.929 10.005 1.00 0.00 C ATOM 304 C GLU A 23 -7.096 -13.561 8.526 1.00 0.00 C ATOM 305 O GLU A 23 -8.053 -13.047 7.948 1.00 0.00 O ATOM 306 CB GLU A 23 -7.512 -15.415 10.154 1.00 0.00 C ATOM 307 CG GLU A 23 -7.805 -15.832 11.585 1.00 0.00 C ATOM 308 CD GLU A 23 -8.757 -17.010 11.666 1.00 0.00 C ATOM 309 OE1 GLU A 23 -8.415 -18.086 11.133 1.00 0.00 O ATOM 310 OE2 GLU A 23 -9.844 -16.855 12.261 1.00 0.00 O ATOM 0 H GLU A 23 -9.143 -13.392 10.510 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.211 -13.733 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.376 -15.649 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.677 -16.005 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.870 -16.090 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.231 -14.987 12.126 1.00 0.00 H new ATOM 317 N GLY A 24 -5.943 -13.827 7.920 1.00 0.00 N ATOM 318 CA GLY A 24 -5.755 -13.518 6.514 1.00 0.00 C ATOM 319 C GLY A 24 -6.088 -12.075 6.189 1.00 0.00 C ATOM 320 O GLY A 24 -6.598 -11.776 5.109 1.00 0.00 O ATOM 0 H GLY A 24 -5.136 -14.251 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.721 -13.721 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.382 -14.177 5.913 1.00 0.00 H new ATOM 324 N VAL A 25 -5.800 -11.177 7.126 1.00 0.00 N ATOM 325 CA VAL A 25 -6.073 -9.758 6.934 1.00 0.00 C ATOM 326 C VAL A 25 -4.858 -8.911 7.297 1.00 0.00 C ATOM 327 O VAL A 25 -4.190 -9.164 8.300 1.00 0.00 O ATOM 328 CB VAL A 25 -7.276 -9.298 7.779 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.428 -7.786 7.714 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.548 -9.991 7.314 1.00 0.00 C ATOM 0 H VAL A 25 -5.378 -11.407 8.025 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.306 -9.621 5.878 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.096 -9.576 8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.283 -7.480 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.525 -7.313 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.586 -7.480 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.388 -9.655 7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.735 -9.745 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.434 -11.070 7.418 1.00 0.00 H new ATOM 340 N ILE A 26 -4.578 -7.905 6.475 1.00 0.00 N ATOM 341 CA ILE A 26 -3.445 -7.019 6.711 1.00 0.00 C ATOM 342 C ILE A 26 -3.899 -5.571 6.856 1.00 0.00 C ATOM 343 O ILE A 26 -4.650 -5.059 6.025 1.00 0.00 O ATOM 344 CB ILE A 26 -2.413 -7.110 5.571 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.843 -8.528 5.482 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.297 -6.098 5.784 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.700 -8.658 4.500 1.00 0.00 C ATOM 0 H ILE A 26 -5.120 -7.683 5.640 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.978 -7.345 7.640 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.912 -6.879 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.500 -8.836 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.639 -9.214 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.576 -6.175 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.717 -5.092 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.798 -6.301 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.345 -9.689 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.043 -8.381 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.114 -7.998 4.799 1.00 0.00 H new ATOM 359 N VAL A 27 -3.438 -4.915 7.916 1.00 0.00 N ATOM 360 CA VAL A 27 -3.795 -3.524 8.168 1.00 0.00 C ATOM 361 C VAL A 27 -2.634 -2.591 7.842 1.00 0.00 C ATOM 362 O VAL A 27 -1.695 -2.454 8.625 1.00 0.00 O ATOM 363 CB VAL A 27 -4.214 -3.309 9.635 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.517 -1.841 9.895 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.415 -4.178 9.977 1.00 0.00 C ATOM 0 H VAL A 27 -2.817 -5.324 8.614 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.639 -3.291 7.518 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.385 -3.603 10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.811 -1.709 10.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.628 -1.244 9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.329 -1.516 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.698 -4.014 11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.250 -3.916 9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.158 -5.227 9.832 1.00 0.00 H new ATOM 375 N GLY A 28 -2.705 -1.950 6.679 1.00 0.00 N ATOM 376 CA GLY A 28 -1.654 -1.037 6.269 1.00 0.00 C ATOM 377 C GLY A 28 -1.961 0.401 6.634 1.00 0.00 C ATOM 378 O GLY A 28 -3.034 0.915 6.315 1.00 0.00 O ATOM 0 H GLY A 28 -3.472 -2.047 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.715 -1.335 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.511 -1.113 5.191 1.00 0.00 H new ATOM 382 N HIS A 29 -1.018 1.054 7.305 1.00 0.00 N ATOM 383 CA HIS A 29 -1.193 2.443 7.715 1.00 0.00 C ATOM 384 C HIS A 29 -0.185 3.348 7.012 1.00 0.00 C ATOM 385 O HIS A 29 0.829 2.880 6.495 1.00 0.00 O ATOM 386 CB HIS A 29 -1.042 2.573 9.231 1.00 0.00 C ATOM 387 CG HIS A 29 -2.187 1.987 9.998 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.542 2.410 11.262 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.061 1.005 9.674 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.582 1.714 11.682 1.00 0.00 C ATOM 391 NE2 HIS A 29 -3.917 0.854 10.736 1.00 0.00 N ATOM 0 H HIS A 29 -0.125 0.644 7.577 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.197 2.756 7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.119 2.082 9.540 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.944 3.627 9.489 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.074 3.146 11.790 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.081 0.445 8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.075 1.828 12.636 1.00 0.00 H new ATOM 399 N TRP A 30 -0.472 4.645 6.998 1.00 0.00 N ATOM 400 CA TRP A 30 0.410 5.615 6.358 1.00 0.00 C ATOM 401 C TRP A 30 0.094 7.030 6.830 1.00 0.00 C ATOM 402 O TRP A 30 -0.745 7.230 7.707 1.00 0.00 O ATOM 403 CB TRP A 30 0.277 5.529 4.837 1.00 0.00 C ATOM 404 CG TRP A 30 -1.133 5.681 4.354 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.766 6.846 4.025 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.086 4.632 4.148 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.055 6.584 3.627 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.276 5.234 3.692 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.049 3.244 4.302 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.416 4.493 3.392 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.182 2.511 4.003 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.352 3.136 3.552 1.00 0.00 C ATOM 0 H TRP A 30 -1.307 5.049 7.422 1.00 0.00 H new ATOM 0 HA TRP A 30 1.436 5.379 6.639 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.895 6.303 4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.668 4.569 4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.319 7.828 4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.737 7.282 3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.152 2.753 4.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.319 4.973 3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.165 1.437 4.119 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.220 2.535 3.326 1.00 0.00 H new ATOM 423 N ALA A 31 0.772 8.010 6.241 1.00 0.00 N ATOM 424 CA ALA A 31 0.562 9.407 6.600 1.00 0.00 C ATOM 425 C ALA A 31 0.183 10.237 5.378 1.00 0.00 C ATOM 426 O ALA A 31 0.372 9.824 4.234 1.00 0.00 O ATOM 427 CB ALA A 31 1.810 9.976 7.260 1.00 0.00 C ATOM 0 H ALA A 31 1.471 7.862 5.513 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.264 9.454 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.639 11.020 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.036 9.407 8.162 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.650 9.909 6.569 1.00 0.00 H new ATOM 433 N PRO A 32 -0.367 11.435 5.623 1.00 0.00 N ATOM 434 CA PRO A 32 -0.785 12.348 4.554 1.00 0.00 C ATOM 435 C PRO A 32 0.401 12.937 3.799 1.00 0.00 C ATOM 436 O PRO A 32 1.466 13.186 4.363 1.00 0.00 O ATOM 437 CB PRO A 32 -1.542 13.448 5.303 1.00 0.00 C ATOM 438 CG PRO A 32 -0.976 13.427 6.681 1.00 0.00 C ATOM 439 CD PRO A 32 -0.623 11.992 6.962 1.00 0.00 C ATOM 0 HA PRO A 32 -1.382 11.842 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.398 14.420 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.615 13.254 5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.096 14.066 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.700 13.800 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.254 11.912 7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.436 11.469 7.466 1.00 0.00 H new ATOM 447 N PRO A 33 0.215 13.167 2.490 1.00 0.00 N ATOM 448 CA PRO A 33 1.259 13.731 1.629 1.00 0.00 C ATOM 449 C PRO A 33 1.543 15.195 1.946 1.00 0.00 C ATOM 450 O PRO A 33 0.624 15.973 2.205 1.00 0.00 O ATOM 451 CB PRO A 33 0.671 13.592 0.223 1.00 0.00 C ATOM 452 CG PRO A 33 -0.804 13.573 0.428 1.00 0.00 C ATOM 453 CD PRO A 33 -1.029 12.894 1.751 1.00 0.00 C ATOM 0 HA PRO A 33 2.214 13.222 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.971 14.423 -0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.015 12.678 -0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.210 14.584 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.303 13.034 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.900 13.298 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.198 11.824 1.630 1.00 0.00 H new ATOM 461 N ILE A 34 2.819 15.564 1.924 1.00 0.00 N ATOM 462 CA ILE A 34 3.223 16.936 2.207 1.00 0.00 C ATOM 463 C ILE A 34 2.472 17.924 1.320 1.00 0.00 C ATOM 464 O ILE A 34 1.905 18.903 1.805 1.00 0.00 O ATOM 465 CB ILE A 34 4.737 17.130 2.005 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.520 16.170 2.903 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.129 18.572 2.293 1.00 0.00 C ATOM 468 CD1 ILE A 34 7.002 16.134 2.602 1.00 0.00 C ATOM 0 H ILE A 34 3.591 14.932 1.713 1.00 0.00 H new ATOM 0 HA ILE A 34 2.977 17.129 3.251 1.00 0.00 H new ATOM 0 HB ILE A 34 4.982 16.908 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.376 16.460 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.110 15.166 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.202 18.694 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.592 19.237 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.874 18.820 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.493 15.433 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.156 15.815 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.426 17.129 2.741 1.00 0.00 H new ATOM 480 N HIS A 35 2.471 17.659 0.017 1.00 0.00 N ATOM 481 CA HIS A 35 1.788 18.524 -0.938 1.00 0.00 C ATOM 482 C HIS A 35 1.298 17.724 -2.141 1.00 0.00 C ATOM 483 O HIS A 35 2.037 16.919 -2.709 1.00 0.00 O ATOM 484 CB HIS A 35 2.720 19.644 -1.401 1.00 0.00 C ATOM 485 CG HIS A 35 1.999 20.883 -1.832 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.385 21.008 -3.061 1.00 0.00 N ATOM 487 CD2 HIS A 35 1.794 22.057 -1.190 1.00 0.00 C ATOM 488 CE1 HIS A 35 0.835 22.206 -3.156 1.00 0.00 C ATOM 489 NE2 HIS A 35 1.068 22.862 -2.034 1.00 0.00 N ATOM 0 H HIS A 35 2.935 16.853 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 35 0.924 18.964 -0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.404 19.895 -0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.328 19.280 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.137 22.313 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.288 22.584 -4.007 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.759 23.812 -1.827 1.00 0.00 H new ATOM 497 N THR A 36 0.045 17.949 -2.525 1.00 0.00 N ATOM 498 CA THR A 36 -0.545 17.248 -3.658 1.00 0.00 C ATOM 499 C THR A 36 -1.030 18.230 -4.719 1.00 0.00 C ATOM 500 O THR A 36 -1.232 19.412 -4.440 1.00 0.00 O ATOM 501 CB THR A 36 -1.725 16.361 -3.218 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.728 17.160 -2.580 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.256 15.271 -2.265 1.00 0.00 C ATOM 0 H THR A 36 -0.581 18.612 -2.067 1.00 0.00 H new ATOM 0 HA THR A 36 0.236 16.616 -4.081 1.00 0.00 H new ATOM 0 HB THR A 36 -2.147 15.890 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.537 17.172 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.106 14.657 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.514 14.647 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.811 15.727 -1.381 1.00 0.00 H new ATOM 511 N HIS A 37 -1.217 17.732 -5.938 1.00 0.00 N ATOM 512 CA HIS A 37 -1.680 18.566 -7.041 1.00 0.00 C ATOM 513 C HIS A 37 -2.991 19.260 -6.684 1.00 0.00 C ATOM 514 O HIS A 37 -3.134 20.469 -6.863 1.00 0.00 O ATOM 515 CB HIS A 37 -1.863 17.723 -8.303 1.00 0.00 C ATOM 516 CG HIS A 37 -1.700 18.501 -9.572 1.00 0.00 C ATOM 517 ND1 HIS A 37 -2.765 19.017 -10.280 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.588 18.851 -10.259 1.00 0.00 C ATOM 519 CE1 HIS A 37 -2.314 19.650 -11.349 1.00 0.00 C ATOM 520 NE2 HIS A 37 -0.996 19.564 -11.359 1.00 0.00 N ATOM 0 H HIS A 37 -1.055 16.756 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.925 19.329 -7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.141 16.906 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.855 17.272 -8.288 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.431 18.614 -9.992 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.920 20.152 -12.089 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.381 19.963 -12.069 1.00 0.00 H new ATOM 528 N GLY A 38 -3.947 18.486 -6.178 1.00 0.00 N ATOM 529 CA GLY A 38 -5.233 19.044 -5.805 1.00 0.00 C ATOM 530 C GLY A 38 -5.864 18.316 -4.635 1.00 0.00 C ATOM 531 O GLY A 38 -5.336 17.307 -4.164 1.00 0.00 O ATOM 0 H GLY A 38 -3.853 17.483 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.109 20.096 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.906 19.001 -6.661 1.00 0.00 H new ATOM 535 N LEU A 39 -6.995 18.828 -4.162 1.00 0.00 N ATOM 536 CA LEU A 39 -7.698 18.220 -3.037 1.00 0.00 C ATOM 537 C LEU A 39 -7.677 16.698 -3.140 1.00 0.00 C ATOM 538 O LEU A 39 -7.921 16.135 -4.207 1.00 0.00 O ATOM 539 CB LEU A 39 -9.143 18.718 -2.984 1.00 0.00 C ATOM 540 CG LEU A 39 -10.068 17.992 -2.007 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.578 18.166 -0.578 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.496 18.499 -2.148 1.00 0.00 C ATOM 0 H LEU A 39 -7.445 19.662 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.185 18.511 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.132 19.777 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.570 18.640 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.055 16.929 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.249 17.642 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.573 17.754 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.560 19.226 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.141 17.971 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.525 19.568 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.846 18.322 -3.165 1.00 0.00 H new ATOM 554 N ILE A 40 -7.385 16.039 -2.024 1.00 0.00 N ATOM 555 CA ILE A 40 -7.335 14.583 -1.988 1.00 0.00 C ATOM 556 C ILE A 40 -8.710 13.993 -1.693 1.00 0.00 C ATOM 557 O ILE A 40 -9.289 14.240 -0.635 1.00 0.00 O ATOM 558 CB ILE A 40 -6.335 14.079 -0.930 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.932 14.610 -1.229 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.334 12.559 -0.883 1.00 0.00 C ATOM 561 CD1 ILE A 40 -3.953 14.403 -0.095 1.00 0.00 C ATOM 0 H ILE A 40 -7.179 16.490 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.005 14.255 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.643 14.452 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.549 14.118 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.996 15.675 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.622 12.219 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.332 12.202 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.047 12.165 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.979 14.804 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.313 14.918 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.860 13.338 0.115 1.00 0.00 H new ATOM 573 N ARG A 41 -9.226 13.210 -2.635 1.00 0.00 N ATOM 574 CA ARG A 41 -10.533 12.584 -2.477 1.00 0.00 C ATOM 575 C ARG A 41 -10.436 11.337 -1.602 1.00 0.00 C ATOM 576 O ARG A 41 -11.238 11.145 -0.688 1.00 0.00 O ATOM 577 CB ARG A 41 -11.116 12.217 -3.843 1.00 0.00 C ATOM 578 CG ARG A 41 -11.167 13.384 -4.816 1.00 0.00 C ATOM 579 CD ARG A 41 -12.159 13.129 -5.939 1.00 0.00 C ATOM 580 NE ARG A 41 -13.532 13.042 -5.448 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.503 12.404 -6.090 1.00 0.00 C ATOM 582 NH1 ARG A 41 -14.255 11.800 -7.244 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.727 12.369 -5.579 1.00 0.00 N ATOM 0 H ARG A 41 -8.759 12.994 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.194 13.300 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.520 11.416 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.124 11.825 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.446 14.292 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.175 13.553 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.087 13.930 -6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.897 12.202 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.757 13.497 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.316 11.825 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.003 11.311 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.923 12.833 -4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.472 11.878 -6.073 1.00 0.00 H new ATOM 597 N GLU A 42 -9.449 10.494 -1.889 1.00 0.00 N ATOM 598 CA GLU A 42 -9.250 9.266 -1.129 1.00 0.00 C ATOM 599 C GLU A 42 -7.872 8.672 -1.408 1.00 0.00 C ATOM 600 O GLU A 42 -7.092 9.222 -2.186 1.00 0.00 O ATOM 601 CB GLU A 42 -10.336 8.245 -1.473 1.00 0.00 C ATOM 602 CG GLU A 42 -10.588 8.103 -2.965 1.00 0.00 C ATOM 603 CD GLU A 42 -11.983 7.596 -3.275 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.630 7.042 -2.361 1.00 0.00 O ATOM 605 OE2 GLU A 42 -12.429 7.753 -4.431 1.00 0.00 O ATOM 0 H GLU A 42 -8.776 10.639 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.314 9.511 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.052 7.274 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.265 8.536 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.441 9.069 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.854 7.419 -3.390 1.00 0.00 H new ATOM 612 N TYR A 43 -7.579 7.546 -0.766 1.00 0.00 N ATOM 613 CA TYR A 43 -6.294 6.879 -0.942 1.00 0.00 C ATOM 614 C TYR A 43 -6.489 5.426 -1.364 1.00 0.00 C ATOM 615 O TYR A 43 -7.089 4.632 -0.639 1.00 0.00 O ATOM 616 CB TYR A 43 -5.483 6.940 0.353 1.00 0.00 C ATOM 617 CG TYR A 43 -5.332 8.339 0.908 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.304 9.170 0.482 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.220 8.830 1.857 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.162 10.448 0.986 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.088 10.108 2.366 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.057 10.912 1.928 1.00 0.00 C ATOM 623 OH TYR A 43 -4.920 12.186 2.432 1.00 0.00 O ATOM 0 H TYR A 43 -8.213 7.077 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.748 7.398 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.963 6.311 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.493 6.521 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.603 8.810 -0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.028 8.202 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.356 11.080 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.788 10.475 3.102 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.631 12.358 3.084 1.00 0.00 H new ATOM 633 N ILE A 44 -5.977 5.086 -2.542 1.00 0.00 N ATOM 634 CA ILE A 44 -6.092 3.729 -3.062 1.00 0.00 C ATOM 635 C ILE A 44 -4.952 2.849 -2.558 1.00 0.00 C ATOM 636 O ILE A 44 -3.790 3.255 -2.566 1.00 0.00 O ATOM 637 CB ILE A 44 -6.095 3.714 -4.602 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.854 2.490 -5.120 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.670 3.725 -5.134 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.909 2.408 -6.629 1.00 0.00 C ATOM 0 H ILE A 44 -5.478 5.732 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.041 3.332 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.602 4.610 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.381 1.588 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.871 2.510 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.688 3.714 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.160 4.624 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.139 2.845 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.462 1.516 -6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.409 3.293 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.896 2.356 -7.028 1.00 0.00 H new ATOM 652 N VAL A 45 -5.293 1.640 -2.122 1.00 0.00 N ATOM 653 CA VAL A 45 -4.299 0.701 -1.618 1.00 0.00 C ATOM 654 C VAL A 45 -4.302 -0.590 -2.429 1.00 0.00 C ATOM 655 O VAL A 45 -5.314 -1.286 -2.502 1.00 0.00 O ATOM 656 CB VAL A 45 -4.546 0.364 -0.136 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.486 1.623 0.716 1.00 0.00 C ATOM 658 CG2 VAL A 45 -5.884 -0.341 0.034 1.00 0.00 C ATOM 0 H VAL A 45 -6.250 1.288 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.328 1.186 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.759 -0.311 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.663 1.365 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.502 2.082 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.250 2.325 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.042 -0.572 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.685 0.308 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.884 -1.265 -0.544 1.00 0.00 H new ATOM 668 N GLU A 46 -3.161 -0.904 -3.036 1.00 0.00 N ATOM 669 CA GLU A 46 -3.033 -2.112 -3.842 1.00 0.00 C ATOM 670 C GLU A 46 -2.202 -3.166 -3.115 1.00 0.00 C ATOM 671 O GLU A 46 -1.259 -2.839 -2.394 1.00 0.00 O ATOM 672 CB GLU A 46 -2.393 -1.785 -5.193 1.00 0.00 C ATOM 673 CG GLU A 46 -3.403 -1.488 -6.289 1.00 0.00 C ATOM 674 CD GLU A 46 -3.794 -2.726 -7.073 1.00 0.00 C ATOM 675 OE1 GLU A 46 -3.963 -3.795 -6.448 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.931 -2.627 -8.310 1.00 0.00 O ATOM 0 H GLU A 46 -2.313 -0.339 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.032 -2.514 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.734 -0.925 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.769 -2.624 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.295 -1.046 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.986 -0.747 -6.971 1.00 0.00 H new ATOM 683 N TYR A 47 -2.560 -4.430 -3.309 1.00 0.00 N ATOM 684 CA TYR A 47 -1.850 -5.532 -2.670 1.00 0.00 C ATOM 685 C TYR A 47 -1.767 -6.738 -3.600 1.00 0.00 C ATOM 686 O TYR A 47 -2.657 -6.968 -4.419 1.00 0.00 O ATOM 687 CB TYR A 47 -2.546 -5.926 -1.366 1.00 0.00 C ATOM 688 CG TYR A 47 -4.035 -6.139 -1.515 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.905 -5.060 -1.613 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.573 -7.420 -1.557 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.266 -5.250 -1.748 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.933 -7.619 -1.693 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.776 -6.531 -1.788 1.00 0.00 C ATOM 694 OH TYR A 47 -8.131 -6.725 -1.923 1.00 0.00 O ATOM 0 H TYR A 47 -3.337 -4.717 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.837 -5.198 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.093 -6.841 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.371 -5.149 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.510 -4.055 -1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.916 -8.274 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.928 -4.400 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.334 -8.621 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.324 -7.686 -1.935 1.00 0.00 H new ATOM 704 N SER A 48 -0.691 -7.507 -3.467 1.00 0.00 N ATOM 705 CA SER A 48 -0.488 -8.689 -4.297 1.00 0.00 C ATOM 706 C SER A 48 0.513 -9.641 -3.650 1.00 0.00 C ATOM 707 O SER A 48 1.641 -9.257 -3.341 1.00 0.00 O ATOM 708 CB SER A 48 0.002 -8.283 -5.688 1.00 0.00 C ATOM 709 OG SER A 48 0.369 -9.420 -6.451 1.00 0.00 O ATOM 0 H SER A 48 0.054 -7.333 -2.792 1.00 0.00 H new ATOM 0 HA SER A 48 -1.444 -9.205 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.782 -7.731 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.856 -7.612 -5.595 1.00 0.00 H new ATOM 0 HG SER A 48 1.308 -9.344 -6.721 1.00 0.00 H new ATOM 715 N ARG A 49 0.092 -10.886 -3.449 1.00 0.00 N ATOM 716 CA ARG A 49 0.950 -11.894 -2.838 1.00 0.00 C ATOM 717 C ARG A 49 2.287 -11.983 -3.568 1.00 0.00 C ATOM 718 O ARG A 49 2.331 -12.096 -4.793 1.00 0.00 O ATOM 719 CB ARG A 49 0.258 -13.258 -2.849 1.00 0.00 C ATOM 720 CG ARG A 49 0.834 -14.241 -1.843 1.00 0.00 C ATOM 721 CD ARG A 49 0.103 -15.574 -1.886 1.00 0.00 C ATOM 722 NE ARG A 49 -1.334 -15.404 -2.081 1.00 0.00 N ATOM 723 CZ ARG A 49 -1.906 -15.291 -3.275 1.00 0.00 C ATOM 724 NH1 ARG A 49 -1.166 -15.331 -4.374 1.00 0.00 N ATOM 725 NH2 ARG A 49 -3.221 -15.140 -3.371 1.00 0.00 N ATOM 0 H ARG A 49 -0.838 -11.220 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 49 1.138 -11.599 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.803 -13.119 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.335 -13.687 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.892 -14.398 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.766 -13.819 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.509 -16.184 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.281 -16.115 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.932 -15.370 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.155 -15.449 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.607 -15.244 -5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.794 -15.111 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.659 -15.053 -4.288 1.00 0.00 H new ATOM 739 N SER A 50 3.375 -11.932 -2.807 1.00 0.00 N ATOM 740 CA SER A 50 4.714 -12.003 -3.381 1.00 0.00 C ATOM 741 C SER A 50 4.753 -12.985 -4.548 1.00 0.00 C ATOM 742 O SER A 50 5.537 -12.824 -5.482 1.00 0.00 O ATOM 743 CB SER A 50 5.728 -12.421 -2.314 1.00 0.00 C ATOM 744 OG SER A 50 7.053 -12.144 -2.733 1.00 0.00 O ATOM 0 H SER A 50 3.356 -11.842 -1.791 1.00 0.00 H new ATOM 0 HA SER A 50 4.976 -11.013 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.520 -11.893 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.624 -13.486 -2.106 1.00 0.00 H new ATOM 0 HG SER A 50 7.682 -12.419 -2.033 1.00 0.00 H new ATOM 750 N GLY A 51 3.899 -14.002 -4.486 1.00 0.00 N ATOM 751 CA GLY A 51 3.851 -14.996 -5.543 1.00 0.00 C ATOM 752 C GLY A 51 2.579 -14.910 -6.363 1.00 0.00 C ATOM 753 O GLY A 51 1.820 -15.875 -6.447 1.00 0.00 O ATOM 0 H GLY A 51 3.240 -14.156 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.712 -14.866 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.931 -15.991 -5.105 1.00 0.00 H new ATOM 757 N SER A 52 2.343 -13.750 -6.967 1.00 0.00 N ATOM 758 CA SER A 52 1.151 -13.539 -7.779 1.00 0.00 C ATOM 759 C SER A 52 1.192 -12.176 -8.463 1.00 0.00 C ATOM 760 O SER A 52 1.590 -11.178 -7.861 1.00 0.00 O ATOM 761 CB SER A 52 -0.107 -13.651 -6.915 1.00 0.00 C ATOM 762 OG SER A 52 -0.568 -14.990 -6.856 1.00 0.00 O ATOM 0 H SER A 52 2.962 -12.941 -6.909 1.00 0.00 H new ATOM 0 HA SER A 52 1.125 -14.311 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.106 -13.292 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.890 -13.011 -7.322 1.00 0.00 H new ATOM 0 HG SER A 52 0.188 -15.589 -6.683 1.00 0.00 H new ATOM 768 N LYS A 53 0.779 -12.141 -9.725 1.00 0.00 N ATOM 769 CA LYS A 53 0.766 -10.901 -10.492 1.00 0.00 C ATOM 770 C LYS A 53 -0.597 -10.223 -10.408 1.00 0.00 C ATOM 771 O LYS A 53 -0.858 -9.245 -11.109 1.00 0.00 O ATOM 772 CB LYS A 53 1.120 -11.179 -11.955 1.00 0.00 C ATOM 773 CG LYS A 53 2.547 -11.659 -12.155 1.00 0.00 C ATOM 774 CD LYS A 53 2.651 -13.169 -12.032 1.00 0.00 C ATOM 775 CE LYS A 53 4.047 -13.663 -12.380 1.00 0.00 C ATOM 776 NZ LYS A 53 4.178 -15.134 -12.192 1.00 0.00 N ATOM 0 H LYS A 53 0.449 -12.958 -10.239 1.00 0.00 H new ATOM 0 HA LYS A 53 1.512 -10.231 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.435 -11.929 -12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.967 -10.270 -12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.902 -11.348 -13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.197 -11.188 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.401 -13.470 -11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.922 -13.640 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.275 -13.407 -13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.779 -13.151 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.143 -15.431 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.985 -15.376 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.497 -15.624 -12.806 1.00 0.00 H new ATOM 790 N MET A 54 -1.462 -10.747 -9.546 1.00 0.00 N ATOM 791 CA MET A 54 -2.798 -10.189 -9.370 1.00 0.00 C ATOM 792 C MET A 54 -2.807 -9.142 -8.260 1.00 0.00 C ATOM 793 O MET A 54 -2.657 -9.471 -7.083 1.00 0.00 O ATOM 794 CB MET A 54 -3.799 -11.300 -9.047 1.00 0.00 C ATOM 795 CG MET A 54 -3.698 -11.814 -7.620 1.00 0.00 C ATOM 796 SD MET A 54 -4.184 -13.544 -7.468 1.00 0.00 S ATOM 797 CE MET A 54 -5.679 -13.391 -6.494 1.00 0.00 C ATOM 0 H MET A 54 -1.262 -11.557 -8.959 1.00 0.00 H new ATOM 0 HA MET A 54 -3.090 -9.707 -10.303 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.809 -10.929 -9.220 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.642 -12.130 -9.735 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.673 -11.696 -7.267 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.330 -11.205 -6.973 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.100 -14.381 -6.315 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.445 -12.919 -5.540 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.404 -12.781 -7.033 1.00 0.00 H new ATOM 807 N TRP A 55 -2.985 -7.883 -8.643 1.00 0.00 N ATOM 808 CA TRP A 55 -3.013 -6.789 -7.679 1.00 0.00 C ATOM 809 C TRP A 55 -4.421 -6.219 -7.544 1.00 0.00 C ATOM 810 O TRP A 55 -5.020 -5.780 -8.526 1.00 0.00 O ATOM 811 CB TRP A 55 -2.042 -5.685 -8.101 1.00 0.00 C ATOM 812 CG TRP A 55 -0.609 -6.126 -8.108 1.00 0.00 C ATOM 813 CD1 TRP A 55 0.004 -6.906 -9.046 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.388 -5.813 -7.130 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.322 -7.097 -8.710 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.583 -6.436 -7.539 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.389 -5.066 -5.949 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.764 -6.335 -6.808 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.561 -4.966 -5.224 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.735 -5.597 -5.656 1.00 0.00 C ATOM 0 H TRP A 55 -3.112 -7.594 -9.613 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.706 -7.183 -6.710 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.312 -5.335 -9.097 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.151 -4.837 -7.425 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.477 -7.313 -9.923 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.997 -7.643 -9.246 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.511 -4.575 -5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.670 -6.821 -7.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.572 -4.392 -4.309 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.635 -5.499 -5.068 1.00 0.00 H new ATOM 831 N ALA A 56 -4.944 -6.229 -6.322 1.00 0.00 N ATOM 832 CA ALA A 56 -6.281 -5.711 -6.060 1.00 0.00 C ATOM 833 C ALA A 56 -6.218 -4.341 -5.392 1.00 0.00 C ATOM 834 O ALA A 56 -5.547 -4.167 -4.374 1.00 0.00 O ATOM 835 CB ALA A 56 -7.064 -6.687 -5.194 1.00 0.00 C ATOM 0 H ALA A 56 -4.462 -6.590 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.794 -5.597 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.061 -6.288 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.148 -7.644 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.545 -6.829 -4.246 1.00 0.00 H new ATOM 841 N SER A 57 -6.919 -3.372 -5.971 1.00 0.00 N ATOM 842 CA SER A 57 -6.938 -2.017 -5.434 1.00 0.00 C ATOM 843 C SER A 57 -8.282 -1.711 -4.779 1.00 0.00 C ATOM 844 O SER A 57 -9.314 -2.255 -5.172 1.00 0.00 O ATOM 845 CB SER A 57 -6.657 -1.002 -6.544 1.00 0.00 C ATOM 846 OG SER A 57 -7.829 -0.725 -7.291 1.00 0.00 O ATOM 0 H SER A 57 -7.481 -3.500 -6.812 1.00 0.00 H new ATOM 0 HA SER A 57 -6.158 -1.942 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.273 -0.079 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.883 -1.388 -7.207 1.00 0.00 H new ATOM 0 HG SER A 57 -7.587 -0.257 -8.117 1.00 0.00 H new ATOM 852 N GLN A 58 -8.259 -0.838 -3.777 1.00 0.00 N ATOM 853 CA GLN A 58 -9.475 -0.461 -3.066 1.00 0.00 C ATOM 854 C GLN A 58 -9.369 0.960 -2.522 1.00 0.00 C ATOM 855 O GLN A 58 -8.276 1.440 -2.222 1.00 0.00 O ATOM 856 CB GLN A 58 -9.746 -1.438 -1.921 1.00 0.00 C ATOM 857 CG GLN A 58 -8.673 -1.427 -0.844 1.00 0.00 C ATOM 858 CD GLN A 58 -9.023 -2.308 0.339 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.194 -2.459 0.689 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.008 -2.895 0.962 1.00 0.00 N ATOM 0 H GLN A 58 -7.413 -0.379 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.305 -0.500 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.707 -1.195 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.831 -2.446 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.729 -1.761 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.521 -0.404 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.053 -2.742 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.183 -3.499 1.765 1.00 0.00 H new ATOM 869 N ARG A 59 -10.511 1.628 -2.400 1.00 0.00 N ATOM 870 CA ARG A 59 -10.546 2.995 -1.894 1.00 0.00 C ATOM 871 C ARG A 59 -10.511 3.012 -0.369 1.00 0.00 C ATOM 872 O ARG A 59 -11.140 2.181 0.286 1.00 0.00 O ATOM 873 CB ARG A 59 -11.801 3.714 -2.393 1.00 0.00 C ATOM 874 CG ARG A 59 -11.659 4.285 -3.795 1.00 0.00 C ATOM 875 CD ARG A 59 -10.959 3.307 -4.726 1.00 0.00 C ATOM 876 NE ARG A 59 -10.749 3.873 -6.056 1.00 0.00 N ATOM 877 CZ ARG A 59 -10.441 3.145 -7.124 1.00 0.00 C ATOM 878 NH1 ARG A 59 -10.309 1.830 -7.019 1.00 0.00 N ATOM 879 NH2 ARG A 59 -10.266 3.733 -8.301 1.00 0.00 N ATOM 0 H ARG A 59 -11.424 1.245 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.664 3.516 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.639 3.017 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.045 4.522 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.645 4.526 -4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.096 5.217 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.998 3.023 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.553 2.397 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.844 4.882 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.444 1.374 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.073 1.274 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.368 4.744 -8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.030 3.174 -9.120 1.00 0.00 H new ATOM 893 N ALA A 60 -9.770 3.963 0.190 1.00 0.00 N ATOM 894 CA ALA A 60 -9.654 4.089 1.638 1.00 0.00 C ATOM 895 C ALA A 60 -9.979 5.507 2.094 1.00 0.00 C ATOM 896 O ALA A 60 -9.379 6.473 1.625 1.00 0.00 O ATOM 897 CB ALA A 60 -8.256 3.695 2.091 1.00 0.00 C ATOM 0 H ALA A 60 -9.241 4.657 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.377 3.414 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.183 3.794 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.059 2.661 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.523 4.347 1.617 1.00 0.00 H new ATOM 903 N ALA A 61 -10.935 5.625 3.010 1.00 0.00 N ATOM 904 CA ALA A 61 -11.339 6.925 3.530 1.00 0.00 C ATOM 905 C ALA A 61 -10.265 7.510 4.441 1.00 0.00 C ATOM 906 O ALA A 61 -9.805 8.633 4.233 1.00 0.00 O ATOM 907 CB ALA A 61 -12.660 6.808 4.276 1.00 0.00 C ATOM 0 H ALA A 61 -11.444 4.835 3.407 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.470 7.601 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.950 7.787 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.430 6.442 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.548 6.112 5.107 1.00 0.00 H new ATOM 913 N SER A 62 -9.869 6.742 5.451 1.00 0.00 N ATOM 914 CA SER A 62 -8.852 7.187 6.396 1.00 0.00 C ATOM 915 C SER A 62 -7.451 6.939 5.843 1.00 0.00 C ATOM 916 O SER A 62 -7.289 6.513 4.701 1.00 0.00 O ATOM 917 CB SER A 62 -9.019 6.465 7.735 1.00 0.00 C ATOM 918 OG SER A 62 -9.939 7.146 8.570 1.00 0.00 O ATOM 0 H SER A 62 -10.237 5.809 5.636 1.00 0.00 H new ATOM 0 HA SER A 62 -8.979 8.259 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.366 5.446 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.053 6.392 8.236 1.00 0.00 H new ATOM 0 HG SER A 62 -10.029 6.664 9.418 1.00 0.00 H new ATOM 924 N ASN A 63 -6.442 7.210 6.665 1.00 0.00 N ATOM 925 CA ASN A 63 -5.054 7.018 6.259 1.00 0.00 C ATOM 926 C ASN A 63 -4.621 5.570 6.471 1.00 0.00 C ATOM 927 O ASN A 63 -3.455 5.295 6.755 1.00 0.00 O ATOM 928 CB ASN A 63 -4.136 7.957 7.044 1.00 0.00 C ATOM 929 CG ASN A 63 -4.157 9.373 6.502 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.198 9.869 6.071 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.003 10.030 6.521 1.00 0.00 N ATOM 0 H ASN A 63 -6.559 7.563 7.615 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.977 7.250 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.440 7.967 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.116 7.574 7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.955 10.986 6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.165 9.579 6.888 1.00 0.00 H new ATOM 938 N PHE A 64 -5.568 4.648 6.331 1.00 0.00 N ATOM 939 CA PHE A 64 -5.285 3.229 6.508 1.00 0.00 C ATOM 940 C PHE A 64 -6.305 2.374 5.762 1.00 0.00 C ATOM 941 O PHE A 64 -7.210 2.894 5.107 1.00 0.00 O ATOM 942 CB PHE A 64 -5.290 2.867 7.994 1.00 0.00 C ATOM 943 CG PHE A 64 -6.641 2.461 8.508 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.766 3.211 8.206 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.786 1.329 9.294 1.00 0.00 C ATOM 946 CE1 PHE A 64 -9.011 2.840 8.677 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.029 0.952 9.767 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.143 1.709 9.460 1.00 0.00 C ATOM 0 H PHE A 64 -6.538 4.858 6.096 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.296 3.028 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.586 2.052 8.164 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.933 3.722 8.569 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.669 4.096 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.918 0.735 9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.880 3.433 8.433 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.129 0.066 10.376 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.115 1.418 9.831 1.00 0.00 H new ATOM 958 N THR A 65 -6.153 1.057 5.864 1.00 0.00 N ATOM 959 CA THR A 65 -7.059 0.129 5.199 1.00 0.00 C ATOM 960 C THR A 65 -6.921 -1.278 5.769 1.00 0.00 C ATOM 961 O THR A 65 -6.019 -1.550 6.561 1.00 0.00 O ATOM 962 CB THR A 65 -6.800 0.083 3.681 1.00 0.00 C ATOM 963 OG1 THR A 65 -7.903 -0.542 3.015 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.519 -0.676 3.373 1.00 0.00 C ATOM 0 H THR A 65 -5.410 0.609 6.401 1.00 0.00 H new ATOM 0 HA THR A 65 -8.071 0.492 5.377 1.00 0.00 H new ATOM 0 HB THR A 65 -6.692 1.106 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.993 -0.171 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.358 -0.695 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.677 -0.181 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.603 -1.697 3.745 1.00 0.00 H new ATOM 972 N GLU A 66 -7.820 -2.168 5.360 1.00 0.00 N ATOM 973 CA GLU A 66 -7.797 -3.547 5.832 1.00 0.00 C ATOM 974 C GLU A 66 -7.905 -4.523 4.664 1.00 0.00 C ATOM 975 O GLU A 66 -8.995 -4.771 4.147 1.00 0.00 O ATOM 976 CB GLU A 66 -8.939 -3.790 6.821 1.00 0.00 C ATOM 977 CG GLU A 66 -8.564 -3.506 8.266 1.00 0.00 C ATOM 978 CD GLU A 66 -9.759 -3.114 9.113 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.290 -2.002 8.909 1.00 0.00 O ATOM 980 OE2 GLU A 66 -10.162 -3.918 9.978 1.00 0.00 O ATOM 0 H GLU A 66 -8.572 -1.959 4.704 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.846 -3.715 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.787 -3.163 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.267 -4.826 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.093 -4.390 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.825 -2.706 8.295 1.00 0.00 H new ATOM 987 N ILE A 67 -6.767 -5.073 4.253 1.00 0.00 N ATOM 988 CA ILE A 67 -6.734 -6.022 3.148 1.00 0.00 C ATOM 989 C ILE A 67 -7.016 -7.441 3.631 1.00 0.00 C ATOM 990 O ILE A 67 -6.153 -8.090 4.223 1.00 0.00 O ATOM 991 CB ILE A 67 -5.373 -5.999 2.427 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.089 -4.602 1.871 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.346 -7.034 1.312 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.616 -4.268 1.798 1.00 0.00 C ATOM 0 H ILE A 67 -5.856 -4.877 4.669 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.513 -5.718 2.449 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.593 -6.249 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.521 -4.522 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.590 -3.863 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.378 -7.005 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.508 -8.026 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.133 -6.813 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.490 -3.263 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.182 -4.315 2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.112 -4.985 1.150 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.229 -7.917 3.374 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.626 -9.260 3.780 1.00 0.00 C ATOM 1008 C LYS A 68 -8.507 -10.238 2.615 1.00 0.00 C ATOM 1009 O LYS A 68 -8.036 -9.879 1.537 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.062 -9.252 4.309 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.410 -8.006 5.105 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.742 -8.156 5.821 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.772 -7.356 7.114 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.152 -6.920 7.465 1.00 0.00 N ATOM 0 H LYS A 68 -8.955 -7.392 2.886 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.955 -9.586 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.750 -9.340 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.213 -10.129 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.624 -7.808 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.450 -7.146 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.548 -7.823 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.923 -9.209 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.365 -7.961 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.129 -6.481 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.130 -6.378 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.531 -6.322 6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.760 -7.755 7.585 1.00 0.00 H new ATOM 1028 N ASN A 69 -8.939 -11.475 2.840 1.00 0.00 N ATOM 1029 CA ASN A 69 -8.882 -12.504 1.808 1.00 0.00 C ATOM 1030 C ASN A 69 -7.437 -12.827 1.441 1.00 0.00 C ATOM 1031 O ASN A 69 -7.083 -12.889 0.263 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.647 -12.050 0.563 1.00 0.00 C ATOM 1033 CG ASN A 69 -10.940 -11.335 0.907 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.980 -11.966 1.095 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -10.880 -10.011 0.990 1.00 0.00 N ATOM 0 H ASN A 69 -9.332 -11.789 3.727 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.348 -13.406 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.014 -11.387 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.869 -12.917 -0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.718 -9.476 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.996 -9.529 0.826 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.607 -13.032 2.457 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.199 -13.350 2.243 1.00 0.00 C ATOM 1044 C LEU A 70 -4.846 -14.700 2.858 1.00 0.00 C ATOM 1045 O LEU A 70 -5.661 -15.312 3.550 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.312 -12.256 2.841 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.667 -10.819 2.457 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -3.676 -9.843 3.071 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.704 -10.665 0.944 1.00 0.00 C ATOM 0 H LEU A 70 -6.884 -12.984 3.437 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.023 -13.404 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.348 -12.340 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.282 -12.447 2.541 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.659 -10.592 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.944 -8.825 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.700 -9.935 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.672 -10.068 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.958 -9.636 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.726 -10.911 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.454 -11.338 0.528 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.625 -15.159 2.603 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.162 -16.437 3.134 1.00 0.00 C ATOM 1063 C LEU A 71 -2.293 -16.230 4.370 1.00 0.00 C ATOM 1064 O LEU A 71 -1.249 -15.582 4.306 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.377 -17.200 2.066 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.138 -17.532 0.782 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.201 -18.135 -0.253 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.292 -18.480 1.076 1.00 0.00 C ATOM 0 H LEU A 71 -2.938 -14.666 2.032 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.036 -17.022 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.497 -16.613 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.019 -18.132 2.503 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.548 -16.607 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.760 -18.365 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.409 -17.423 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.761 -19.050 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.822 -18.705 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.904 -19.403 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.977 -18.011 1.782 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.731 -16.787 5.495 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.992 -16.667 6.746 1.00 0.00 C ATOM 1082 C VAL A 72 -0.573 -17.206 6.599 1.00 0.00 C ATOM 1083 O VAL A 72 -0.345 -18.206 5.920 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.699 -17.418 7.890 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -4.077 -16.827 8.145 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.796 -18.902 7.572 1.00 0.00 C ATOM 0 H VAL A 72 -3.594 -17.326 5.565 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.951 -15.605 6.989 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.107 -17.303 8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.561 -17.370 8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.977 -15.777 8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.681 -16.910 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.298 -19.417 8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.365 -19.041 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.795 -19.313 7.444 1.00 0.00 H new ATOM 1096 N ASN A 73 0.377 -16.536 7.242 1.00 0.00 N ATOM 1097 CA ASN A 73 1.775 -16.947 7.184 1.00 0.00 C ATOM 1098 C ASN A 73 2.308 -16.863 5.757 1.00 0.00 C ATOM 1099 O ASN A 73 2.970 -17.782 5.274 1.00 0.00 O ATOM 1100 CB ASN A 73 1.932 -18.373 7.715 1.00 0.00 C ATOM 1101 CG ASN A 73 2.071 -18.416 9.225 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.132 -18.110 9.770 1.00 0.00 O ATOM 1103 ND2 ASN A 73 0.998 -18.797 9.908 1.00 0.00 N ATOM 0 H ASN A 73 0.205 -15.706 7.809 1.00 0.00 H new ATOM 0 HA ASN A 73 2.353 -16.267 7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.068 -18.966 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.809 -18.833 7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.032 -18.845 10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.140 -19.042 9.414 1.00 0.00 H new ATOM 1110 N THR A 74 2.016 -15.753 5.086 1.00 0.00 N ATOM 1111 CA THR A 74 2.464 -15.548 3.715 1.00 0.00 C ATOM 1112 C THR A 74 2.870 -14.098 3.480 1.00 0.00 C ATOM 1113 O THR A 74 2.225 -13.173 3.976 1.00 0.00 O ATOM 1114 CB THR A 74 1.369 -15.933 2.702 1.00 0.00 C ATOM 1115 OG1 THR A 74 1.080 -17.332 2.801 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.803 -15.599 1.283 1.00 0.00 C ATOM 0 H THR A 74 1.471 -14.982 5.471 1.00 0.00 H new ATOM 0 HA THR A 74 3.330 -16.194 3.566 1.00 0.00 H new ATOM 0 HB THR A 74 0.472 -15.360 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.247 -17.459 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.014 -15.880 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.994 -14.529 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.713 -16.149 1.042 1.00 0.00 H new ATOM 1124 N LEU A 75 3.942 -13.904 2.720 1.00 0.00 N ATOM 1125 CA LEU A 75 4.434 -12.564 2.418 1.00 0.00 C ATOM 1126 C LEU A 75 3.481 -11.833 1.478 1.00 0.00 C ATOM 1127 O LEU A 75 3.189 -12.308 0.381 1.00 0.00 O ATOM 1128 CB LEU A 75 5.827 -12.641 1.791 1.00 0.00 C ATOM 1129 CG LEU A 75 6.657 -11.357 1.840 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.895 -10.205 1.201 1.00 0.00 C ATOM 1131 CD2 LEU A 75 7.033 -11.019 3.275 1.00 0.00 C ATOM 0 H LEU A 75 4.487 -14.658 2.301 1.00 0.00 H new ATOM 0 HA LEU A 75 4.493 -12.006 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.386 -13.431 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.718 -12.940 0.749 1.00 0.00 H new ATOM 0 HG LEU A 75 7.574 -11.518 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.500 -9.300 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.677 -10.446 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.961 -10.043 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.623 -10.103 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.127 -10.877 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.618 -11.835 3.700 1.00 0.00 H new ATOM 1143 N TYR A 76 3.000 -10.674 1.916 1.00 0.00 N ATOM 1144 CA TYR A 76 2.080 -9.877 1.115 1.00 0.00 C ATOM 1145 C TYR A 76 2.575 -8.440 0.985 1.00 0.00 C ATOM 1146 O TYR A 76 2.910 -7.793 1.978 1.00 0.00 O ATOM 1147 CB TYR A 76 0.683 -9.893 1.737 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.191 -11.021 1.237 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.145 -12.277 1.829 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -1.062 -10.830 0.171 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -0.941 -13.310 1.374 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.863 -11.858 -0.289 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.798 -13.096 0.315 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.593 -14.122 -0.140 1.00 0.00 O ATOM 0 H TYR A 76 3.233 -10.266 2.822 1.00 0.00 H new ATOM 0 HA TYR A 76 2.032 -10.317 0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.778 -9.971 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.191 -8.943 1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.524 -12.449 2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.114 -9.862 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.892 -14.281 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.536 -11.693 -1.117 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.138 -13.805 -0.890 1.00 0.00 H new ATOM 1164 N THR A 77 2.618 -7.944 -0.248 1.00 0.00 N ATOM 1165 CA THR A 77 3.072 -6.584 -0.510 1.00 0.00 C ATOM 1166 C THR A 77 1.894 -5.623 -0.618 1.00 0.00 C ATOM 1167 O THR A 77 0.912 -5.902 -1.307 1.00 0.00 O ATOM 1168 CB THR A 77 3.902 -6.509 -1.805 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.944 -7.491 -1.777 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.507 -5.124 -1.980 1.00 0.00 C ATOM 0 H THR A 77 2.344 -8.465 -1.081 1.00 0.00 H new ATOM 0 HA THR A 77 3.699 -6.292 0.332 1.00 0.00 H new ATOM 0 HB THR A 77 3.239 -6.708 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.466 -7.438 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.089 -5.095 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.710 -4.382 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.157 -4.901 -1.134 1.00 0.00 H new ATOM 1178 N VAL A 78 1.998 -4.488 0.066 1.00 0.00 N ATOM 1179 CA VAL A 78 0.941 -3.483 0.045 1.00 0.00 C ATOM 1180 C VAL A 78 1.491 -2.115 -0.340 1.00 0.00 C ATOM 1181 O VAL A 78 2.593 -1.741 0.064 1.00 0.00 O ATOM 1182 CB VAL A 78 0.241 -3.377 1.413 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.808 -2.275 1.392 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.382 -4.710 1.797 1.00 0.00 C ATOM 0 H VAL A 78 2.803 -4.241 0.641 1.00 0.00 H new ATOM 0 HA VAL A 78 0.215 -3.802 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 78 0.987 -3.121 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.292 -2.215 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.330 -1.322 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.554 -2.498 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.872 -4.617 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.117 -4.998 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.396 -5.472 1.855 1.00 0.00 H new ATOM 1194 N ARG A 79 0.717 -1.371 -1.123 1.00 0.00 N ATOM 1195 CA ARG A 79 1.128 -0.043 -1.563 1.00 0.00 C ATOM 1196 C ARG A 79 -0.054 0.923 -1.554 1.00 0.00 C ATOM 1197 O ARG A 79 -1.160 0.571 -1.965 1.00 0.00 O ATOM 1198 CB ARG A 79 1.732 -0.112 -2.967 1.00 0.00 C ATOM 1199 CG ARG A 79 0.948 -0.995 -3.925 1.00 0.00 C ATOM 1200 CD ARG A 79 1.716 -1.236 -5.215 1.00 0.00 C ATOM 1201 NE ARG A 79 0.823 -1.449 -6.351 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.249 -1.746 -7.574 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.547 -1.863 -7.818 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.375 -1.925 -8.556 1.00 0.00 N ATOM 0 H ARG A 79 -0.198 -1.665 -1.466 1.00 0.00 H new ATOM 0 HA ARG A 79 1.882 0.325 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.789 0.896 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.754 -0.485 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.730 -1.950 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.010 -0.527 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.363 -0.382 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.363 -2.105 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.182 -1.365 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.222 -1.725 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.871 -2.091 -8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.624 -1.835 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.702 -2.153 -9.495 1.00 0.00 H new ATOM 1218 N VAL A 80 0.188 2.141 -1.080 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.856 3.157 -1.016 1.00 0.00 C ATOM 1220 C VAL A 80 -0.536 4.331 -1.935 1.00 0.00 C ATOM 1221 O VAL A 80 0.623 4.719 -2.083 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.044 3.680 0.420 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.261 4.588 0.503 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.165 2.520 1.397 1.00 0.00 C ATOM 0 H VAL A 80 1.097 2.448 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.780 2.682 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.166 4.265 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.378 4.948 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.128 5.437 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.151 4.031 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.297 2.907 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.025 1.906 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.260 1.914 1.356 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.571 4.894 -2.550 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.401 6.026 -3.452 1.00 0.00 C ATOM 1236 C ALA A 81 -2.434 7.112 -3.172 1.00 0.00 C ATOM 1237 O ALA A 81 -3.588 6.819 -2.863 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.496 5.566 -4.899 1.00 0.00 C ATOM 0 H ALA A 81 -2.537 4.584 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.412 6.450 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.367 6.422 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.716 4.831 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.473 5.115 -5.074 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.010 8.367 -3.280 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.899 9.497 -3.039 1.00 0.00 C ATOM 1246 C ALA A 82 -3.679 9.860 -4.298 1.00 0.00 C ATOM 1247 O ALA A 82 -3.098 10.265 -5.305 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.105 10.696 -2.543 1.00 0.00 C ATOM 0 H ALA A 82 -1.057 8.627 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.616 9.207 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.781 11.533 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.598 10.437 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.366 10.978 -3.293 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.998 9.711 -4.234 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.858 10.024 -5.370 1.00 0.00 C ATOM 1256 C VAL A 83 -6.280 11.489 -5.352 1.00 0.00 C ATOM 1257 O VAL A 83 -6.526 12.064 -4.291 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.118 9.138 -5.380 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.247 9.823 -6.136 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.808 7.778 -5.986 1.00 0.00 C ATOM 0 H VAL A 83 -5.495 9.376 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.277 9.827 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.442 8.986 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.129 9.182 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.485 10.771 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.937 10.007 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.709 7.165 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.458 7.907 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.034 7.285 -5.398 1.00 0.00 H new ATOM 1270 N THR A 84 -6.363 12.089 -6.536 1.00 0.00 N ATOM 1271 CA THR A 84 -6.755 13.488 -6.657 1.00 0.00 C ATOM 1272 C THR A 84 -7.901 13.653 -7.648 1.00 0.00 C ATOM 1273 O THR A 84 -8.274 12.709 -8.344 1.00 0.00 O ATOM 1274 CB THR A 84 -5.571 14.365 -7.107 1.00 0.00 C ATOM 1275 OG1 THR A 84 -5.037 13.873 -8.341 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.479 14.386 -6.048 1.00 0.00 C ATOM 0 H THR A 84 -6.164 11.628 -7.424 1.00 0.00 H new ATOM 0 HA THR A 84 -7.083 13.812 -5.669 1.00 0.00 H new ATOM 0 HB THR A 84 -5.936 15.382 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.297 12.935 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.654 15.012 -6.389 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.881 14.790 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.119 13.372 -5.877 1.00 0.00 H new ATOM 1284 N SER A 85 -8.455 14.860 -7.708 1.00 0.00 N ATOM 1285 CA SER A 85 -9.562 15.148 -8.613 1.00 0.00 C ATOM 1286 C SER A 85 -9.384 14.417 -9.940 1.00 0.00 C ATOM 1287 O SER A 85 -10.298 13.745 -10.418 1.00 0.00 O ATOM 1288 CB SER A 85 -9.668 16.655 -8.859 1.00 0.00 C ATOM 1289 OG SER A 85 -10.837 16.970 -9.596 1.00 0.00 O ATOM 0 H SER A 85 -8.156 15.654 -7.141 1.00 0.00 H new ATOM 0 HA SER A 85 -10.482 14.797 -8.145 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.682 17.182 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.788 17.001 -9.401 1.00 0.00 H new ATOM 0 HG SER A 85 -10.883 17.938 -9.739 1.00 0.00 H new ATOM 1295 N ARG A 86 -8.200 14.552 -10.529 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.902 13.905 -11.801 1.00 0.00 C ATOM 1297 C ARG A 86 -7.882 12.387 -11.648 1.00 0.00 C ATOM 1298 O ARG A 86 -8.695 11.682 -12.245 1.00 0.00 O ATOM 1299 CB ARG A 86 -6.555 14.392 -12.341 1.00 0.00 C ATOM 1300 CG ARG A 86 -6.412 14.240 -13.846 1.00 0.00 C ATOM 1301 CD ARG A 86 -5.204 15.000 -14.370 1.00 0.00 C ATOM 1302 NE ARG A 86 -5.453 16.436 -14.452 1.00 0.00 N ATOM 1303 CZ ARG A 86 -6.296 16.988 -15.318 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -6.966 16.227 -16.172 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -6.469 18.303 -15.331 1.00 0.00 N ATOM 0 H ARG A 86 -7.432 15.103 -10.146 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.688 14.171 -12.508 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.425 15.441 -12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.755 13.838 -11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.317 13.184 -14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.314 14.605 -14.337 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.350 14.817 -13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.938 14.622 -15.357 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.952 17.049 -13.809 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.835 15.215 -16.165 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.613 16.653 -16.836 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.955 18.892 -14.676 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.116 18.726 -15.996 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.947 11.891 -10.844 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.838 10.460 -10.627 1.00 0.00 C ATOM 1321 C GLY A 87 -5.690 10.098 -9.706 1.00 0.00 C ATOM 1322 O GLY A 87 -5.127 10.965 -9.036 1.00 0.00 O ATOM 0 H GLY A 87 -6.263 12.454 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.771 10.088 -10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.702 9.960 -11.586 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.343 8.816 -9.670 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.255 8.343 -8.824 1.00 0.00 C ATOM 1328 C ILE A 88 -2.934 8.998 -9.209 1.00 0.00 C ATOM 1329 O ILE A 88 -2.699 9.306 -10.377 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.101 6.813 -8.908 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.408 6.124 -8.511 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.958 6.346 -8.019 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.537 4.716 -9.048 1.00 0.00 C ATOM 0 H ILE A 88 -5.800 8.086 -10.217 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.509 8.619 -7.800 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.868 6.542 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.479 6.097 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.247 6.720 -8.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.862 5.263 -8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.029 6.815 -8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.163 6.626 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.488 4.290 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.498 4.737 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.719 4.105 -8.667 1.00 0.00 H new ATOM 1345 N GLY A 89 -2.071 9.207 -8.219 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.783 9.823 -8.475 1.00 0.00 C ATOM 1347 C GLY A 89 0.361 8.833 -8.383 1.00 0.00 C ATOM 1348 O GLY A 89 0.376 7.824 -9.087 1.00 0.00 O ATOM 0 H GLY A 89 -2.242 8.960 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.790 10.274 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.620 10.629 -7.759 1.00 0.00 H new ATOM 1352 N ASN A 90 1.324 9.122 -7.513 1.00 0.00 N ATOM 1353 CA ASN A 90 2.479 8.250 -7.333 1.00 0.00 C ATOM 1354 C ASN A 90 2.192 7.176 -6.289 1.00 0.00 C ATOM 1355 O ASN A 90 1.417 7.393 -5.357 1.00 0.00 O ATOM 1356 CB ASN A 90 3.702 9.069 -6.916 1.00 0.00 C ATOM 1357 CG ASN A 90 3.936 10.262 -7.822 1.00 0.00 C ATOM 1358 OD1 ASN A 90 3.699 11.406 -7.434 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.402 10.000 -9.038 1.00 0.00 N ATOM 0 H ASN A 90 1.327 9.953 -6.922 1.00 0.00 H new ATOM 0 HA ASN A 90 2.685 7.760 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.571 9.415 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.585 8.430 -6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.577 10.763 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.584 9.036 -9.318 1.00 0.00 H new ATOM 1366 N TRP A 91 2.822 6.018 -6.451 1.00 0.00 N ATOM 1367 CA TRP A 91 2.635 4.909 -5.521 1.00 0.00 C ATOM 1368 C TRP A 91 3.659 4.966 -4.394 1.00 0.00 C ATOM 1369 O TRP A 91 4.855 5.131 -4.636 1.00 0.00 O ATOM 1370 CB TRP A 91 2.744 3.574 -6.259 1.00 0.00 C ATOM 1371 CG TRP A 91 1.571 3.290 -7.149 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.519 3.434 -8.506 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.283 2.816 -6.744 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.275 3.077 -8.969 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.501 2.694 -7.908 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.285 2.481 -5.511 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.821 2.252 -7.873 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.595 2.044 -5.478 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.351 1.932 -6.652 1.00 0.00 C ATOM 0 H TRP A 91 3.466 5.822 -7.217 1.00 0.00 H new ATOM 0 HA TRP A 91 1.639 4.995 -5.086 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.655 3.571 -6.858 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.840 2.770 -5.529 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.335 3.778 -9.124 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -0.022 3.095 -9.945 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.290 2.562 -4.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.406 2.165 -8.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.044 1.784 -4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.372 1.586 -6.593 1.00 0.00 H new ATOM 1390 N SER A 92 3.184 4.828 -3.160 1.00 0.00 N ATOM 1391 CA SER A 92 4.059 4.867 -1.994 1.00 0.00 C ATOM 1392 C SER A 92 4.913 3.605 -1.914 1.00 0.00 C ATOM 1393 O SER A 92 4.438 2.502 -2.185 1.00 0.00 O ATOM 1394 CB SER A 92 3.234 5.020 -0.715 1.00 0.00 C ATOM 1395 OG SER A 92 2.551 3.818 -0.402 1.00 0.00 O ATOM 0 H SER A 92 2.197 4.688 -2.942 1.00 0.00 H new ATOM 0 HA SER A 92 4.721 5.727 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.888 5.297 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.515 5.830 -0.837 1.00 0.00 H new ATOM 0 HG SER A 92 2.032 3.941 0.420 1.00 0.00 H new ATOM 1401 N ASP A 93 6.176 3.777 -1.541 1.00 0.00 N ATOM 1402 CA ASP A 93 7.098 2.653 -1.423 1.00 0.00 C ATOM 1403 C ASP A 93 6.385 1.419 -0.878 1.00 0.00 C ATOM 1404 O ASP A 93 6.155 1.304 0.326 1.00 0.00 O ATOM 1405 CB ASP A 93 8.272 3.021 -0.514 1.00 0.00 C ATOM 1406 CG ASP A 93 9.313 3.863 -1.226 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.633 3.551 -2.392 1.00 0.00 O ATOM 1408 OD2 ASP A 93 9.806 4.835 -0.617 1.00 0.00 O ATOM 0 H ASP A 93 6.585 4.684 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 93 7.478 2.422 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.899 3.566 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.739 2.109 -0.141 1.00 0.00 H new ATOM 1413 N SER A 94 6.036 0.500 -1.773 1.00 0.00 N ATOM 1414 CA SER A 94 5.344 -0.723 -1.382 1.00 0.00 C ATOM 1415 C SER A 94 6.082 -1.426 -0.247 1.00 0.00 C ATOM 1416 O SER A 94 7.309 -1.526 -0.256 1.00 0.00 O ATOM 1417 CB SER A 94 5.213 -1.664 -2.581 1.00 0.00 C ATOM 1418 OG SER A 94 4.082 -2.507 -2.446 1.00 0.00 O ATOM 0 H SER A 94 6.221 0.579 -2.773 1.00 0.00 H new ATOM 0 HA SER A 94 4.348 -0.452 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.128 -1.080 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.114 -2.271 -2.671 1.00 0.00 H new ATOM 0 HG SER A 94 3.673 -2.368 -1.566 1.00 0.00 H new ATOM 1424 N LYS A 95 5.325 -1.912 0.731 1.00 0.00 N ATOM 1425 CA LYS A 95 5.904 -2.607 1.874 1.00 0.00 C ATOM 1426 C LYS A 95 5.471 -4.069 1.898 1.00 0.00 C ATOM 1427 O LYS A 95 4.460 -4.437 1.300 1.00 0.00 O ATOM 1428 CB LYS A 95 5.491 -1.920 3.178 1.00 0.00 C ATOM 1429 CG LYS A 95 6.139 -0.561 3.381 1.00 0.00 C ATOM 1430 CD LYS A 95 7.648 -0.677 3.515 1.00 0.00 C ATOM 1431 CE LYS A 95 8.287 0.672 3.805 1.00 0.00 C ATOM 1432 NZ LYS A 95 8.379 0.939 5.268 1.00 0.00 N ATOM 0 H LYS A 95 4.308 -1.837 0.755 1.00 0.00 H new ATOM 0 HA LYS A 95 6.989 -2.569 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.407 -1.802 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.750 -2.566 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.896 0.088 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.729 -0.091 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.891 -1.375 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.065 -1.088 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.284 0.703 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.704 1.460 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.820 1.868 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.425 0.934 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.956 0.201 5.720 1.00 0.00 H new ATOM 1446 N SER A 96 6.241 -4.899 2.595 1.00 0.00 N ATOM 1447 CA SER A 96 5.937 -6.321 2.695 1.00 0.00 C ATOM 1448 C SER A 96 5.747 -6.735 4.151 1.00 0.00 C ATOM 1449 O SER A 96 6.338 -6.147 5.057 1.00 0.00 O ATOM 1450 CB SER A 96 7.057 -7.149 2.060 1.00 0.00 C ATOM 1451 OG SER A 96 8.311 -6.508 2.206 1.00 0.00 O ATOM 0 H SER A 96 7.080 -4.611 3.099 1.00 0.00 H new ATOM 0 HA SER A 96 5.007 -6.507 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.093 -8.135 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.845 -7.303 1.002 1.00 0.00 H new ATOM 0 HG SER A 96 9.009 -7.058 1.794 1.00 0.00 H new ATOM 1457 N ILE A 97 4.918 -7.751 4.367 1.00 0.00 N ATOM 1458 CA ILE A 97 4.650 -8.244 5.712 1.00 0.00 C ATOM 1459 C ILE A 97 4.109 -9.670 5.677 1.00 0.00 C ATOM 1460 O ILE A 97 3.156 -9.967 4.956 1.00 0.00 O ATOM 1461 CB ILE A 97 3.643 -7.344 6.452 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.440 -7.839 7.885 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.318 -7.306 5.706 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.859 -6.791 8.810 1.00 0.00 C ATOM 0 H ILE A 97 4.421 -8.248 3.628 1.00 0.00 H new ATOM 0 HA ILE A 97 5.599 -8.230 6.248 1.00 0.00 H new ATOM 0 HB ILE A 97 4.044 -6.331 6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.780 -8.706 7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.397 -8.174 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.617 -6.666 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.477 -6.911 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.910 -8.314 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.742 -7.212 9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.529 -5.933 8.854 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.886 -6.473 8.434 1.00 0.00 H new ATOM 1476 N THR A 98 4.723 -10.549 6.463 1.00 0.00 N ATOM 1477 CA THR A 98 4.304 -11.944 6.523 1.00 0.00 C ATOM 1478 C THR A 98 3.116 -12.121 7.462 1.00 0.00 C ATOM 1479 O THR A 98 3.279 -12.182 8.681 1.00 0.00 O ATOM 1480 CB THR A 98 5.453 -12.856 6.989 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.578 -12.713 6.115 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.011 -14.311 7.019 1.00 0.00 C ATOM 0 H THR A 98 5.512 -10.319 7.067 1.00 0.00 H new ATOM 0 HA THR A 98 4.011 -12.230 5.513 1.00 0.00 H new ATOM 0 HB THR A 98 5.737 -12.558 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.305 -13.295 6.420 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.840 -14.936 7.351 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.173 -14.423 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.703 -14.618 6.020 1.00 0.00 H new ATOM 1490 N THR A 99 1.920 -12.204 6.888 1.00 0.00 N ATOM 1491 CA THR A 99 0.705 -12.374 7.674 1.00 0.00 C ATOM 1492 C THR A 99 0.896 -13.427 8.760 1.00 0.00 C ATOM 1493 O THR A 99 1.820 -14.238 8.696 1.00 0.00 O ATOM 1494 CB THR A 99 -0.487 -12.779 6.786 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.097 -13.826 5.890 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.998 -11.588 5.990 1.00 0.00 C ATOM 0 H THR A 99 1.767 -12.156 5.881 1.00 0.00 H new ATOM 0 HA THR A 99 0.492 -11.411 8.138 1.00 0.00 H new ATOM 0 HB THR A 99 -1.289 -13.135 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.896 -14.225 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.839 -11.898 5.371 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.321 -10.804 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.200 -11.207 5.353 1.00 0.00 H new ATOM 1504 N ILE A 100 0.016 -13.408 9.756 1.00 0.00 N ATOM 1505 CA ILE A 100 0.087 -14.363 10.855 1.00 0.00 C ATOM 1506 C ILE A 100 -1.220 -15.136 10.998 1.00 0.00 C ATOM 1507 O ILE A 100 -2.295 -14.622 10.689 1.00 0.00 O ATOM 1508 CB ILE A 100 0.405 -13.663 12.189 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.728 -12.707 12.571 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.726 -12.915 12.094 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.641 -12.206 13.996 1.00 0.00 C ATOM 0 H ILE A 100 -0.754 -12.742 9.824 1.00 0.00 H new ATOM 0 HA ILE A 100 0.893 -15.058 10.617 1.00 0.00 H new ATOM 0 HB ILE A 100 0.495 -14.421 12.967 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.717 -11.854 11.893 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.683 -13.213 12.430 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.936 -12.426 13.045 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.526 -13.618 11.863 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.663 -12.165 11.306 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.475 -11.534 14.197 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.683 -13.052 14.682 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.298 -11.671 14.137 1.00 0.00 H new ATOM 1523 N LYS A 101 -1.120 -16.374 11.470 1.00 0.00 N ATOM 1524 CA LYS A 101 -2.294 -17.219 11.657 1.00 0.00 C ATOM 1525 C LYS A 101 -3.063 -16.810 12.909 1.00 0.00 C ATOM 1526 O LYS A 101 -3.027 -17.503 13.926 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.879 -18.688 11.757 1.00 0.00 C ATOM 1528 CG LYS A 101 -3.052 -19.642 11.904 1.00 0.00 C ATOM 1529 CD LYS A 101 -3.566 -20.105 10.551 1.00 0.00 C ATOM 1530 CE LYS A 101 -4.761 -21.036 10.697 1.00 0.00 C ATOM 1531 NZ LYS A 101 -5.387 -21.346 9.382 1.00 0.00 N ATOM 0 H LYS A 101 -0.238 -16.815 11.730 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.946 -17.090 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.311 -18.958 10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.212 -18.811 12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.748 -20.506 12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.856 -19.150 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.849 -19.239 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.768 -20.617 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.443 -21.962 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.501 -20.577 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.197 -21.983 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.713 -20.465 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.688 -21.808 8.765 1.00 0.00 H new