USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 484 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 44 HIS : no HD1:sc= -1.07! C(o=-1.3!,f=-6.6!) USER MOD Set 1.2: A 46 SER OG : rot -104:sc= -0.255 USER MOD Set 2.1: A 17 SER OG : rot 178:sc= 1.26 USER MOD Set 2.2: A 20 THR OG1 : rot 98:sc= 1.17 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00114 (180deg=-0.288) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -3.98! K(o=-4!,f=-5.1) USER MOD Single : A 12 GLN : amide:sc= -0.0968 X(o=-0.097,f=-0.097) USER MOD Single : A 28 SER OG : rot -57:sc= 0.0216 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.926 (180deg=-1.38) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.13 (180deg=-0.829) USER MOD Single : A 53 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.201 8.799 -14.201 1.00 0.00 N ATOM 2 CA MET A 1 2.852 8.233 -13.916 1.00 0.00 C ATOM 3 C MET A 1 2.938 7.295 -12.711 1.00 0.00 C ATOM 4 O MET A 1 3.930 6.626 -12.503 1.00 0.00 O ATOM 5 CB MET A 1 2.360 7.449 -15.135 1.00 0.00 C ATOM 6 CG MET A 1 2.258 8.386 -16.339 1.00 0.00 C ATOM 7 SD MET A 1 1.417 7.531 -17.697 1.00 0.00 S ATOM 8 CE MET A 1 2.895 6.830 -18.471 1.00 0.00 C ATOM 0 H1 MET A 1 4.109 9.604 -14.853 1.00 0.00 H new ATOM 0 H2 MET A 1 4.637 9.120 -13.313 1.00 0.00 H new ATOM 0 H3 MET A 1 4.799 8.068 -14.636 1.00 0.00 H new ATOM 0 HA MET A 1 2.156 9.044 -13.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.046 6.631 -15.355 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.388 7.003 -14.925 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.709 9.287 -16.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.253 8.701 -16.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.606 6.250 -19.348 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.564 7.635 -18.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.406 6.181 -17.759 1.00 0.00 H new ATOM 20 N TYR A 2 1.903 7.237 -11.916 1.00 0.00 N ATOM 21 CA TYR A 2 1.926 6.339 -10.725 1.00 0.00 C ATOM 22 C TYR A 2 0.492 5.974 -10.335 1.00 0.00 C ATOM 23 O TYR A 2 -0.399 5.966 -11.161 1.00 0.00 O ATOM 24 CB TYR A 2 2.620 7.048 -9.559 1.00 0.00 C ATOM 25 CG TYR A 2 1.789 8.227 -9.107 1.00 0.00 C ATOM 26 CD1 TYR A 2 1.680 9.360 -9.923 1.00 0.00 C ATOM 27 CD2 TYR A 2 1.133 8.192 -7.869 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.915 10.455 -9.503 1.00 0.00 C ATOM 29 CE2 TYR A 2 0.369 9.285 -7.450 1.00 0.00 C ATOM 30 CZ TYR A 2 0.260 10.419 -8.266 1.00 0.00 C ATOM 31 OH TYR A 2 -0.493 11.497 -7.852 1.00 0.00 O ATOM 0 H TYR A 2 1.043 7.772 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 2 2.476 5.429 -10.965 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.761 6.353 -8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.610 7.386 -9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.186 9.389 -10.877 1.00 0.00 H new ATOM 0 HD2 TYR A 2 1.218 7.320 -7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.830 11.328 -10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.138 9.255 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.880 11.307 -6.972 1.00 0.00 H new ATOM 41 N LEU A 3 0.261 5.666 -9.082 1.00 0.00 N ATOM 42 CA LEU A 3 -1.119 5.289 -8.637 1.00 0.00 C ATOM 43 C LEU A 3 -1.396 5.905 -7.263 1.00 0.00 C ATOM 44 O LEU A 3 -0.533 5.965 -6.412 1.00 0.00 O ATOM 45 CB LEU A 3 -1.215 3.759 -8.530 1.00 0.00 C ATOM 46 CG LEU A 3 -1.374 3.132 -9.933 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.822 1.702 -9.924 1.00 0.00 C ATOM 48 CD2 LEU A 3 -2.858 3.090 -10.325 1.00 0.00 C ATOM 0 H LEU A 3 0.968 5.659 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.849 5.657 -9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.321 3.365 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.063 3.484 -7.903 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.824 3.738 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.935 1.262 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.234 1.721 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.371 1.104 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.960 2.646 -11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.409 2.491 -9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.260 4.103 -10.338 1.00 0.00 H new ATOM 60 N THR A 4 -2.602 6.353 -7.038 1.00 0.00 N ATOM 61 CA THR A 4 -2.944 6.951 -5.716 1.00 0.00 C ATOM 62 C THR A 4 -3.425 5.837 -4.783 1.00 0.00 C ATOM 63 O THR A 4 -3.730 4.745 -5.216 1.00 0.00 O ATOM 64 CB THR A 4 -4.060 7.986 -5.900 1.00 0.00 C ATOM 65 OG1 THR A 4 -3.773 8.789 -7.036 1.00 0.00 O ATOM 66 CG2 THR A 4 -4.155 8.874 -4.655 1.00 0.00 C ATOM 0 H THR A 4 -3.366 6.330 -7.714 1.00 0.00 H new ATOM 0 HA THR A 4 -2.069 7.440 -5.288 1.00 0.00 H new ATOM 0 HB THR A 4 -5.010 7.472 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.486 9.451 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.950 9.608 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.376 8.257 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.207 9.390 -4.503 1.00 0.00 H new ATOM 74 N LEU A 5 -3.505 6.102 -3.508 1.00 0.00 N ATOM 75 CA LEU A 5 -3.973 5.052 -2.557 1.00 0.00 C ATOM 76 C LEU A 5 -5.253 4.416 -3.099 1.00 0.00 C ATOM 77 O LEU A 5 -5.329 3.222 -3.312 1.00 0.00 O ATOM 78 CB LEU A 5 -4.259 5.700 -1.196 1.00 0.00 C ATOM 79 CG LEU A 5 -4.335 4.623 -0.098 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.430 5.298 1.282 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.565 3.719 -0.318 1.00 0.00 C ATOM 0 H LEU A 5 -3.267 6.998 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.206 4.285 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.476 6.419 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.197 6.253 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.435 4.010 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.484 4.534 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.549 5.919 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.325 5.919 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.605 2.963 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.471 4.324 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.489 3.231 -1.290 1.00 0.00 H new ATOM 93 N GLN A 6 -6.259 5.212 -3.318 1.00 0.00 N ATOM 94 CA GLN A 6 -7.551 4.677 -3.839 1.00 0.00 C ATOM 95 C GLN A 6 -7.296 3.685 -4.981 1.00 0.00 C ATOM 96 O GLN A 6 -7.793 2.576 -4.970 1.00 0.00 O ATOM 97 CB GLN A 6 -8.405 5.836 -4.358 1.00 0.00 C ATOM 98 CG GLN A 6 -8.738 6.783 -3.204 1.00 0.00 C ATOM 99 CD GLN A 6 -9.343 8.072 -3.762 1.00 0.00 C ATOM 100 OE1 GLN A 6 -8.667 9.075 -3.874 1.00 0.00 O ATOM 101 NE2 GLN A 6 -10.598 8.087 -4.120 1.00 0.00 N ATOM 0 H GLN A 6 -6.244 6.219 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.072 4.161 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.870 6.374 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.323 5.454 -4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.439 6.306 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.837 7.009 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.165 7.245 -4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.011 8.941 -4.494 1.00 0.00 H new ATOM 110 N GLU A 7 -6.540 4.075 -5.971 1.00 0.00 N ATOM 111 CA GLU A 7 -6.274 3.150 -7.112 1.00 0.00 C ATOM 112 C GLU A 7 -5.210 2.121 -6.719 1.00 0.00 C ATOM 113 O GLU A 7 -5.173 1.025 -7.242 1.00 0.00 O ATOM 114 CB GLU A 7 -5.779 3.953 -8.318 1.00 0.00 C ATOM 115 CG GLU A 7 -6.813 5.020 -8.687 1.00 0.00 C ATOM 116 CD GLU A 7 -8.051 4.347 -9.282 1.00 0.00 C ATOM 117 OE1 GLU A 7 -7.896 3.602 -10.236 1.00 0.00 O ATOM 118 OE2 GLU A 7 -9.134 4.588 -8.775 1.00 0.00 O ATOM 0 H GLU A 7 -6.096 4.991 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.197 2.631 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.823 4.424 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.610 3.288 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.088 5.596 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.387 5.721 -9.404 1.00 0.00 H new ATOM 125 N TRP A 8 -4.342 2.463 -5.809 1.00 0.00 N ATOM 126 CA TRP A 8 -3.281 1.504 -5.393 1.00 0.00 C ATOM 127 C TRP A 8 -3.923 0.197 -4.929 1.00 0.00 C ATOM 128 O TRP A 8 -3.492 -0.881 -5.291 1.00 0.00 O ATOM 129 CB TRP A 8 -2.483 2.115 -4.245 1.00 0.00 C ATOM 130 CG TRP A 8 -1.265 1.295 -3.978 1.00 0.00 C ATOM 131 CD1 TRP A 8 -0.175 1.231 -4.778 1.00 0.00 C ATOM 132 CD2 TRP A 8 -0.991 0.426 -2.845 1.00 0.00 C ATOM 133 NE1 TRP A 8 0.752 0.384 -4.199 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.295 -0.135 -3.010 1.00 0.00 C ATOM 135 CE3 TRP A 8 -1.725 0.074 -1.699 1.00 0.00 C ATOM 136 CZ2 TRP A 8 0.837 -1.008 -2.076 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -1.181 -0.813 -0.753 1.00 0.00 C ATOM 138 CH2 TRP A 8 0.101 -1.352 -0.943 1.00 0.00 C ATOM 0 H TRP A 8 -4.321 3.366 -5.335 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.620 1.299 -6.235 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.196 3.137 -4.494 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.101 2.166 -3.348 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.050 1.755 -5.714 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.663 0.170 -4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.711 0.487 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.824 -1.419 -2.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.752 -1.081 0.124 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.516 -2.031 -0.213 1.00 0.00 H new ATOM 149 N ASN A 9 -4.948 0.280 -4.127 1.00 0.00 N ATOM 150 CA ASN A 9 -5.615 -0.958 -3.638 1.00 0.00 C ATOM 151 C ASN A 9 -6.534 -1.510 -4.728 1.00 0.00 C ATOM 152 O ASN A 9 -6.568 -2.697 -4.984 1.00 0.00 O ATOM 153 CB ASN A 9 -6.440 -0.632 -2.390 1.00 0.00 C ATOM 154 CG ASN A 9 -7.474 0.442 -2.731 1.00 0.00 C ATOM 155 OD1 ASN A 9 -7.272 1.607 -2.451 1.00 0.00 O ATOM 156 ND2 ASN A 9 -8.582 0.097 -3.328 1.00 0.00 N ATOM 0 H ASN A 9 -5.353 1.153 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.860 -1.704 -3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.939 -1.530 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.787 -0.283 -1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.278 0.805 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.752 -0.881 -3.563 1.00 0.00 H new ATOM 163 N ALA A 10 -7.284 -0.660 -5.375 1.00 0.00 N ATOM 164 CA ALA A 10 -8.201 -1.140 -6.447 1.00 0.00 C ATOM 165 C ALA A 10 -7.394 -1.876 -7.519 1.00 0.00 C ATOM 166 O ALA A 10 -7.944 -2.461 -8.431 1.00 0.00 O ATOM 167 CB ALA A 10 -8.921 0.055 -7.078 1.00 0.00 C ATOM 0 H ALA A 10 -7.301 0.346 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.936 -1.820 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.592 -0.297 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.498 0.577 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.187 0.737 -7.507 1.00 0.00 H new ATOM 173 N ARG A 11 -6.091 -1.854 -7.417 1.00 0.00 N ATOM 174 CA ARG A 11 -5.244 -2.552 -8.430 1.00 0.00 C ATOM 175 C ARG A 11 -5.021 -4.002 -7.992 1.00 0.00 C ATOM 176 O ARG A 11 -4.746 -4.869 -8.797 1.00 0.00 O ATOM 177 CB ARG A 11 -3.892 -1.831 -8.541 1.00 0.00 C ATOM 178 CG ARG A 11 -4.034 -0.568 -9.415 1.00 0.00 C ATOM 179 CD ARG A 11 -3.836 -0.923 -10.894 1.00 0.00 C ATOM 180 NE ARG A 11 -4.452 0.135 -11.744 1.00 0.00 N ATOM 181 CZ ARG A 11 -4.154 0.208 -13.012 1.00 0.00 C ATOM 182 NH1 ARG A 11 -3.323 -0.649 -13.538 1.00 0.00 N ATOM 183 NH2 ARG A 11 -4.690 1.138 -13.755 1.00 0.00 N ATOM 0 H ARG A 11 -5.575 -1.382 -6.674 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.742 -2.541 -9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.535 -1.557 -7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.149 -2.500 -8.974 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.019 -0.124 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.300 0.178 -9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.773 -1.012 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.290 -1.890 -11.111 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.106 0.802 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.906 -1.377 -12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.091 -0.591 -14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.341 1.807 -13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.458 1.196 -14.746 1.00 0.00 H new ATOM 197 N GLN A 12 -5.138 -4.273 -6.721 1.00 0.00 N ATOM 198 CA GLN A 12 -4.934 -5.668 -6.238 1.00 0.00 C ATOM 199 C GLN A 12 -6.134 -6.526 -6.645 1.00 0.00 C ATOM 200 O GLN A 12 -7.270 -6.107 -6.548 1.00 0.00 O ATOM 201 CB GLN A 12 -4.803 -5.667 -4.713 1.00 0.00 C ATOM 202 CG GLN A 12 -3.722 -4.668 -4.294 1.00 0.00 C ATOM 203 CD GLN A 12 -2.383 -5.076 -4.909 1.00 0.00 C ATOM 204 OE1 GLN A 12 -1.856 -6.127 -4.604 1.00 0.00 O ATOM 205 NE2 GLN A 12 -1.806 -4.282 -5.769 1.00 0.00 N ATOM 0 H GLN A 12 -5.365 -3.591 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.025 -6.077 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.756 -5.401 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.547 -6.666 -4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.993 -3.664 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.641 -4.638 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.249 -3.399 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.912 -4.544 -6.185 1.00 0.00 H new ATOM 214 N ARG A 13 -5.891 -7.723 -7.103 1.00 0.00 N ATOM 215 CA ARG A 13 -7.020 -8.604 -7.516 1.00 0.00 C ATOM 216 C ARG A 13 -7.927 -8.866 -6.313 1.00 0.00 C ATOM 217 O ARG A 13 -9.060 -9.285 -6.456 1.00 0.00 O ATOM 218 CB ARG A 13 -6.468 -9.931 -8.044 1.00 0.00 C ATOM 219 CG ARG A 13 -5.649 -10.618 -6.948 1.00 0.00 C ATOM 220 CD ARG A 13 -4.824 -11.751 -7.562 1.00 0.00 C ATOM 221 NE ARG A 13 -5.712 -12.634 -8.369 1.00 0.00 N ATOM 222 CZ ARG A 13 -5.194 -13.479 -9.219 1.00 0.00 C ATOM 223 NH1 ARG A 13 -3.899 -13.553 -9.360 1.00 0.00 N ATOM 224 NH2 ARG A 13 -5.972 -14.252 -9.928 1.00 0.00 N ATOM 0 H ARG A 13 -4.961 -8.129 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.594 -8.115 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.287 -10.577 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.845 -9.754 -8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.991 -9.896 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.311 -11.012 -6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.034 -11.340 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.338 -12.328 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.724 -12.578 -8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.290 -12.950 -8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.495 -14.213 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.984 -14.196 -9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.567 -14.912 -10.592 1.00 0.00 H new ATOM 238 N ARG A 14 -7.440 -8.621 -5.124 1.00 0.00 N ATOM 239 CA ARG A 14 -8.273 -8.853 -3.905 1.00 0.00 C ATOM 240 C ARG A 14 -7.850 -7.846 -2.814 1.00 0.00 C ATOM 241 O ARG A 14 -7.066 -8.159 -1.940 1.00 0.00 O ATOM 242 CB ARG A 14 -8.060 -10.312 -3.424 1.00 0.00 C ATOM 243 CG ARG A 14 -9.390 -10.937 -2.973 1.00 0.00 C ATOM 244 CD ARG A 14 -9.920 -10.206 -1.735 1.00 0.00 C ATOM 245 NE ARG A 14 -11.312 -10.658 -1.458 1.00 0.00 N ATOM 246 CZ ARG A 14 -11.860 -10.410 -0.300 1.00 0.00 C ATOM 247 NH1 ARG A 14 -11.186 -9.778 0.621 1.00 0.00 N ATOM 248 NH2 ARG A 14 -13.084 -10.797 -0.064 1.00 0.00 N ATOM 0 H ARG A 14 -6.500 -8.270 -4.944 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.331 -8.708 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.628 -10.906 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.347 -10.328 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.120 -10.879 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.247 -11.994 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.281 -10.410 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.900 -9.128 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.837 -11.161 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.229 -9.477 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.616 -9.585 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.610 -11.292 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.514 -10.604 0.840 1.00 0.00 H new ATOM 262 N PRO A 15 -8.360 -6.637 -2.866 1.00 0.00 N ATOM 263 CA PRO A 15 -8.020 -5.582 -1.874 1.00 0.00 C ATOM 264 C PRO A 15 -8.894 -5.665 -0.616 1.00 0.00 C ATOM 265 O PRO A 15 -9.563 -6.650 -0.379 1.00 0.00 O ATOM 266 CB PRO A 15 -8.296 -4.291 -2.646 1.00 0.00 C ATOM 267 CG PRO A 15 -9.442 -4.632 -3.549 1.00 0.00 C ATOM 268 CD PRO A 15 -9.314 -6.133 -3.874 1.00 0.00 C ATOM 0 HA PRO A 15 -6.997 -5.666 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.551 -3.473 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.422 -3.975 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.395 -4.421 -3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.409 -4.034 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.276 -6.640 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.945 -6.292 -4.887 1.00 0.00 H new ATOM 276 N ARG A 16 -8.891 -4.635 0.189 1.00 0.00 N ATOM 277 CA ARG A 16 -9.716 -4.646 1.433 1.00 0.00 C ATOM 278 C ARG A 16 -10.120 -3.211 1.786 1.00 0.00 C ATOM 279 O ARG A 16 -10.185 -2.348 0.934 1.00 0.00 O ATOM 280 CB ARG A 16 -8.900 -5.248 2.581 1.00 0.00 C ATOM 281 CG ARG A 16 -8.568 -6.714 2.265 1.00 0.00 C ATOM 282 CD ARG A 16 -8.056 -7.439 3.533 1.00 0.00 C ATOM 283 NE ARG A 16 -6.826 -8.235 3.216 1.00 0.00 N ATOM 284 CZ ARG A 16 -6.764 -9.004 2.159 1.00 0.00 C ATOM 285 NH1 ARG A 16 -7.807 -9.160 1.391 1.00 0.00 N ATOM 286 NH2 ARG A 16 -5.658 -9.642 1.885 1.00 0.00 N ATOM 0 H ARG A 16 -8.350 -3.783 0.038 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.612 -5.247 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.981 -4.679 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.463 -5.185 3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.455 -7.220 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.812 -6.761 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.835 -6.710 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.833 -8.097 3.923 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.020 -8.176 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.680 -8.681 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.750 -9.761 0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.846 -9.540 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.606 -10.242 1.062 1.00 0.00 H new ATOM 300 N SER A 17 -10.396 -2.948 3.036 1.00 0.00 N ATOM 301 CA SER A 17 -10.799 -1.571 3.438 1.00 0.00 C ATOM 302 C SER A 17 -9.584 -0.641 3.393 1.00 0.00 C ATOM 303 O SER A 17 -8.455 -1.063 3.548 1.00 0.00 O ATOM 304 CB SER A 17 -11.362 -1.599 4.860 1.00 0.00 C ATOM 305 OG SER A 17 -10.298 -1.799 5.782 1.00 0.00 O ATOM 0 H SER A 17 -10.359 -3.628 3.795 1.00 0.00 H new ATOM 0 HA SER A 17 -11.560 -1.205 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.877 -0.663 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.098 -2.398 4.957 1.00 0.00 H new ATOM 0 HG SER A 17 -10.650 -1.784 6.696 1.00 0.00 H new ATOM 311 N LEU A 18 -9.807 0.625 3.185 1.00 0.00 N ATOM 312 CA LEU A 18 -8.667 1.579 3.135 1.00 0.00 C ATOM 313 C LEU A 18 -8.094 1.747 4.541 1.00 0.00 C ATOM 314 O LEU A 18 -6.920 2.007 4.716 1.00 0.00 O ATOM 315 CB LEU A 18 -9.153 2.927 2.599 1.00 0.00 C ATOM 316 CG LEU A 18 -10.047 2.704 1.372 1.00 0.00 C ATOM 317 CD1 LEU A 18 -10.298 4.042 0.676 1.00 0.00 C ATOM 318 CD2 LEU A 18 -9.359 1.742 0.393 1.00 0.00 C ATOM 0 H LEU A 18 -10.729 1.040 3.048 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.890 1.196 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.707 3.459 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.301 3.551 2.331 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.995 2.273 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.933 3.885 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.793 4.724 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.347 4.472 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.999 1.588 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.408 2.168 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.181 0.787 0.886 1.00 0.00 H new ATOM 330 N GLU A 19 -8.907 1.581 5.548 1.00 0.00 N ATOM 331 CA GLU A 19 -8.393 1.710 6.938 1.00 0.00 C ATOM 332 C GLU A 19 -7.511 0.503 7.234 1.00 0.00 C ATOM 333 O GLU A 19 -6.580 0.573 8.013 1.00 0.00 O ATOM 334 CB GLU A 19 -9.563 1.756 7.923 1.00 0.00 C ATOM 335 CG GLU A 19 -10.421 2.991 7.641 1.00 0.00 C ATOM 336 CD GLU A 19 -9.649 4.251 8.036 1.00 0.00 C ATOM 337 OE1 GLU A 19 -9.117 4.276 9.133 1.00 0.00 O ATOM 338 OE2 GLU A 19 -9.602 5.168 7.234 1.00 0.00 O ATOM 0 H GLU A 19 -9.900 1.363 5.468 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.817 2.630 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.166 0.853 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.189 1.786 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.685 3.030 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.355 2.934 8.201 1.00 0.00 H new ATOM 345 N THR A 20 -7.778 -0.600 6.595 1.00 0.00 N ATOM 346 CA THR A 20 -6.933 -1.798 6.818 1.00 0.00 C ATOM 347 C THR A 20 -5.546 -1.479 6.261 1.00 0.00 C ATOM 348 O THR A 20 -4.537 -1.907 6.785 1.00 0.00 O ATOM 349 CB THR A 20 -7.552 -3.006 6.094 1.00 0.00 C ATOM 350 OG1 THR A 20 -8.607 -3.534 6.886 1.00 0.00 O ATOM 351 CG2 THR A 20 -6.500 -4.096 5.864 1.00 0.00 C ATOM 0 H THR A 20 -8.543 -0.721 5.931 1.00 0.00 H new ATOM 0 HA THR A 20 -6.863 -2.047 7.877 1.00 0.00 H new ATOM 0 HB THR A 20 -7.934 -2.678 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.465 -3.193 6.557 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.958 -4.941 5.351 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.690 -3.697 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.102 -4.426 6.824 1.00 0.00 H new ATOM 359 N VAL A 21 -5.491 -0.705 5.210 1.00 0.00 N ATOM 360 CA VAL A 21 -4.170 -0.333 4.639 1.00 0.00 C ATOM 361 C VAL A 21 -3.434 0.548 5.651 1.00 0.00 C ATOM 362 O VAL A 21 -2.238 0.439 5.825 1.00 0.00 O ATOM 363 CB VAL A 21 -4.364 0.429 3.323 1.00 0.00 C ATOM 364 CG1 VAL A 21 -3.028 1.033 2.877 1.00 0.00 C ATOM 365 CG2 VAL A 21 -4.869 -0.537 2.245 1.00 0.00 C ATOM 0 H VAL A 21 -6.301 -0.317 4.726 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.587 -1.231 4.435 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.092 1.227 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.168 1.574 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.665 1.719 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.299 0.236 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.008 0.003 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.140 -1.334 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.820 -0.968 2.559 1.00 0.00 H new ATOM 375 N ARG A 22 -4.136 1.418 6.330 1.00 0.00 N ATOM 376 CA ARG A 22 -3.454 2.283 7.329 1.00 0.00 C ATOM 377 C ARG A 22 -2.686 1.389 8.303 1.00 0.00 C ATOM 378 O ARG A 22 -1.600 1.713 8.737 1.00 0.00 O ATOM 379 CB ARG A 22 -4.487 3.112 8.097 1.00 0.00 C ATOM 380 CG ARG A 22 -5.091 4.169 7.170 1.00 0.00 C ATOM 381 CD ARG A 22 -5.908 5.166 7.996 1.00 0.00 C ATOM 382 NE ARG A 22 -5.003 5.902 8.923 1.00 0.00 N ATOM 383 CZ ARG A 22 -5.414 6.993 9.506 1.00 0.00 C ATOM 384 NH1 ARG A 22 -6.619 7.440 9.280 1.00 0.00 N ATOM 385 NH2 ARG A 22 -4.621 7.638 10.318 1.00 0.00 N ATOM 0 H ARG A 22 -5.141 1.564 6.236 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.768 2.962 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.272 2.463 8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.017 3.593 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.300 4.690 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.726 3.693 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.420 5.867 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.677 4.641 8.562 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.062 5.552 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.240 6.936 8.647 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.940 8.294 9.736 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.680 7.288 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.943 8.492 10.774 1.00 0.00 H new ATOM 399 N ARG A 23 -3.242 0.253 8.636 1.00 0.00 N ATOM 400 CA ARG A 23 -2.552 -0.673 9.557 1.00 0.00 C ATOM 401 C ARG A 23 -1.320 -1.234 8.840 1.00 0.00 C ATOM 402 O ARG A 23 -0.271 -1.408 9.428 1.00 0.00 O ATOM 403 CB ARG A 23 -3.532 -1.795 9.945 1.00 0.00 C ATOM 404 CG ARG A 23 -2.772 -3.042 10.394 1.00 0.00 C ATOM 405 CD ARG A 23 -3.730 -4.005 11.098 1.00 0.00 C ATOM 406 NE ARG A 23 -4.747 -4.495 10.124 1.00 0.00 N ATOM 407 CZ ARG A 23 -5.471 -5.543 10.410 1.00 0.00 C ATOM 408 NH1 ARG A 23 -5.303 -6.163 11.545 1.00 0.00 N ATOM 409 NH2 ARG A 23 -6.362 -5.972 9.558 1.00 0.00 N ATOM 0 H ARG A 23 -4.151 -0.067 8.302 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.228 -0.166 10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.186 -1.453 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.170 -2.038 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.317 -3.532 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.962 -2.763 11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.176 -4.846 11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.221 -3.502 11.931 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.877 -4.012 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.605 -5.829 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.869 -6.982 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.492 -5.488 8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.928 -6.791 9.781 1.00 0.00 H new ATOM 423 N TRP A 24 -1.443 -1.520 7.570 1.00 0.00 N ATOM 424 CA TRP A 24 -0.280 -2.068 6.821 1.00 0.00 C ATOM 425 C TRP A 24 0.905 -1.116 6.968 1.00 0.00 C ATOM 426 O TRP A 24 1.984 -1.505 7.368 1.00 0.00 O ATOM 427 CB TRP A 24 -0.625 -2.208 5.336 1.00 0.00 C ATOM 428 CG TRP A 24 -1.790 -3.130 5.140 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.450 -3.802 6.116 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.442 -3.489 3.889 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.462 -4.549 5.538 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.497 -4.388 4.166 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.218 -3.121 2.550 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.303 -4.906 3.150 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.026 -3.638 1.525 1.00 0.00 C ATOM 436 CH2 TRP A 24 -4.066 -4.530 1.825 1.00 0.00 C ATOM 0 H TRP A 24 -2.296 -1.398 7.024 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.028 -3.049 7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.858 -1.228 4.919 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.240 -2.588 4.792 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.223 -3.761 7.171 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.103 -5.145 6.061 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.419 -2.436 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.103 -5.592 3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.846 -3.347 0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.683 -4.926 1.032 1.00 0.00 H new ATOM 447 N VAL A 25 0.711 0.133 6.642 1.00 0.00 N ATOM 448 CA VAL A 25 1.826 1.113 6.758 1.00 0.00 C ATOM 449 C VAL A 25 2.297 1.173 8.211 1.00 0.00 C ATOM 450 O VAL A 25 3.478 1.242 8.488 1.00 0.00 O ATOM 451 CB VAL A 25 1.338 2.497 6.323 1.00 0.00 C ATOM 452 CG1 VAL A 25 2.447 3.525 6.555 1.00 0.00 C ATOM 453 CG2 VAL A 25 0.976 2.466 4.836 1.00 0.00 C ATOM 0 H VAL A 25 -0.171 0.516 6.301 1.00 0.00 H new ATOM 0 HA VAL A 25 2.652 0.803 6.118 1.00 0.00 H new ATOM 0 HB VAL A 25 0.459 2.772 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.100 4.511 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.707 3.548 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.326 3.250 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.628 3.451 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.855 2.191 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.186 1.733 4.669 1.00 0.00 H new ATOM 463 N ARG A 26 1.384 1.138 9.144 1.00 0.00 N ATOM 464 CA ARG A 26 1.789 1.184 10.575 1.00 0.00 C ATOM 465 C ARG A 26 2.811 0.080 10.839 1.00 0.00 C ATOM 466 O ARG A 26 3.841 0.301 11.446 1.00 0.00 O ATOM 467 CB ARG A 26 0.562 0.971 11.464 1.00 0.00 C ATOM 468 CG ARG A 26 0.918 1.303 12.914 1.00 0.00 C ATOM 469 CD ARG A 26 -0.278 0.995 13.818 1.00 0.00 C ATOM 470 NE ARG A 26 -1.482 1.709 13.310 1.00 0.00 N ATOM 471 CZ ARG A 26 -2.670 1.364 13.727 1.00 0.00 C ATOM 472 NH1 ARG A 26 -2.803 0.389 14.582 1.00 0.00 N ATOM 473 NH2 ARG A 26 -3.724 1.994 13.288 1.00 0.00 N ATOM 0 H ARG A 26 0.380 1.080 8.976 1.00 0.00 H new ATOM 0 HA ARG A 26 2.229 2.155 10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.259 1.603 11.126 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.221 -0.062 11.390 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.784 0.721 13.229 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.191 2.355 13.001 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.462 -0.079 13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.063 1.304 14.841 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.378 2.468 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.979 -0.104 14.925 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.731 0.119 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.620 2.757 12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.652 1.724 13.614 1.00 0.00 H new ATOM 487 N GLU A 27 2.538 -1.108 10.378 1.00 0.00 N ATOM 488 CA GLU A 27 3.494 -2.230 10.588 1.00 0.00 C ATOM 489 C GLU A 27 4.632 -2.115 9.574 1.00 0.00 C ATOM 490 O GLU A 27 5.554 -2.907 9.564 1.00 0.00 O ATOM 491 CB GLU A 27 2.769 -3.564 10.394 1.00 0.00 C ATOM 492 CG GLU A 27 1.711 -3.735 11.485 1.00 0.00 C ATOM 493 CD GLU A 27 2.398 -4.054 12.814 1.00 0.00 C ATOM 494 OE1 GLU A 27 2.754 -5.204 13.013 1.00 0.00 O ATOM 495 OE2 GLU A 27 2.556 -3.143 13.610 1.00 0.00 O ATOM 0 H GLU A 27 1.692 -1.351 9.863 1.00 0.00 H new ATOM 0 HA GLU A 27 3.897 -2.184 11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.300 -3.595 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.483 -4.387 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.119 -2.825 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.023 -4.537 11.217 1.00 0.00 H new ATOM 502 N SER A 28 4.574 -1.129 8.719 1.00 0.00 N ATOM 503 CA SER A 28 5.649 -0.955 7.703 1.00 0.00 C ATOM 504 C SER A 28 5.764 -2.225 6.856 1.00 0.00 C ATOM 505 O SER A 28 6.847 -2.712 6.597 1.00 0.00 O ATOM 506 CB SER A 28 6.977 -0.685 8.411 1.00 0.00 C ATOM 507 OG SER A 28 7.892 -0.107 7.489 1.00 0.00 O ATOM 0 H SER A 28 3.827 -0.436 8.681 1.00 0.00 H new ATOM 0 HA SER A 28 5.406 -0.113 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.822 -0.014 9.256 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.384 -1.613 8.811 1.00 0.00 H new ATOM 0 HG SER A 28 8.000 -0.703 6.719 1.00 0.00 H new ATOM 513 N ARG A 29 4.656 -2.765 6.424 1.00 0.00 N ATOM 514 CA ARG A 29 4.698 -4.005 5.594 1.00 0.00 C ATOM 515 C ARG A 29 4.807 -3.625 4.117 1.00 0.00 C ATOM 516 O ARG A 29 5.263 -4.401 3.300 1.00 0.00 O ATOM 517 CB ARG A 29 3.417 -4.812 5.820 1.00 0.00 C ATOM 518 CG ARG A 29 3.472 -5.498 7.195 1.00 0.00 C ATOM 519 CD ARG A 29 4.564 -6.596 7.218 1.00 0.00 C ATOM 520 NE ARG A 29 4.026 -7.847 7.846 1.00 0.00 N ATOM 521 CZ ARG A 29 3.350 -7.810 8.967 1.00 0.00 C ATOM 522 NH1 ARG A 29 3.206 -6.689 9.617 1.00 0.00 N ATOM 523 NH2 ARG A 29 2.842 -8.910 9.451 1.00 0.00 N ATOM 0 H ARG A 29 3.722 -2.401 6.610 1.00 0.00 H new ATOM 0 HA ARG A 29 5.562 -4.606 5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.548 -4.156 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.303 -5.559 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.678 -4.758 7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.502 -5.938 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.901 -6.806 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.432 -6.244 7.776 1.00 0.00 H new ATOM 0 HE ARG A 29 4.190 -8.745 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.622 -5.831 9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.678 -6.670 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.972 -9.793 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.315 -8.887 10.324 1.00 0.00 H new ATOM 537 N ILE A 30 4.394 -2.437 3.763 1.00 0.00 N ATOM 538 CA ILE A 30 4.477 -2.009 2.335 1.00 0.00 C ATOM 539 C ILE A 30 5.877 -1.464 2.053 1.00 0.00 C ATOM 540 O ILE A 30 6.596 -1.081 2.953 1.00 0.00 O ATOM 541 CB ILE A 30 3.437 -0.917 2.064 1.00 0.00 C ATOM 542 CG1 ILE A 30 2.114 -1.308 2.729 1.00 0.00 C ATOM 543 CG2 ILE A 30 3.228 -0.767 0.550 1.00 0.00 C ATOM 544 CD1 ILE A 30 1.047 -0.266 2.397 1.00 0.00 C ATOM 0 H ILE A 30 4.003 -1.744 4.401 1.00 0.00 H new ATOM 0 HA ILE A 30 4.279 -2.862 1.686 1.00 0.00 H new ATOM 0 HB ILE A 30 3.787 0.031 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.797 -2.291 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.245 -1.378 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.488 0.010 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.171 -0.493 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.876 -1.712 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.106 -0.545 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.364 0.709 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.909 -0.218 1.317 1.00 0.00 H new ATOM 556 N PHE A 31 6.268 -1.420 0.811 1.00 0.00 N ATOM 557 CA PHE A 31 7.622 -0.890 0.483 1.00 0.00 C ATOM 558 C PHE A 31 7.734 -0.666 -1.041 1.00 0.00 C ATOM 559 O PHE A 31 7.404 -1.552 -1.804 1.00 0.00 O ATOM 560 CB PHE A 31 8.677 -1.911 0.920 1.00 0.00 C ATOM 561 CG PHE A 31 10.037 -1.256 0.948 1.00 0.00 C ATOM 562 CD1 PHE A 31 10.489 -0.630 2.116 1.00 0.00 C ATOM 563 CD2 PHE A 31 10.849 -1.277 -0.193 1.00 0.00 C ATOM 564 CE1 PHE A 31 11.750 -0.024 2.143 1.00 0.00 C ATOM 565 CE2 PHE A 31 12.111 -0.671 -0.165 1.00 0.00 C ATOM 566 CZ PHE A 31 12.561 -0.045 1.002 1.00 0.00 C ATOM 0 H PHE A 31 5.713 -1.726 0.012 1.00 0.00 H new ATOM 0 HA PHE A 31 7.781 0.055 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.431 -2.303 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.684 -2.758 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.864 -0.615 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.502 -1.760 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.098 0.460 3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.737 -0.687 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.534 0.422 1.023 1.00 0.00 H new ATOM 576 N PRO A 32 8.200 0.483 -1.510 1.00 0.00 N ATOM 577 CA PRO A 32 8.639 1.655 -0.676 1.00 0.00 C ATOM 578 C PRO A 32 7.445 2.348 0.009 1.00 0.00 C ATOM 579 O PRO A 32 6.309 2.153 -0.373 1.00 0.00 O ATOM 580 CB PRO A 32 9.317 2.609 -1.695 1.00 0.00 C ATOM 581 CG PRO A 32 9.491 1.801 -2.945 1.00 0.00 C ATOM 582 CD PRO A 32 8.364 0.777 -2.937 1.00 0.00 C ATOM 0 HA PRO A 32 9.304 1.354 0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.701 3.489 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.277 2.965 -1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.438 2.434 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.465 1.311 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.450 1.179 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.625 -0.115 -3.506 1.00 0.00 H new ATOM 590 N PRO A 33 7.703 3.145 1.013 1.00 0.00 N ATOM 591 CA PRO A 33 6.629 3.869 1.759 1.00 0.00 C ATOM 592 C PRO A 33 6.038 5.032 0.938 1.00 0.00 C ATOM 593 O PRO A 33 6.675 5.545 0.039 1.00 0.00 O ATOM 594 CB PRO A 33 7.355 4.390 3.007 1.00 0.00 C ATOM 595 CG PRO A 33 8.778 4.554 2.578 1.00 0.00 C ATOM 596 CD PRO A 33 9.042 3.447 1.552 1.00 0.00 C ATOM 0 HA PRO A 33 5.778 3.227 1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.932 5.336 3.345 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.270 3.688 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.942 5.539 2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.454 4.467 3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.723 3.781 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.494 2.570 2.016 1.00 0.00 H new ATOM 604 N PRO A 34 4.831 5.447 1.249 1.00 0.00 N ATOM 605 CA PRO A 34 4.153 6.570 0.529 1.00 0.00 C ATOM 606 C PRO A 34 4.752 7.938 0.888 1.00 0.00 C ATOM 607 O PRO A 34 5.727 8.030 1.608 1.00 0.00 O ATOM 608 CB PRO A 34 2.697 6.470 1.006 1.00 0.00 C ATOM 609 CG PRO A 34 2.788 5.856 2.366 1.00 0.00 C ATOM 610 CD PRO A 34 3.977 4.894 2.317 1.00 0.00 C ATOM 0 HA PRO A 34 4.264 6.491 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.224 7.451 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.100 5.855 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.936 6.620 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.869 5.327 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.502 4.858 3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.660 3.876 2.089 1.00 0.00 H new ATOM 618 N VAL A 35 4.168 9.002 0.391 1.00 0.00 N ATOM 619 CA VAL A 35 4.687 10.373 0.695 1.00 0.00 C ATOM 620 C VAL A 35 3.800 11.034 1.749 1.00 0.00 C ATOM 621 O VAL A 35 2.601 11.128 1.589 1.00 0.00 O ATOM 622 CB VAL A 35 4.659 11.224 -0.576 1.00 0.00 C ATOM 623 CG1 VAL A 35 5.027 12.674 -0.238 1.00 0.00 C ATOM 624 CG2 VAL A 35 5.662 10.661 -1.586 1.00 0.00 C ATOM 0 H VAL A 35 3.349 8.979 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 35 5.709 10.294 1.067 1.00 0.00 H new ATOM 0 HB VAL A 35 3.657 11.201 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.006 13.276 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.310 13.074 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.027 12.704 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.644 11.266 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.663 10.683 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.394 9.633 -1.830 1.00 0.00 H new ATOM 634 N LYS A 36 4.389 11.505 2.812 1.00 0.00 N ATOM 635 CA LYS A 36 3.607 12.177 3.878 1.00 0.00 C ATOM 636 C LYS A 36 3.216 13.575 3.393 1.00 0.00 C ATOM 637 O LYS A 36 3.687 14.570 3.905 1.00 0.00 O ATOM 638 CB LYS A 36 4.494 12.299 5.126 1.00 0.00 C ATOM 639 CG LYS A 36 4.511 10.968 5.916 1.00 0.00 C ATOM 640 CD LYS A 36 3.480 11.004 7.057 1.00 0.00 C ATOM 641 CE LYS A 36 3.629 9.747 7.938 1.00 0.00 C ATOM 642 NZ LYS A 36 4.244 8.638 7.152 1.00 0.00 N ATOM 0 H LYS A 36 5.392 11.451 2.987 1.00 0.00 H new ATOM 0 HA LYS A 36 2.709 11.606 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.509 12.567 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.125 13.102 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.291 10.138 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.507 10.793 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.623 11.901 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.472 11.054 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.247 9.974 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.653 9.439 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.140 7.744 7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.767 8.559 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.254 8.837 7.003 1.00 0.00 H new ATOM 656 N ASP A 37 2.373 13.661 2.403 1.00 0.00 N ATOM 657 CA ASP A 37 1.976 15.000 1.888 1.00 0.00 C ATOM 658 C ASP A 37 1.173 15.747 2.961 1.00 0.00 C ATOM 659 O ASP A 37 0.001 16.025 2.802 1.00 0.00 O ATOM 660 CB ASP A 37 1.140 14.833 0.606 1.00 0.00 C ATOM 661 CG ASP A 37 1.579 13.566 -0.128 1.00 0.00 C ATOM 662 OD1 ASP A 37 1.175 12.495 0.292 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.306 13.689 -1.100 1.00 0.00 O ATOM 0 H ASP A 37 1.943 12.866 1.930 1.00 0.00 H new ATOM 0 HA ASP A 37 2.867 15.581 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.081 14.773 0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.267 15.702 -0.039 1.00 0.00 H new ATOM 668 N GLY A 38 1.802 16.080 4.054 1.00 0.00 N ATOM 669 CA GLY A 38 1.088 16.813 5.135 1.00 0.00 C ATOM 670 C GLY A 38 0.027 15.910 5.767 1.00 0.00 C ATOM 671 O GLY A 38 -0.006 15.726 6.967 1.00 0.00 O ATOM 0 H GLY A 38 2.783 15.875 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.798 17.140 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.619 17.710 4.730 1.00 0.00 H new ATOM 675 N ARG A 39 -0.846 15.350 4.970 1.00 0.00 N ATOM 676 CA ARG A 39 -1.917 14.465 5.532 1.00 0.00 C ATOM 677 C ARG A 39 -2.252 13.338 4.549 1.00 0.00 C ATOM 678 O ARG A 39 -2.737 12.295 4.940 1.00 0.00 O ATOM 679 CB ARG A 39 -3.175 15.297 5.786 1.00 0.00 C ATOM 680 CG ARG A 39 -2.827 16.491 6.690 1.00 0.00 C ATOM 681 CD ARG A 39 -4.111 17.205 7.190 1.00 0.00 C ATOM 682 NE ARG A 39 -4.087 17.345 8.687 1.00 0.00 N ATOM 683 CZ ARG A 39 -3.895 16.318 9.476 1.00 0.00 C ATOM 684 NH1 ARG A 39 -3.801 15.114 8.984 1.00 0.00 N ATOM 685 NH2 ARG A 39 -3.824 16.496 10.767 1.00 0.00 N ATOM 0 H ARG A 39 -0.866 15.465 3.957 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.559 14.028 6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.587 15.651 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.942 14.682 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.243 16.147 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.204 17.198 6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.190 18.189 6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.991 16.638 6.886 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.224 18.267 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.877 14.967 7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.651 14.319 9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.918 17.433 11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.675 15.698 11.384 1.00 0.00 H new ATOM 699 N GLU A 40 -2.014 13.532 3.277 1.00 0.00 N ATOM 700 CA GLU A 40 -2.340 12.460 2.286 1.00 0.00 C ATOM 701 C GLU A 40 -1.164 11.491 2.151 1.00 0.00 C ATOM 702 O GLU A 40 -0.126 11.651 2.763 1.00 0.00 O ATOM 703 CB GLU A 40 -2.655 13.094 0.916 1.00 0.00 C ATOM 704 CG GLU A 40 -4.157 13.361 0.801 1.00 0.00 C ATOM 705 CD GLU A 40 -4.609 14.259 1.953 1.00 0.00 C ATOM 706 OE1 GLU A 40 -3.890 15.195 2.264 1.00 0.00 O ATOM 707 OE2 GLU A 40 -5.666 13.997 2.504 1.00 0.00 O ATOM 0 H GLU A 40 -1.610 14.381 2.882 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.213 11.909 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.101 14.026 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.332 12.429 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.380 13.838 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.706 12.420 0.823 1.00 0.00 H new ATOM 714 N TYR A 41 -1.344 10.475 1.349 1.00 0.00 N ATOM 715 CA TYR A 41 -0.269 9.455 1.152 1.00 0.00 C ATOM 716 C TYR A 41 -0.187 9.073 -0.328 1.00 0.00 C ATOM 717 O TYR A 41 -1.053 8.397 -0.847 1.00 0.00 O ATOM 718 CB TYR A 41 -0.621 8.205 1.965 1.00 0.00 C ATOM 719 CG TYR A 41 -0.339 8.455 3.428 1.00 0.00 C ATOM 720 CD1 TYR A 41 0.977 8.648 3.853 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.388 8.489 4.357 1.00 0.00 C ATOM 722 CE1 TYR A 41 1.250 8.873 5.203 1.00 0.00 C ATOM 723 CE2 TYR A 41 -1.115 8.715 5.711 1.00 0.00 C ATOM 724 CZ TYR A 41 0.206 8.906 6.134 1.00 0.00 C ATOM 725 OH TYR A 41 0.477 9.128 7.469 1.00 0.00 O ATOM 0 H TYR A 41 -2.197 10.306 0.817 1.00 0.00 H new ATOM 0 HA TYR A 41 0.687 9.864 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.672 7.952 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.039 7.354 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.784 8.623 3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.406 8.341 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.269 9.022 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.922 8.742 6.428 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.360 9.121 7.978 1.00 0.00 H new ATOM 735 N LEU A 42 0.848 9.482 -1.012 1.00 0.00 N ATOM 736 CA LEU A 42 0.966 9.108 -2.458 1.00 0.00 C ATOM 737 C LEU A 42 1.578 7.714 -2.559 1.00 0.00 C ATOM 738 O LEU A 42 2.649 7.459 -2.045 1.00 0.00 O ATOM 739 CB LEU A 42 1.860 10.106 -3.198 1.00 0.00 C ATOM 740 CG LEU A 42 1.340 11.529 -2.981 1.00 0.00 C ATOM 741 CD1 LEU A 42 2.325 12.526 -3.598 1.00 0.00 C ATOM 742 CD2 LEU A 42 -0.041 11.690 -3.640 1.00 0.00 C ATOM 0 H LEU A 42 1.609 10.051 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.025 9.121 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.886 10.025 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.876 9.873 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 42 1.246 11.720 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.958 13.541 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.299 12.417 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.419 12.331 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.404 12.705 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.042 11.498 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.740 10.981 -3.197 1.00 0.00 H new ATOM 754 N PHE A 43 0.903 6.802 -3.210 1.00 0.00 N ATOM 755 CA PHE A 43 1.434 5.414 -3.338 1.00 0.00 C ATOM 756 C PHE A 43 2.131 5.251 -4.690 1.00 0.00 C ATOM 757 O PHE A 43 1.500 5.016 -5.701 1.00 0.00 O ATOM 758 CB PHE A 43 0.266 4.420 -3.223 1.00 0.00 C ATOM 759 CG PHE A 43 -0.001 4.135 -1.765 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.795 5.008 -1.011 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.569 3.009 -1.164 1.00 0.00 C ATOM 762 CE1 PHE A 43 -1.016 4.751 0.347 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.343 2.750 0.193 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.449 3.623 0.949 1.00 0.00 C ATOM 0 H PHE A 43 0.002 6.961 -3.661 1.00 0.00 H new ATOM 0 HA PHE A 43 2.157 5.219 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.626 4.832 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.506 3.496 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.236 5.877 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.184 2.339 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.625 5.425 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.779 1.877 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.622 3.425 1.997 1.00 0.00 H new ATOM 774 N HIS A 44 3.429 5.362 -4.713 1.00 0.00 N ATOM 775 CA HIS A 44 4.160 5.201 -5.997 1.00 0.00 C ATOM 776 C HIS A 44 3.924 3.785 -6.528 1.00 0.00 C ATOM 777 O HIS A 44 3.840 2.837 -5.770 1.00 0.00 O ATOM 778 CB HIS A 44 5.656 5.420 -5.766 1.00 0.00 C ATOM 779 CG HIS A 44 6.353 5.560 -7.092 1.00 0.00 C ATOM 780 ND1 HIS A 44 5.669 5.512 -8.297 1.00 0.00 N ATOM 781 CD2 HIS A 44 7.674 5.748 -7.418 1.00 0.00 C ATOM 782 CE1 HIS A 44 6.572 5.667 -9.283 1.00 0.00 C ATOM 783 NE2 HIS A 44 7.810 5.815 -8.802 1.00 0.00 N ATOM 0 H HIS A 44 4.013 5.557 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 44 3.800 5.931 -6.721 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.815 6.314 -5.163 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.075 4.582 -5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.484 5.831 -6.709 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.326 5.671 -10.335 1.00 0.00 H new ATOM 0 HE2 HIS A 44 8.670 5.948 -9.334 1.00 0.00 H new ATOM 791 N GLU A 45 3.814 3.632 -7.819 1.00 0.00 N ATOM 792 CA GLU A 45 3.581 2.276 -8.400 1.00 0.00 C ATOM 793 C GLU A 45 4.528 1.266 -7.740 1.00 0.00 C ATOM 794 O GLU A 45 4.195 0.113 -7.556 1.00 0.00 O ATOM 795 CB GLU A 45 3.848 2.329 -9.910 1.00 0.00 C ATOM 796 CG GLU A 45 3.814 0.918 -10.511 1.00 0.00 C ATOM 797 CD GLU A 45 2.495 0.230 -10.148 1.00 0.00 C ATOM 798 OE1 GLU A 45 2.376 -0.228 -9.024 1.00 0.00 O ATOM 799 OE2 GLU A 45 1.626 0.172 -11.003 1.00 0.00 O ATOM 0 H GLU A 45 3.875 4.389 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 45 2.551 1.967 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.100 2.956 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.819 2.787 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.920 0.972 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.654 0.333 -10.137 1.00 0.00 H new ATOM 806 N SER A 46 5.708 1.694 -7.395 1.00 0.00 N ATOM 807 CA SER A 46 6.688 0.768 -6.759 1.00 0.00 C ATOM 808 C SER A 46 6.160 0.276 -5.407 1.00 0.00 C ATOM 809 O SER A 46 6.750 -0.586 -4.785 1.00 0.00 O ATOM 810 CB SER A 46 8.009 1.504 -6.544 1.00 0.00 C ATOM 811 OG SER A 46 7.813 2.549 -5.600 1.00 0.00 O ATOM 0 H SER A 46 6.039 2.650 -7.526 1.00 0.00 H new ATOM 0 HA SER A 46 6.838 -0.090 -7.414 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.771 0.812 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.369 1.913 -7.488 1.00 0.00 H new ATOM 0 HG SER A 46 7.775 3.409 -6.068 1.00 0.00 H new ATOM 817 N ALA A 47 5.062 0.805 -4.938 1.00 0.00 N ATOM 818 CA ALA A 47 4.530 0.346 -3.626 1.00 0.00 C ATOM 819 C ALA A 47 3.901 -1.035 -3.795 1.00 0.00 C ATOM 820 O ALA A 47 3.260 -1.320 -4.786 1.00 0.00 O ATOM 821 CB ALA A 47 3.477 1.334 -3.120 1.00 0.00 C ATOM 0 H ALA A 47 4.515 1.529 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 47 5.343 0.292 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.091 0.994 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.929 2.319 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.660 1.395 -3.839 1.00 0.00 H new ATOM 827 N VAL A 48 4.080 -1.895 -2.832 1.00 0.00 N ATOM 828 CA VAL A 48 3.495 -3.261 -2.931 1.00 0.00 C ATOM 829 C VAL A 48 3.267 -3.807 -1.520 1.00 0.00 C ATOM 830 O VAL A 48 4.021 -3.525 -0.608 1.00 0.00 O ATOM 831 CB VAL A 48 4.471 -4.178 -3.662 1.00 0.00 C ATOM 832 CG1 VAL A 48 4.505 -3.823 -5.152 1.00 0.00 C ATOM 833 CG2 VAL A 48 5.863 -3.992 -3.059 1.00 0.00 C ATOM 0 H VAL A 48 4.607 -1.710 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 48 2.552 -3.218 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 48 4.152 -5.215 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.204 -4.482 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.509 -3.946 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.826 -2.788 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.572 -4.642 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.174 -2.954 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.838 -4.248 -2.000 1.00 0.00 H new ATOM 843 N LYS A 49 2.241 -4.591 -1.329 1.00 0.00 N ATOM 844 CA LYS A 49 1.979 -5.154 0.027 1.00 0.00 C ATOM 845 C LYS A 49 2.848 -6.397 0.233 1.00 0.00 C ATOM 846 O LYS A 49 2.768 -7.354 -0.510 1.00 0.00 O ATOM 847 CB LYS A 49 0.494 -5.529 0.152 1.00 0.00 C ATOM 848 CG LYS A 49 0.070 -6.486 -0.998 1.00 0.00 C ATOM 849 CD LYS A 49 -0.223 -7.891 -0.449 1.00 0.00 C ATOM 850 CE LYS A 49 -0.778 -8.775 -1.568 1.00 0.00 C ATOM 851 NZ LYS A 49 -0.051 -8.487 -2.837 1.00 0.00 N ATOM 0 H LYS A 49 1.574 -4.866 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 49 2.223 -4.411 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.314 -6.007 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.117 -4.627 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.815 -6.093 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.862 -6.539 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.688 -8.331 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.940 -7.830 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.667 -9.827 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.844 -8.589 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.212 -9.261 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.400 -7.595 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.967 -8.403 -2.642 1.00 0.00 H new ATOM 865 N VAL A 50 3.685 -6.385 1.236 1.00 0.00 N ATOM 866 CA VAL A 50 4.570 -7.560 1.498 1.00 0.00 C ATOM 867 C VAL A 50 3.863 -8.524 2.451 1.00 0.00 C ATOM 868 O VAL A 50 2.919 -8.164 3.124 1.00 0.00 O ATOM 869 CB VAL A 50 5.878 -7.091 2.135 1.00 0.00 C ATOM 870 CG1 VAL A 50 6.864 -8.256 2.210 1.00 0.00 C ATOM 871 CG2 VAL A 50 6.491 -5.963 1.301 1.00 0.00 C ATOM 0 H VAL A 50 3.795 -5.609 1.889 1.00 0.00 H new ATOM 0 HA VAL A 50 4.787 -8.064 0.556 1.00 0.00 H new ATOM 0 HB VAL A 50 5.669 -6.725 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.795 -7.916 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.436 -9.056 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.066 -8.627 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.423 -5.635 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.693 -6.324 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.795 -5.126 1.254 1.00 0.00 H new ATOM 881 N ASP A 51 4.318 -9.745 2.512 1.00 0.00 N ATOM 882 CA ASP A 51 3.677 -10.744 3.421 1.00 0.00 C ATOM 883 C ASP A 51 4.592 -11.966 3.574 1.00 0.00 C ATOM 884 O ASP A 51 4.693 -12.548 4.636 1.00 0.00 O ATOM 885 CB ASP A 51 2.329 -11.187 2.827 1.00 0.00 C ATOM 886 CG ASP A 51 1.247 -10.155 3.157 1.00 0.00 C ATOM 887 OD1 ASP A 51 1.098 -9.834 4.324 1.00 0.00 O ATOM 888 OD2 ASP A 51 0.586 -9.703 2.236 1.00 0.00 O ATOM 0 H ASP A 51 5.108 -10.097 1.971 1.00 0.00 H new ATOM 0 HA ASP A 51 3.514 -10.289 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.418 -11.300 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.048 -12.161 3.227 1.00 0.00 H new ATOM 893 N LEU A 52 5.252 -12.364 2.521 1.00 0.00 N ATOM 894 CA LEU A 52 6.149 -13.551 2.603 1.00 0.00 C ATOM 895 C LEU A 52 5.359 -14.752 3.126 1.00 0.00 C ATOM 896 O LEU A 52 5.763 -15.413 4.062 1.00 0.00 O ATOM 897 CB LEU A 52 7.312 -13.258 3.553 1.00 0.00 C ATOM 898 CG LEU A 52 7.931 -11.901 3.212 1.00 0.00 C ATOM 899 CD1 LEU A 52 9.061 -11.596 4.198 1.00 0.00 C ATOM 900 CD2 LEU A 52 8.490 -11.930 1.783 1.00 0.00 C ATOM 0 H LEU A 52 5.208 -11.917 1.605 1.00 0.00 H new ATOM 0 HA LEU A 52 6.541 -13.773 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.960 -13.258 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.065 -14.042 3.473 1.00 0.00 H new ATOM 0 HG LEU A 52 7.167 -11.127 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.503 -10.629 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.662 -11.569 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.824 -12.372 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.930 -10.962 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.254 -12.704 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.684 -12.145 1.081 1.00 0.00 H new ATOM 912 N ASN A 53 4.234 -15.038 2.531 1.00 0.00 N ATOM 913 CA ASN A 53 3.420 -16.195 2.993 1.00 0.00 C ATOM 914 C ASN A 53 2.412 -16.575 1.907 1.00 0.00 C ATOM 915 O ASN A 53 2.083 -17.731 1.728 1.00 0.00 O ATOM 916 CB ASN A 53 2.673 -15.815 4.273 1.00 0.00 C ATOM 917 CG ASN A 53 1.921 -17.034 4.808 1.00 0.00 C ATOM 918 OD1 ASN A 53 0.731 -16.973 5.047 1.00 0.00 O ATOM 919 ND2 ASN A 53 2.570 -18.149 5.009 1.00 0.00 N ATOM 0 H ASN A 53 3.844 -14.519 1.744 1.00 0.00 H new ATOM 0 HA ASN A 53 4.075 -17.043 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.376 -15.451 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.974 -15.003 4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.078 -18.968 5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.569 -18.201 4.809 1.00 0.00 H new ATOM 926 N ARG A 54 1.918 -15.611 1.177 1.00 0.00 N ATOM 927 CA ARG A 54 0.931 -15.917 0.103 1.00 0.00 C ATOM 928 C ARG A 54 1.663 -16.459 -1.141 1.00 0.00 C ATOM 929 O ARG A 54 1.195 -17.383 -1.776 1.00 0.00 O ATOM 930 CB ARG A 54 0.136 -14.627 -0.244 1.00 0.00 C ATOM 931 CG ARG A 54 -1.305 -14.714 0.283 1.00 0.00 C ATOM 932 CD ARG A 54 -1.299 -14.670 1.813 1.00 0.00 C ATOM 933 NE ARG A 54 -2.608 -15.155 2.331 1.00 0.00 N ATOM 934 CZ ARG A 54 -2.730 -15.484 3.587 1.00 0.00 C ATOM 935 NH1 ARG A 54 -1.705 -15.386 4.389 1.00 0.00 N ATOM 936 NH2 ARG A 54 -3.876 -15.910 4.044 1.00 0.00 N ATOM 0 H ARG A 54 2.156 -14.624 1.279 1.00 0.00 H new ATOM 0 HA ARG A 54 0.233 -16.680 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.634 -13.760 0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.125 -14.481 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.897 -13.888 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.773 -15.636 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.491 -15.289 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.115 -13.652 2.157 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.409 -15.230 1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.809 -15.052 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.800 -15.643 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.678 -15.986 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.969 -16.167 5.027 1.00 0.00 H new ATOM 950 N PRO A 55 2.799 -15.900 -1.494 1.00 0.00 N ATOM 951 CA PRO A 55 3.577 -16.360 -2.687 1.00 0.00 C ATOM 952 C PRO A 55 3.881 -17.863 -2.635 1.00 0.00 C ATOM 953 O PRO A 55 3.817 -18.423 -1.553 1.00 0.00 O ATOM 954 CB PRO A 55 4.872 -15.531 -2.621 1.00 0.00 C ATOM 955 CG PRO A 55 4.504 -14.313 -1.840 1.00 0.00 C ATOM 956 CD PRO A 55 3.472 -14.779 -0.814 1.00 0.00 C ATOM 957 OXT PRO A 55 4.171 -18.425 -3.678 1.00 0.00 O ATOM 0 HA PRO A 55 3.025 -16.218 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.673 -16.087 -2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.226 -15.270 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.377 -13.883 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.090 -13.541 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.944 -15.098 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.771 -13.984 -0.559 1.00 0.00 H new TER 965 PRO A 55