USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 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= -1.89 K(o=-1.9,f=-3.8!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 178:sc= 1.27 USER MOD Set 2.2: A 20 THR OG1 : rot 100:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0661 (180deg=-0.734) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0526 (180deg=-0.347) 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= -0.0207 K(o=-0.021,f=-1.9!) USER MOD Single : A 9 ASN : amide:sc= -0.0183 K(o=-0.018,f=-0.65) USER MOD Single : A 12 GLN : amide:sc= -7.6! C(o=-7.6!,f=-4.3!) USER MOD Single : A 28 SER OG : rot -62:sc= 0.586 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.144) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= -0.266 (180deg=-1.38!) USER MOD Single : A 53 ASN : amide:sc= 0.403 K(o=0.4,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.735 6.164 -14.358 1.00 0.00 N ATOM 2 CA MET A 1 2.309 7.409 -13.659 1.00 0.00 C ATOM 3 C MET A 1 2.173 7.133 -12.160 1.00 0.00 C ATOM 4 O MET A 1 2.184 5.999 -11.725 1.00 0.00 O ATOM 5 CB MET A 1 0.962 7.878 -14.220 1.00 0.00 C ATOM 6 CG MET A 1 -0.034 6.715 -14.223 1.00 0.00 C ATOM 7 SD MET A 1 -1.711 7.360 -14.447 1.00 0.00 S ATOM 8 CE MET A 1 -1.485 7.998 -16.126 1.00 0.00 C ATOM 0 H1 MET A 1 2.331 6.148 -15.316 1.00 0.00 H new ATOM 0 H2 MET A 1 3.773 6.138 -14.420 1.00 0.00 H new ATOM 0 H3 MET A 1 2.399 5.335 -13.827 1.00 0.00 H new ATOM 0 HA MET A 1 3.056 8.187 -13.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.574 8.699 -13.618 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.093 8.259 -15.233 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.209 6.016 -15.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.033 6.162 -13.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.458 8.120 -16.603 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.978 8.962 -16.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.883 7.296 -16.704 1.00 0.00 H new ATOM 20 N TYR A 2 2.047 8.160 -11.365 1.00 0.00 N ATOM 21 CA TYR A 2 1.915 7.954 -9.894 1.00 0.00 C ATOM 22 C TYR A 2 0.492 7.471 -9.582 1.00 0.00 C ATOM 23 O TYR A 2 -0.482 8.043 -10.034 1.00 0.00 O ATOM 24 CB TYR A 2 2.209 9.294 -9.167 1.00 0.00 C ATOM 25 CG TYR A 2 3.416 9.156 -8.259 1.00 0.00 C ATOM 26 CD1 TYR A 2 4.702 9.390 -8.762 1.00 0.00 C ATOM 27 CD2 TYR A 2 3.245 8.795 -6.918 1.00 0.00 C ATOM 28 CE1 TYR A 2 5.815 9.262 -7.924 1.00 0.00 C ATOM 29 CE2 TYR A 2 4.359 8.668 -6.079 1.00 0.00 C ATOM 30 CZ TYR A 2 5.643 8.902 -6.582 1.00 0.00 C ATOM 31 OH TYR A 2 6.742 8.776 -5.756 1.00 0.00 O ATOM 0 H TYR A 2 2.030 9.133 -11.670 1.00 0.00 H new ATOM 0 HA TYR A 2 2.626 7.203 -9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.387 10.080 -9.901 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.340 9.595 -8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.834 9.669 -9.797 1.00 0.00 H new ATOM 0 HD2 TYR A 2 2.254 8.614 -6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 2 6.807 9.441 -8.312 1.00 0.00 H new ATOM 0 HE2 TYR A 2 4.227 8.389 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 2 6.448 8.522 -4.857 1.00 0.00 H new ATOM 41 N LEU A 3 0.369 6.422 -8.807 1.00 0.00 N ATOM 42 CA LEU A 3 -0.984 5.890 -8.453 1.00 0.00 C ATOM 43 C LEU A 3 -1.336 6.305 -7.024 1.00 0.00 C ATOM 44 O LEU A 3 -0.568 6.104 -6.103 1.00 0.00 O ATOM 45 CB LEU A 3 -0.968 4.361 -8.529 1.00 0.00 C ATOM 46 CG LEU A 3 -0.330 3.905 -9.842 1.00 0.00 C ATOM 47 CD1 LEU A 3 -0.499 2.390 -9.976 1.00 0.00 C ATOM 48 CD2 LEU A 3 -1.013 4.606 -11.024 1.00 0.00 C ATOM 0 H LEU A 3 1.152 5.908 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.720 6.290 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.412 3.953 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.985 3.975 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 3 0.730 4.161 -9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.047 2.055 -10.910 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.010 1.894 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.560 2.141 -9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.554 4.277 -11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.074 4.354 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.897 5.685 -10.923 1.00 0.00 H new ATOM 60 N THR A 4 -2.495 6.868 -6.827 1.00 0.00 N ATOM 61 CA THR A 4 -2.895 7.277 -5.454 1.00 0.00 C ATOM 62 C THR A 4 -3.308 6.031 -4.670 1.00 0.00 C ATOM 63 O THR A 4 -3.484 4.966 -5.229 1.00 0.00 O ATOM 64 CB THR A 4 -4.075 8.248 -5.530 1.00 0.00 C ATOM 65 OG1 THR A 4 -5.191 7.588 -6.113 1.00 0.00 O ATOM 66 CG2 THR A 4 -3.693 9.458 -6.385 1.00 0.00 C ATOM 0 H THR A 4 -3.181 7.062 -7.557 1.00 0.00 H new ATOM 0 HA THR A 4 -2.060 7.769 -4.956 1.00 0.00 H new ATOM 0 HB THR A 4 -4.333 8.585 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.949 8.207 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.536 10.147 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.837 9.964 -5.938 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.433 9.126 -7.390 1.00 0.00 H new ATOM 74 N LEU A 5 -3.469 6.149 -3.381 1.00 0.00 N ATOM 75 CA LEU A 5 -3.874 4.966 -2.567 1.00 0.00 C ATOM 76 C LEU A 5 -5.051 4.262 -3.247 1.00 0.00 C ATOM 77 O LEU A 5 -4.991 3.089 -3.558 1.00 0.00 O ATOM 78 CB LEU A 5 -4.293 5.442 -1.170 1.00 0.00 C ATOM 79 CG LEU A 5 -4.319 4.256 -0.185 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.499 4.783 1.245 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.474 3.295 -0.531 1.00 0.00 C ATOM 0 H LEU A 5 -3.338 7.013 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.040 4.270 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.599 6.203 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.278 5.906 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.377 3.713 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.518 3.945 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.670 5.445 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.437 5.333 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.479 2.463 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.422 3.829 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.339 2.913 -1.543 1.00 0.00 H new ATOM 93 N GLN A 6 -6.118 4.970 -3.479 1.00 0.00 N ATOM 94 CA GLN A 6 -7.303 4.347 -4.137 1.00 0.00 C ATOM 95 C GLN A 6 -6.855 3.529 -5.352 1.00 0.00 C ATOM 96 O GLN A 6 -7.164 2.360 -5.473 1.00 0.00 O ATOM 97 CB GLN A 6 -8.271 5.441 -4.595 1.00 0.00 C ATOM 98 CG GLN A 6 -8.732 6.258 -3.387 1.00 0.00 C ATOM 99 CD GLN A 6 -9.956 7.091 -3.771 1.00 0.00 C ATOM 100 OE1 GLN A 6 -10.400 7.053 -4.902 1.00 0.00 O ATOM 101 NE2 GLN A 6 -10.524 7.849 -2.873 1.00 0.00 N ATOM 0 H GLN A 6 -6.223 5.956 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.801 3.691 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.783 6.091 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.131 4.994 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.976 5.594 -2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.927 6.910 -3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.152 7.881 -1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.340 8.409 -3.120 1.00 0.00 H new ATOM 110 N GLU A 7 -6.133 4.136 -6.254 1.00 0.00 N ATOM 111 CA GLU A 7 -5.671 3.397 -7.464 1.00 0.00 C ATOM 112 C GLU A 7 -4.721 2.269 -7.053 1.00 0.00 C ATOM 113 O GLU A 7 -4.673 1.224 -7.673 1.00 0.00 O ATOM 114 CB GLU A 7 -4.939 4.364 -8.395 1.00 0.00 C ATOM 115 CG GLU A 7 -5.930 5.391 -8.946 1.00 0.00 C ATOM 116 CD GLU A 7 -6.838 4.719 -9.979 1.00 0.00 C ATOM 117 OE1 GLU A 7 -6.359 4.436 -11.064 1.00 0.00 O ATOM 118 OE2 GLU A 7 -7.997 4.500 -9.666 1.00 0.00 O ATOM 0 H GLU A 7 -5.843 5.113 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.532 2.970 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.138 4.869 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.474 3.815 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.528 5.806 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.393 6.222 -9.404 1.00 0.00 H new ATOM 125 N TRP A 8 -3.963 2.472 -6.011 1.00 0.00 N ATOM 126 CA TRP A 8 -3.015 1.422 -5.557 1.00 0.00 C ATOM 127 C TRP A 8 -3.786 0.132 -5.269 1.00 0.00 C ATOM 128 O TRP A 8 -3.474 -0.920 -5.791 1.00 0.00 O ATOM 129 CB TRP A 8 -2.325 1.911 -4.285 1.00 0.00 C ATOM 130 CG TRP A 8 -1.101 1.100 -4.013 1.00 0.00 C ATOM 131 CD1 TRP A 8 0.017 1.085 -4.776 1.00 0.00 C ATOM 132 CD2 TRP A 8 -0.851 0.195 -2.905 1.00 0.00 C ATOM 133 NE1 TRP A 8 0.937 0.228 -4.198 1.00 0.00 N ATOM 134 CE2 TRP A 8 0.447 -0.342 -3.046 1.00 0.00 C ATOM 135 CE3 TRP A 8 -1.619 -0.206 -1.802 1.00 0.00 C ATOM 136 CZ2 TRP A 8 0.969 -1.244 -2.126 1.00 0.00 C ATOM 137 CZ3 TRP A 8 -1.099 -1.120 -0.868 1.00 0.00 C ATOM 138 CH2 TRP A 8 0.197 -1.637 -1.033 1.00 0.00 C ATOM 0 H TRP A 8 -3.961 3.326 -5.453 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.271 1.224 -6.328 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.057 2.962 -4.390 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.011 1.840 -3.441 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.166 1.648 -5.685 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.865 0.042 -4.579 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.615 0.189 -1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.966 -1.638 -2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.697 -1.425 -0.022 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.595 -2.338 -0.314 1.00 0.00 H new ATOM 149 N ASN A 9 -4.794 0.207 -4.444 1.00 0.00 N ATOM 150 CA ASN A 9 -5.587 -1.013 -4.123 1.00 0.00 C ATOM 151 C ASN A 9 -6.450 -1.387 -5.329 1.00 0.00 C ATOM 152 O ASN A 9 -6.794 -2.535 -5.527 1.00 0.00 O ATOM 153 CB ASN A 9 -6.486 -0.732 -2.916 1.00 0.00 C ATOM 154 CG ASN A 9 -5.642 -0.727 -1.640 1.00 0.00 C ATOM 155 OD1 ASN A 9 -4.950 0.230 -1.359 1.00 0.00 O ATOM 156 ND2 ASN A 9 -5.671 -1.765 -0.847 1.00 0.00 N ATOM 0 H ASN A 9 -5.103 1.060 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.913 -1.837 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.986 0.229 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.266 -1.490 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.113 -1.770 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.252 -2.570 -1.082 1.00 0.00 H new ATOM 163 N ALA A 10 -6.804 -0.426 -6.140 1.00 0.00 N ATOM 164 CA ALA A 10 -7.643 -0.730 -7.333 1.00 0.00 C ATOM 165 C ALA A 10 -6.924 -1.754 -8.213 1.00 0.00 C ATOM 166 O ALA A 10 -7.535 -2.451 -8.998 1.00 0.00 O ATOM 167 CB ALA A 10 -7.887 0.553 -8.130 1.00 0.00 C ATOM 0 H ALA A 10 -6.548 0.555 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.600 -1.139 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.501 0.328 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.402 1.280 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.932 0.967 -8.455 1.00 0.00 H new ATOM 173 N ARG A 11 -5.624 -1.855 -8.089 1.00 0.00 N ATOM 174 CA ARG A 11 -4.868 -2.838 -8.921 1.00 0.00 C ATOM 175 C ARG A 11 -4.868 -4.197 -8.217 1.00 0.00 C ATOM 176 O ARG A 11 -4.729 -5.229 -8.843 1.00 0.00 O ATOM 177 CB ARG A 11 -3.424 -2.359 -9.103 1.00 0.00 C ATOM 178 CG ARG A 11 -3.406 -1.102 -9.979 1.00 0.00 C ATOM 179 CD ARG A 11 -1.976 -0.815 -10.438 1.00 0.00 C ATOM 180 NE ARG A 11 -1.082 -0.719 -9.248 1.00 0.00 N ATOM 181 CZ ARG A 11 0.214 -0.746 -9.402 1.00 0.00 C ATOM 182 NH1 ARG A 11 0.725 -0.829 -10.599 1.00 0.00 N ATOM 183 NH2 ARG A 11 0.997 -0.683 -8.360 1.00 0.00 N ATOM 0 H ARG A 11 -5.056 -1.300 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.342 -2.928 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.976 -2.145 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.825 -3.144 -9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.055 -1.240 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.796 -0.252 -9.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.630 -1.606 -11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.945 0.115 -11.006 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.483 -0.632 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.112 -0.873 -11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.737 -0.850 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.596 -0.613 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.010 -0.704 -8.481 1.00 0.00 H new ATOM 197 N GLN A 12 -5.034 -4.209 -6.922 1.00 0.00 N ATOM 198 CA GLN A 12 -5.054 -5.504 -6.187 1.00 0.00 C ATOM 199 C GLN A 12 -6.382 -6.210 -6.473 1.00 0.00 C ATOM 200 O GLN A 12 -7.440 -5.619 -6.390 1.00 0.00 O ATOM 201 CB GLN A 12 -4.920 -5.242 -4.681 1.00 0.00 C ATOM 202 CG GLN A 12 -3.446 -5.026 -4.319 1.00 0.00 C ATOM 203 CD GLN A 12 -2.917 -3.781 -5.032 1.00 0.00 C ATOM 204 OE1 GLN A 12 -2.787 -2.733 -4.431 1.00 0.00 O ATOM 205 NE2 GLN A 12 -2.603 -3.852 -6.297 1.00 0.00 N ATOM 0 H GLN A 12 -5.156 -3.378 -6.343 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.224 -6.131 -6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.504 -4.365 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.322 -6.085 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.339 -4.912 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.859 -5.898 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.712 -4.732 -6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.248 -3.027 -6.781 1.00 0.00 H new ATOM 214 N ARG A 13 -6.335 -7.467 -6.814 1.00 0.00 N ATOM 215 CA ARG A 13 -7.596 -8.203 -7.108 1.00 0.00 C ATOM 216 C ARG A 13 -8.292 -8.578 -5.798 1.00 0.00 C ATOM 217 O ARG A 13 -9.368 -9.143 -5.799 1.00 0.00 O ATOM 218 CB ARG A 13 -7.275 -9.474 -7.897 1.00 0.00 C ATOM 219 CG ARG A 13 -6.335 -10.367 -7.074 1.00 0.00 C ATOM 220 CD ARG A 13 -5.813 -11.540 -7.935 1.00 0.00 C ATOM 221 NE ARG A 13 -5.889 -12.819 -7.156 1.00 0.00 N ATOM 222 CZ ARG A 13 -5.451 -12.893 -5.926 1.00 0.00 C ATOM 223 NH1 ARG A 13 -4.841 -11.879 -5.378 1.00 0.00 N ATOM 224 NH2 ARG A 13 -5.599 -14.001 -5.251 1.00 0.00 N ATOM 0 H ARG A 13 -5.480 -8.016 -6.902 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.255 -7.566 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.194 -10.012 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.808 -9.216 -8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.496 -9.778 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.862 -10.754 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.404 -11.624 -8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.784 -11.350 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.290 -13.648 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.702 -11.019 -5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.503 -11.945 -4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.055 -14.805 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.259 -14.063 -4.291 1.00 0.00 H new ATOM 238 N ARG A 14 -7.689 -8.276 -4.678 1.00 0.00 N ATOM 239 CA ARG A 14 -8.327 -8.624 -3.372 1.00 0.00 C ATOM 240 C ARG A 14 -7.880 -7.634 -2.293 1.00 0.00 C ATOM 241 O ARG A 14 -7.161 -7.985 -1.379 1.00 0.00 O ATOM 242 CB ARG A 14 -7.908 -10.039 -2.967 1.00 0.00 C ATOM 243 CG ARG A 14 -8.733 -10.496 -1.760 1.00 0.00 C ATOM 244 CD ARG A 14 -8.529 -11.995 -1.543 1.00 0.00 C ATOM 245 NE ARG A 14 -9.338 -12.443 -0.375 1.00 0.00 N ATOM 246 CZ ARG A 14 -9.567 -13.714 -0.191 1.00 0.00 C ATOM 247 NH1 ARG A 14 -9.094 -14.592 -1.032 1.00 0.00 N ATOM 248 NH2 ARG A 14 -10.271 -14.108 0.835 1.00 0.00 N ATOM 0 H ARG A 14 -6.786 -7.806 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.411 -8.575 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.055 -10.725 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.846 -10.058 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.431 -9.944 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.789 -10.282 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.824 -12.546 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.474 -12.208 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.712 -11.757 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.544 -14.285 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.274 -15.586 -0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.642 -13.422 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.450 -15.102 0.979 1.00 0.00 H new ATOM 262 N PRO A 15 -8.305 -6.404 -2.398 1.00 0.00 N ATOM 263 CA PRO A 15 -7.953 -5.338 -1.420 1.00 0.00 C ATOM 264 C PRO A 15 -8.876 -5.353 -0.194 1.00 0.00 C ATOM 265 O PRO A 15 -9.622 -6.288 0.022 1.00 0.00 O ATOM 266 CB PRO A 15 -8.153 -4.061 -2.234 1.00 0.00 C ATOM 267 CG PRO A 15 -9.292 -4.383 -3.148 1.00 0.00 C ATOM 268 CD PRO A 15 -9.173 -5.883 -3.470 1.00 0.00 C ATOM 0 HA PRO A 15 -6.948 -5.452 -1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.386 -3.212 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.255 -3.801 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.247 -4.162 -2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.242 -3.784 -4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.148 -6.371 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.735 -6.047 -4.455 1.00 0.00 H new ATOM 276 N ARG A 16 -8.834 -4.319 0.604 1.00 0.00 N ATOM 277 CA ARG A 16 -9.709 -4.262 1.813 1.00 0.00 C ATOM 278 C ARG A 16 -9.997 -2.797 2.157 1.00 0.00 C ATOM 279 O ARG A 16 -9.765 -1.906 1.363 1.00 0.00 O ATOM 280 CB ARG A 16 -9.000 -4.941 2.995 1.00 0.00 C ATOM 281 CG ARG A 16 -9.112 -6.465 2.869 1.00 0.00 C ATOM 282 CD ARG A 16 -8.588 -7.117 4.151 1.00 0.00 C ATOM 283 NE ARG A 16 -8.585 -8.612 4.004 1.00 0.00 N ATOM 284 CZ ARG A 16 -9.678 -9.284 3.753 1.00 0.00 C ATOM 285 NH1 ARG A 16 -10.840 -8.691 3.776 1.00 0.00 N ATOM 286 NH2 ARG A 16 -9.611 -10.567 3.525 1.00 0.00 N ATOM 0 H ARG A 16 -8.229 -3.508 0.470 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.646 -4.781 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.951 -4.646 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.445 -4.612 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.150 -6.752 2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.540 -6.814 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.579 -6.762 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.212 -6.828 4.997 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.705 -9.118 4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.900 -7.696 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.688 -9.223 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.708 -11.042 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.461 -11.095 3.329 1.00 0.00 H new ATOM 300 N SER A 17 -10.502 -2.541 3.333 1.00 0.00 N ATOM 301 CA SER A 17 -10.807 -1.136 3.726 1.00 0.00 C ATOM 302 C SER A 17 -9.529 -0.297 3.680 1.00 0.00 C ATOM 303 O SER A 17 -8.429 -0.811 3.742 1.00 0.00 O ATOM 304 CB SER A 17 -11.378 -1.119 5.146 1.00 0.00 C ATOM 305 OG SER A 17 -10.319 -1.289 6.080 1.00 0.00 O ATOM 0 H SER A 17 -10.717 -3.245 4.039 1.00 0.00 H new ATOM 0 HA SER A 17 -11.536 -0.717 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.894 -0.177 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.114 -1.914 5.264 1.00 0.00 H new ATOM 0 HG SER A 17 -10.677 -1.245 6.991 1.00 0.00 H new ATOM 311 N LEU A 18 -9.667 0.994 3.573 1.00 0.00 N ATOM 312 CA LEU A 18 -8.464 1.867 3.524 1.00 0.00 C ATOM 313 C LEU A 18 -7.842 1.947 4.917 1.00 0.00 C ATOM 314 O LEU A 18 -6.639 2.031 5.065 1.00 0.00 O ATOM 315 CB LEU A 18 -8.875 3.264 3.052 1.00 0.00 C ATOM 316 CG LEU A 18 -9.819 3.148 1.850 1.00 0.00 C ATOM 317 CD1 LEU A 18 -10.005 4.526 1.215 1.00 0.00 C ATOM 318 CD2 LEU A 18 -9.227 2.185 0.811 1.00 0.00 C ATOM 0 H LEU A 18 -10.561 1.482 3.517 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.732 1.454 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.367 3.802 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.991 3.840 2.778 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.782 2.765 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.676 4.445 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.432 5.210 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.039 4.907 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.903 2.108 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.261 2.562 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.095 1.201 1.261 1.00 0.00 H new ATOM 330 N GLU A 19 -8.649 1.904 5.942 1.00 0.00 N ATOM 331 CA GLU A 19 -8.093 1.957 7.322 1.00 0.00 C ATOM 332 C GLU A 19 -7.329 0.664 7.580 1.00 0.00 C ATOM 333 O GLU A 19 -6.384 0.625 8.344 1.00 0.00 O ATOM 334 CB GLU A 19 -9.231 2.097 8.335 1.00 0.00 C ATOM 335 CG GLU A 19 -10.025 3.372 8.042 1.00 0.00 C ATOM 336 CD GLU A 19 -11.022 3.622 9.175 1.00 0.00 C ATOM 337 OE1 GLU A 19 -10.578 3.885 10.280 1.00 0.00 O ATOM 338 OE2 GLU A 19 -12.212 3.546 8.917 1.00 0.00 O ATOM 0 H GLU A 19 -9.665 1.835 5.883 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.427 2.814 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.887 1.228 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.828 2.132 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.348 4.221 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.553 3.275 7.093 1.00 0.00 H new ATOM 345 N THR A 20 -7.718 -0.393 6.927 1.00 0.00 N ATOM 346 CA THR A 20 -7.000 -1.677 7.111 1.00 0.00 C ATOM 347 C THR A 20 -5.595 -1.492 6.538 1.00 0.00 C ATOM 348 O THR A 20 -4.622 -1.989 7.070 1.00 0.00 O ATOM 349 CB THR A 20 -7.755 -2.790 6.367 1.00 0.00 C ATOM 350 OG1 THR A 20 -8.857 -3.215 7.157 1.00 0.00 O ATOM 351 CG2 THR A 20 -6.833 -3.983 6.100 1.00 0.00 C ATOM 0 H THR A 20 -8.502 -0.421 6.275 1.00 0.00 H new ATOM 0 HA THR A 20 -6.940 -1.958 8.162 1.00 0.00 H new ATOM 0 HB THR A 20 -8.106 -2.399 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.677 -2.790 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.387 -4.760 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.989 -3.661 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.466 -4.378 7.047 1.00 0.00 H new ATOM 359 N VAL A 21 -5.486 -0.757 5.464 1.00 0.00 N ATOM 360 CA VAL A 21 -4.149 -0.512 4.865 1.00 0.00 C ATOM 361 C VAL A 21 -3.314 0.317 5.846 1.00 0.00 C ATOM 362 O VAL A 21 -2.133 0.093 6.011 1.00 0.00 O ATOM 363 CB VAL A 21 -4.306 0.247 3.542 1.00 0.00 C ATOM 364 CG1 VAL A 21 -2.946 0.782 3.082 1.00 0.00 C ATOM 365 CG2 VAL A 21 -4.861 -0.704 2.478 1.00 0.00 C ATOM 0 H VAL A 21 -6.267 -0.317 4.978 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.651 -1.461 4.668 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.990 1.083 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.066 1.320 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.546 1.458 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.257 -0.050 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.974 -0.169 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.173 -1.538 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.831 -1.083 2.799 1.00 0.00 H new ATOM 375 N ARG A 22 -3.915 1.273 6.505 1.00 0.00 N ATOM 376 CA ARG A 22 -3.131 2.094 7.468 1.00 0.00 C ATOM 377 C ARG A 22 -2.413 1.159 8.443 1.00 0.00 C ATOM 378 O ARG A 22 -1.282 1.391 8.820 1.00 0.00 O ATOM 379 CB ARG A 22 -4.073 3.023 8.236 1.00 0.00 C ATOM 380 CG ARG A 22 -4.550 4.155 7.321 1.00 0.00 C ATOM 381 CD ARG A 22 -5.267 5.218 8.157 1.00 0.00 C ATOM 382 NE ARG A 22 -6.014 4.559 9.266 1.00 0.00 N ATOM 383 CZ ARG A 22 -6.450 5.270 10.269 1.00 0.00 C ATOM 384 NH1 ARG A 22 -6.235 6.557 10.299 1.00 0.00 N ATOM 385 NH2 ARG A 22 -7.102 4.695 11.242 1.00 0.00 N ATOM 0 H ARG A 22 -4.902 1.517 6.419 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.399 2.698 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.929 2.460 8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.561 3.437 9.105 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.701 4.598 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.222 3.762 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.544 5.926 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.953 5.787 7.530 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.184 3.554 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.726 7.007 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.576 7.113 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.271 3.689 11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.443 5.251 12.026 1.00 0.00 H new ATOM 399 N ARG A 23 -3.054 0.089 8.837 1.00 0.00 N ATOM 400 CA ARG A 23 -2.401 -0.869 9.765 1.00 0.00 C ATOM 401 C ARG A 23 -1.226 -1.523 9.033 1.00 0.00 C ATOM 402 O ARG A 23 -0.177 -1.754 9.599 1.00 0.00 O ATOM 403 CB ARG A 23 -3.425 -1.947 10.188 1.00 0.00 C ATOM 404 CG ARG A 23 -4.117 -1.551 11.503 1.00 0.00 C ATOM 405 CD ARG A 23 -4.977 -0.292 11.310 1.00 0.00 C ATOM 406 NE ARG A 23 -4.137 0.915 11.553 1.00 0.00 N ATOM 407 CZ ARG A 23 -4.594 2.101 11.260 1.00 0.00 C ATOM 408 NH1 ARG A 23 -5.806 2.234 10.794 1.00 0.00 N ATOM 409 NH2 ARG A 23 -3.846 3.155 11.446 1.00 0.00 N ATOM 0 H ARG A 23 -4.002 -0.159 8.553 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.041 -0.354 10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.170 -2.076 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.922 -2.906 10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.741 -2.373 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.367 -1.370 12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.387 -0.268 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.823 -0.306 11.997 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.203 0.813 11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.394 1.411 10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.165 3.161 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.903 3.051 11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.205 4.082 11.216 1.00 0.00 H new ATOM 423 N TRP A 24 -1.401 -1.828 7.774 1.00 0.00 N ATOM 424 CA TRP A 24 -0.303 -2.473 7.008 1.00 0.00 C ATOM 425 C TRP A 24 0.948 -1.599 7.073 1.00 0.00 C ATOM 426 O TRP A 24 2.021 -2.053 7.415 1.00 0.00 O ATOM 427 CB TRP A 24 -0.720 -2.650 5.546 1.00 0.00 C ATOM 428 CG TRP A 24 -1.956 -3.493 5.443 1.00 0.00 C ATOM 429 CD1 TRP A 24 -2.612 -4.081 6.476 1.00 0.00 C ATOM 430 CD2 TRP A 24 -2.692 -3.851 4.240 1.00 0.00 C ATOM 431 NE1 TRP A 24 -3.700 -4.774 5.976 1.00 0.00 N ATOM 432 CE2 TRP A 24 -3.791 -4.662 4.603 1.00 0.00 C ATOM 433 CE3 TRP A 24 -2.509 -3.550 2.881 1.00 0.00 C ATOM 434 CZ2 TRP A 24 -4.679 -5.159 3.649 1.00 0.00 C ATOM 435 CZ3 TRP A 24 -3.402 -4.048 1.916 1.00 0.00 C ATOM 436 CH2 TRP A 24 -4.484 -4.851 2.301 1.00 0.00 C ATOM 0 H TRP A 24 -2.257 -1.657 7.247 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.092 -3.450 7.444 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.901 -1.675 5.094 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.091 -3.115 4.986 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.331 -4.018 7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.355 -5.303 6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.678 -2.932 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.511 -5.778 3.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.253 -3.811 0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.167 -5.231 1.556 1.00 0.00 H new ATOM 447 N VAL A 25 0.819 -0.344 6.738 1.00 0.00 N ATOM 448 CA VAL A 25 2.001 0.564 6.772 1.00 0.00 C ATOM 449 C VAL A 25 2.593 0.584 8.182 1.00 0.00 C ATOM 450 O VAL A 25 3.786 0.451 8.366 1.00 0.00 O ATOM 451 CB VAL A 25 1.566 1.978 6.384 1.00 0.00 C ATOM 452 CG1 VAL A 25 2.768 2.922 6.460 1.00 0.00 C ATOM 453 CG2 VAL A 25 1.014 1.969 4.957 1.00 0.00 C ATOM 0 H VAL A 25 -0.054 0.092 6.442 1.00 0.00 H new ATOM 0 HA VAL A 25 2.753 0.206 6.069 1.00 0.00 H new ATOM 0 HB VAL A 25 0.792 2.320 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.457 3.930 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.161 2.930 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.543 2.580 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.704 2.977 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.787 1.626 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.157 1.298 4.903 1.00 0.00 H new ATOM 463 N ARG A 26 1.772 0.750 9.183 1.00 0.00 N ATOM 464 CA ARG A 26 2.297 0.776 10.577 1.00 0.00 C ATOM 465 C ARG A 26 3.168 -0.459 10.814 1.00 0.00 C ATOM 466 O ARG A 26 4.245 -0.375 11.370 1.00 0.00 O ATOM 467 CB ARG A 26 1.125 0.773 11.564 1.00 0.00 C ATOM 468 CG ARG A 26 0.483 2.164 11.608 1.00 0.00 C ATOM 469 CD ARG A 26 -0.915 2.066 12.230 1.00 0.00 C ATOM 470 NE ARG A 26 -0.916 1.008 13.280 1.00 0.00 N ATOM 471 CZ ARG A 26 -1.899 0.939 14.135 1.00 0.00 C ATOM 472 NH1 ARG A 26 -2.884 1.793 14.069 1.00 0.00 N ATOM 473 NH2 ARG A 26 -1.898 0.015 15.057 1.00 0.00 N ATOM 0 H ARG A 26 0.763 0.868 9.096 1.00 0.00 H new ATOM 0 HA ARG A 26 2.894 1.676 10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.386 0.030 11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.474 0.492 12.557 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.104 2.844 12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.416 2.577 10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.200 3.025 12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.652 1.832 11.461 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.148 0.338 13.330 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.886 2.515 13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.652 1.738 14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.129 -0.653 15.109 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.666 -0.039 15.726 1.00 0.00 H new ATOM 487 N GLU A 27 2.709 -1.604 10.393 1.00 0.00 N ATOM 488 CA GLU A 27 3.507 -2.848 10.589 1.00 0.00 C ATOM 489 C GLU A 27 4.618 -2.911 9.536 1.00 0.00 C ATOM 490 O GLU A 27 5.306 -3.904 9.403 1.00 0.00 O ATOM 491 CB GLU A 27 2.588 -4.068 10.448 1.00 0.00 C ATOM 492 CG GLU A 27 1.787 -4.264 11.738 1.00 0.00 C ATOM 493 CD GLU A 27 0.930 -5.526 11.620 1.00 0.00 C ATOM 494 OE1 GLU A 27 1.438 -6.593 11.922 1.00 0.00 O ATOM 495 OE2 GLU A 27 -0.219 -5.403 11.231 1.00 0.00 O ATOM 0 H GLU A 27 1.814 -1.733 9.921 1.00 0.00 H new ATOM 0 HA GLU A 27 3.954 -2.846 11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.910 -3.929 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.180 -4.959 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.463 -4.349 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.153 -3.397 11.920 1.00 0.00 H new ATOM 502 N SER A 28 4.801 -1.856 8.790 1.00 0.00 N ATOM 503 CA SER A 28 5.868 -1.850 7.750 1.00 0.00 C ATOM 504 C SER A 28 5.690 -3.051 6.818 1.00 0.00 C ATOM 505 O SER A 28 6.633 -3.747 6.500 1.00 0.00 O ATOM 506 CB SER A 28 7.236 -1.930 8.428 1.00 0.00 C ATOM 507 OG SER A 28 7.552 -3.292 8.685 1.00 0.00 O ATOM 0 H SER A 28 4.256 -0.996 8.856 1.00 0.00 H new ATOM 0 HA SER A 28 5.800 -0.931 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.998 -1.482 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.227 -1.364 9.360 1.00 0.00 H new ATOM 0 HG SER A 28 6.889 -3.672 9.298 1.00 0.00 H new ATOM 513 N ARG A 29 4.487 -3.298 6.373 1.00 0.00 N ATOM 514 CA ARG A 29 4.244 -4.452 5.456 1.00 0.00 C ATOM 515 C ARG A 29 4.399 -3.983 4.010 1.00 0.00 C ATOM 516 O ARG A 29 4.774 -4.739 3.142 1.00 0.00 O ATOM 517 CB ARG A 29 2.823 -4.985 5.669 1.00 0.00 C ATOM 518 CG ARG A 29 2.624 -5.390 7.139 1.00 0.00 C ATOM 519 CD ARG A 29 3.203 -6.788 7.390 1.00 0.00 C ATOM 520 NE ARG A 29 2.852 -7.228 8.770 1.00 0.00 N ATOM 521 CZ ARG A 29 2.975 -8.482 9.107 1.00 0.00 C ATOM 522 NH1 ARG A 29 3.410 -9.351 8.236 1.00 0.00 N ATOM 523 NH2 ARG A 29 2.663 -8.868 10.313 1.00 0.00 N ATOM 0 H ARG A 29 3.659 -2.749 6.605 1.00 0.00 H new ATOM 0 HA ARG A 29 4.962 -5.245 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.095 -4.222 5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.647 -5.843 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.110 -4.665 7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.562 -5.379 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.808 -7.494 6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.286 -6.773 7.265 1.00 0.00 H new ATOM 0 HE ARG A 29 2.515 -6.548 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.654 -9.049 7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.507 -10.332 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.322 -8.189 10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.760 -9.849 10.576 1.00 0.00 H new ATOM 537 N ILE A 30 4.117 -2.735 3.747 1.00 0.00 N ATOM 538 CA ILE A 30 4.256 -2.207 2.354 1.00 0.00 C ATOM 539 C ILE A 30 5.621 -1.539 2.219 1.00 0.00 C ATOM 540 O ILE A 30 6.192 -1.079 3.187 1.00 0.00 O ATOM 541 CB ILE A 30 3.159 -1.174 2.091 1.00 0.00 C ATOM 542 CG1 ILE A 30 1.805 -1.760 2.490 1.00 0.00 C ATOM 543 CG2 ILE A 30 3.132 -0.809 0.602 1.00 0.00 C ATOM 544 CD1 ILE A 30 0.717 -0.711 2.271 1.00 0.00 C ATOM 0 H ILE A 30 3.796 -2.055 4.436 1.00 0.00 H new ATOM 0 HA ILE A 30 4.165 -3.022 1.635 1.00 0.00 H new ATOM 0 HB ILE A 30 3.362 -0.278 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.592 -2.650 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.823 -2.069 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.348 -0.073 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.096 -0.391 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.932 -1.703 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.250 -1.125 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.929 0.166 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.695 -0.424 1.220 1.00 0.00 H new ATOM 556 N PHE A 31 6.153 -1.470 1.030 1.00 0.00 N ATOM 557 CA PHE A 31 7.481 -0.814 0.867 1.00 0.00 C ATOM 558 C PHE A 31 7.760 -0.552 -0.629 1.00 0.00 C ATOM 559 O PHE A 31 7.566 -1.433 -1.442 1.00 0.00 O ATOM 560 CB PHE A 31 8.568 -1.735 1.425 1.00 0.00 C ATOM 561 CG PHE A 31 9.852 -0.955 1.592 1.00 0.00 C ATOM 562 CD1 PHE A 31 10.021 -0.118 2.701 1.00 0.00 C ATOM 563 CD2 PHE A 31 10.870 -1.067 0.637 1.00 0.00 C ATOM 564 CE1 PHE A 31 11.209 0.606 2.856 1.00 0.00 C ATOM 565 CE2 PHE A 31 12.058 -0.344 0.793 1.00 0.00 C ATOM 566 CZ PHE A 31 12.227 0.493 1.902 1.00 0.00 C ATOM 0 H PHE A 31 5.733 -1.834 0.175 1.00 0.00 H new ATOM 0 HA PHE A 31 7.481 0.134 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.253 -2.148 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.727 -2.578 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.235 -0.031 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.738 -1.711 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.340 1.252 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.844 -0.432 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.143 1.052 2.022 1.00 0.00 H new ATOM 576 N PRO A 32 8.223 0.631 -1.015 1.00 0.00 N ATOM 577 CA PRO A 32 8.500 1.793 -0.101 1.00 0.00 C ATOM 578 C PRO A 32 7.198 2.456 0.378 1.00 0.00 C ATOM 579 O PRO A 32 6.153 2.277 -0.217 1.00 0.00 O ATOM 580 CB PRO A 32 9.308 2.757 -0.982 1.00 0.00 C ATOM 581 CG PRO A 32 8.855 2.468 -2.375 1.00 0.00 C ATOM 582 CD PRO A 32 8.538 0.971 -2.415 1.00 0.00 C ATOM 0 HA PRO A 32 9.026 1.494 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.117 3.795 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.380 2.591 -0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.976 3.060 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.630 2.722 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.697 0.759 -3.075 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.386 0.394 -2.784 1.00 0.00 H new ATOM 590 N PRO A 33 7.255 3.215 1.442 1.00 0.00 N ATOM 591 CA PRO A 33 6.054 3.911 1.997 1.00 0.00 C ATOM 592 C PRO A 33 5.596 5.072 1.097 1.00 0.00 C ATOM 593 O PRO A 33 6.349 5.560 0.277 1.00 0.00 O ATOM 594 CB PRO A 33 6.536 4.425 3.362 1.00 0.00 C ATOM 595 CG PRO A 33 8.016 4.587 3.211 1.00 0.00 C ATOM 596 CD PRO A 33 8.466 3.496 2.235 1.00 0.00 C ATOM 0 HA PRO A 33 5.188 3.252 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.059 5.371 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.295 3.720 4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.262 5.578 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.519 4.482 4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.287 3.837 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.815 2.607 2.761 1.00 0.00 H new ATOM 604 N PRO A 34 4.368 5.510 1.248 1.00 0.00 N ATOM 605 CA PRO A 34 3.806 6.631 0.435 1.00 0.00 C ATOM 606 C PRO A 34 4.342 7.998 0.882 1.00 0.00 C ATOM 607 O PRO A 34 4.996 8.119 1.898 1.00 0.00 O ATOM 608 CB PRO A 34 2.297 6.530 0.689 1.00 0.00 C ATOM 609 CG PRO A 34 2.188 5.945 2.061 1.00 0.00 C ATOM 610 CD PRO A 34 3.376 4.988 2.208 1.00 0.00 C ATOM 0 HA PRO A 34 4.078 6.552 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.819 7.508 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.811 5.896 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.219 6.725 2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.243 5.416 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.766 4.987 3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.094 3.961 1.974 1.00 0.00 H new ATOM 618 N VAL A 35 4.061 9.027 0.128 1.00 0.00 N ATOM 619 CA VAL A 35 4.540 10.388 0.502 1.00 0.00 C ATOM 620 C VAL A 35 3.524 11.040 1.442 1.00 0.00 C ATOM 621 O VAL A 35 2.383 11.249 1.083 1.00 0.00 O ATOM 622 CB VAL A 35 4.686 11.237 -0.770 1.00 0.00 C ATOM 623 CG1 VAL A 35 4.878 12.715 -0.403 1.00 0.00 C ATOM 624 CG2 VAL A 35 5.898 10.749 -1.568 1.00 0.00 C ATOM 0 H VAL A 35 3.518 8.982 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 35 5.504 10.317 1.005 1.00 0.00 H new ATOM 0 HB VAL A 35 3.782 11.136 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.980 13.306 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.014 13.065 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.777 12.825 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.005 11.349 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.797 10.846 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.756 9.704 -1.842 1.00 0.00 H new ATOM 634 N LYS A 36 3.930 11.371 2.637 1.00 0.00 N ATOM 635 CA LYS A 36 2.994 12.015 3.590 1.00 0.00 C ATOM 636 C LYS A 36 2.781 13.471 3.158 1.00 0.00 C ATOM 637 O LYS A 36 3.314 14.393 3.743 1.00 0.00 O ATOM 638 CB LYS A 36 3.596 11.956 5.008 1.00 0.00 C ATOM 639 CG LYS A 36 4.404 10.648 5.201 1.00 0.00 C ATOM 640 CD LYS A 36 5.901 10.901 4.945 1.00 0.00 C ATOM 641 CE LYS A 36 6.601 9.583 4.601 1.00 0.00 C ATOM 642 NZ LYS A 36 6.484 8.646 5.754 1.00 0.00 N ATOM 0 H LYS A 36 4.874 11.221 2.992 1.00 0.00 H new ATOM 0 HA LYS A 36 2.035 11.497 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.243 12.818 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.800 12.011 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.260 10.270 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.036 9.881 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.024 11.612 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.360 11.347 5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.152 9.141 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.651 9.765 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.135 7.846 5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.728 9.145 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.508 8.292 5.816 1.00 0.00 H new ATOM 656 N ASP A 37 2.018 13.677 2.122 1.00 0.00 N ATOM 657 CA ASP A 37 1.783 15.065 1.634 1.00 0.00 C ATOM 658 C ASP A 37 1.008 15.865 2.689 1.00 0.00 C ATOM 659 O ASP A 37 -0.121 16.265 2.482 1.00 0.00 O ATOM 660 CB ASP A 37 0.994 15.014 0.311 1.00 0.00 C ATOM 661 CG ASP A 37 1.341 13.728 -0.440 1.00 0.00 C ATOM 662 OD1 ASP A 37 0.880 12.682 -0.020 1.00 0.00 O ATOM 663 OD2 ASP A 37 2.061 13.813 -1.422 1.00 0.00 O ATOM 0 H ASP A 37 1.546 12.944 1.591 1.00 0.00 H new ATOM 0 HA ASP A 37 2.739 15.558 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.077 15.053 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.235 15.882 -0.302 1.00 0.00 H new ATOM 668 N GLY A 38 1.613 16.110 3.818 1.00 0.00 N ATOM 669 CA GLY A 38 0.921 16.891 4.880 1.00 0.00 C ATOM 670 C GLY A 38 -0.238 16.077 5.459 1.00 0.00 C ATOM 671 O GLY A 38 -0.358 15.921 6.659 1.00 0.00 O ATOM 0 H GLY A 38 2.557 15.803 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.626 17.149 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.547 17.828 4.468 1.00 0.00 H new ATOM 675 N ARG A 39 -1.103 15.562 4.621 1.00 0.00 N ATOM 676 CA ARG A 39 -2.264 14.767 5.135 1.00 0.00 C ATOM 677 C ARG A 39 -2.609 13.638 4.157 1.00 0.00 C ATOM 678 O ARG A 39 -3.150 12.621 4.543 1.00 0.00 O ATOM 679 CB ARG A 39 -3.479 15.686 5.290 1.00 0.00 C ATOM 680 CG ARG A 39 -3.057 16.985 5.980 1.00 0.00 C ATOM 681 CD ARG A 39 -4.294 17.835 6.279 1.00 0.00 C ATOM 682 NE ARG A 39 -3.870 19.226 6.604 1.00 0.00 N ATOM 683 CZ ARG A 39 -4.741 20.197 6.589 1.00 0.00 C ATOM 684 NH1 ARG A 39 -5.987 19.952 6.287 1.00 0.00 N ATOM 685 NH2 ARG A 39 -4.365 21.414 6.875 1.00 0.00 N ATOM 0 H ARG A 39 -1.057 15.656 3.606 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.997 14.335 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.909 15.905 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.253 15.187 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.526 16.761 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.368 17.539 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.963 17.838 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.850 17.408 7.114 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.896 19.419 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.280 19.001 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.668 20.711 6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.391 21.605 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.045 22.174 6.864 1.00 0.00 H new ATOM 699 N GLU A 40 -2.313 13.804 2.894 1.00 0.00 N ATOM 700 CA GLU A 40 -2.640 12.731 1.904 1.00 0.00 C ATOM 701 C GLU A 40 -1.497 11.718 1.843 1.00 0.00 C ATOM 702 O GLU A 40 -0.501 11.836 2.527 1.00 0.00 O ATOM 703 CB GLU A 40 -2.857 13.358 0.512 1.00 0.00 C ATOM 704 CG GLU A 40 -4.337 13.691 0.316 1.00 0.00 C ATOM 705 CD GLU A 40 -4.499 14.657 -0.860 1.00 0.00 C ATOM 706 OE1 GLU A 40 -3.806 15.660 -0.876 1.00 0.00 O ATOM 707 OE2 GLU A 40 -5.315 14.376 -1.723 1.00 0.00 O ATOM 0 H GLU A 40 -1.861 14.632 2.505 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.552 12.222 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.256 14.262 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.525 12.668 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.903 12.778 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.742 14.138 1.224 1.00 0.00 H new ATOM 714 N TYR A 41 -1.651 10.718 1.018 1.00 0.00 N ATOM 715 CA TYR A 41 -0.595 9.672 0.890 1.00 0.00 C ATOM 716 C TYR A 41 -0.545 9.172 -0.554 1.00 0.00 C ATOM 717 O TYR A 41 -1.420 8.461 -1.007 1.00 0.00 O ATOM 718 CB TYR A 41 -0.932 8.507 1.822 1.00 0.00 C ATOM 719 CG TYR A 41 -0.693 8.929 3.254 1.00 0.00 C ATOM 720 CD1 TYR A 41 0.608 9.205 3.692 1.00 0.00 C ATOM 721 CD2 TYR A 41 -1.770 9.048 4.143 1.00 0.00 C ATOM 722 CE1 TYR A 41 0.833 9.599 5.016 1.00 0.00 C ATOM 723 CE2 TYR A 41 -1.545 9.442 5.468 1.00 0.00 C ATOM 724 CZ TYR A 41 -0.243 9.717 5.905 1.00 0.00 C ATOM 725 OH TYR A 41 -0.020 10.105 7.210 1.00 0.00 O ATOM 0 H TYR A 41 -2.468 10.580 0.423 1.00 0.00 H new ATOM 0 HA TYR A 41 0.374 10.091 1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.971 8.207 1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.316 7.641 1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.438 9.114 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.774 8.836 3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.837 9.812 5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.375 9.534 6.153 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.873 10.138 7.692 1.00 0.00 H new ATOM 735 N LEU A 42 0.479 9.535 -1.282 1.00 0.00 N ATOM 736 CA LEU A 42 0.593 9.077 -2.701 1.00 0.00 C ATOM 737 C LEU A 42 1.332 7.735 -2.732 1.00 0.00 C ATOM 738 O LEU A 42 2.438 7.612 -2.245 1.00 0.00 O ATOM 739 CB LEU A 42 1.372 10.129 -3.518 1.00 0.00 C ATOM 740 CG LEU A 42 0.406 11.160 -4.114 1.00 0.00 C ATOM 741 CD1 LEU A 42 -0.404 11.815 -2.994 1.00 0.00 C ATOM 742 CD2 LEU A 42 1.203 12.232 -4.860 1.00 0.00 C ATOM 0 H LEU A 42 1.242 10.129 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.399 8.955 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.100 10.629 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.930 9.640 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.273 10.661 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.089 12.547 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.973 11.052 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.272 12.313 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.518 12.966 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.882 12.728 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.778 11.767 -5.661 1.00 0.00 H new ATOM 754 N PHE A 43 0.724 6.727 -3.299 1.00 0.00 N ATOM 755 CA PHE A 43 1.379 5.387 -3.364 1.00 0.00 C ATOM 756 C PHE A 43 2.112 5.247 -4.702 1.00 0.00 C ATOM 757 O PHE A 43 1.520 4.941 -5.718 1.00 0.00 O ATOM 758 CB PHE A 43 0.299 4.296 -3.234 1.00 0.00 C ATOM 759 CG PHE A 43 0.042 4.002 -1.772 1.00 0.00 C ATOM 760 CD1 PHE A 43 -0.792 4.841 -1.018 1.00 0.00 C ATOM 761 CD2 PHE A 43 0.656 2.898 -1.166 1.00 0.00 C ATOM 762 CE1 PHE A 43 -1.009 4.573 0.338 1.00 0.00 C ATOM 763 CE2 PHE A 43 0.433 2.631 0.190 1.00 0.00 C ATOM 764 CZ PHE A 43 -0.398 3.469 0.942 1.00 0.00 C ATOM 0 H PHE A 43 -0.203 6.774 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 43 2.099 5.280 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.622 4.624 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.621 3.389 -3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.266 5.693 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.301 2.253 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.649 5.220 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.903 1.778 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.568 3.263 1.989 1.00 0.00 H new ATOM 774 N HIS A 44 3.399 5.466 -4.704 1.00 0.00 N ATOM 775 CA HIS A 44 4.175 5.343 -5.970 1.00 0.00 C ATOM 776 C HIS A 44 3.863 3.999 -6.628 1.00 0.00 C ATOM 777 O HIS A 44 3.556 3.027 -5.966 1.00 0.00 O ATOM 778 CB HIS A 44 5.670 5.425 -5.661 1.00 0.00 C ATOM 779 CG HIS A 44 6.450 5.443 -6.947 1.00 0.00 C ATOM 780 ND1 HIS A 44 5.941 5.996 -8.112 1.00 0.00 N ATOM 781 CD2 HIS A 44 7.704 4.983 -7.266 1.00 0.00 C ATOM 782 CE1 HIS A 44 6.877 5.855 -9.070 1.00 0.00 C ATOM 783 NE2 HIS A 44 7.970 5.244 -8.607 1.00 0.00 N ATOM 0 H HIS A 44 3.946 5.725 -3.883 1.00 0.00 H new ATOM 0 HA HIS A 44 3.900 6.152 -6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.883 6.323 -5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 44 5.973 4.573 -5.052 1.00 0.00 H new ATOM 0 HD2 HIS A 44 8.380 4.494 -6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.758 6.195 -10.088 1.00 0.00 H new ATOM 0 HE2 HIS A 44 8.819 5.017 -9.125 1.00 0.00 H new ATOM 791 N GLU A 45 3.938 3.936 -7.928 1.00 0.00 N ATOM 792 CA GLU A 45 3.646 2.656 -8.631 1.00 0.00 C ATOM 793 C GLU A 45 4.660 1.593 -8.195 1.00 0.00 C ATOM 794 O GLU A 45 4.626 0.467 -8.651 1.00 0.00 O ATOM 795 CB GLU A 45 3.749 2.875 -10.145 1.00 0.00 C ATOM 796 CG GLU A 45 4.968 3.748 -10.454 1.00 0.00 C ATOM 797 CD GLU A 45 5.293 3.664 -11.947 1.00 0.00 C ATOM 798 OE1 GLU A 45 5.773 2.626 -12.370 1.00 0.00 O ATOM 799 OE2 GLU A 45 5.057 4.640 -12.640 1.00 0.00 O ATOM 0 H GLU A 45 4.189 4.717 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 45 2.640 2.320 -8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.836 1.916 -10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.843 3.353 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.769 4.782 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.824 3.417 -9.866 1.00 0.00 H new ATOM 806 N SER A 46 5.566 1.946 -7.320 1.00 0.00 N ATOM 807 CA SER A 46 6.594 0.965 -6.851 1.00 0.00 C ATOM 808 C SER A 46 6.188 0.388 -5.493 1.00 0.00 C ATOM 809 O SER A 46 6.895 -0.416 -4.918 1.00 0.00 O ATOM 810 CB SER A 46 7.940 1.676 -6.711 1.00 0.00 C ATOM 811 OG SER A 46 7.970 2.385 -5.479 1.00 0.00 O ATOM 0 H SER A 46 5.639 2.876 -6.907 1.00 0.00 H new ATOM 0 HA SER A 46 6.672 0.155 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.753 0.951 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.090 2.364 -7.543 1.00 0.00 H new ATOM 0 HG SER A 46 8.832 2.841 -5.385 1.00 0.00 H new ATOM 817 N ALA A 47 5.057 0.784 -4.971 1.00 0.00 N ATOM 818 CA ALA A 47 4.621 0.248 -3.651 1.00 0.00 C ATOM 819 C ALA A 47 4.025 -1.144 -3.842 1.00 0.00 C ATOM 820 O ALA A 47 3.384 -1.427 -4.834 1.00 0.00 O ATOM 821 CB ALA A 47 3.579 1.184 -3.033 1.00 0.00 C ATOM 0 H ALA A 47 4.419 1.453 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 47 5.479 0.183 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.262 0.789 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.015 2.173 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.717 1.257 -3.696 1.00 0.00 H new ATOM 827 N VAL A 48 4.235 -2.017 -2.895 1.00 0.00 N ATOM 828 CA VAL A 48 3.689 -3.399 -3.007 1.00 0.00 C ATOM 829 C VAL A 48 3.429 -3.942 -1.600 1.00 0.00 C ATOM 830 O VAL A 48 4.061 -3.535 -0.647 1.00 0.00 O ATOM 831 CB VAL A 48 4.719 -4.295 -3.695 1.00 0.00 C ATOM 832 CG1 VAL A 48 5.047 -3.743 -5.084 1.00 0.00 C ATOM 833 CG2 VAL A 48 5.989 -4.327 -2.843 1.00 0.00 C ATOM 0 H VAL A 48 4.765 -1.831 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 48 2.765 -3.385 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 48 4.316 -5.302 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.782 -4.387 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.139 -3.712 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.454 -2.736 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.733 -4.963 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.386 -3.317 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.755 -4.724 -1.855 1.00 0.00 H new ATOM 843 N LYS A 49 2.516 -4.863 -1.460 1.00 0.00 N ATOM 844 CA LYS A 49 2.231 -5.431 -0.108 1.00 0.00 C ATOM 845 C LYS A 49 3.259 -6.529 0.206 1.00 0.00 C ATOM 846 O LYS A 49 3.769 -7.188 -0.678 1.00 0.00 O ATOM 847 CB LYS A 49 0.793 -6.005 -0.056 1.00 0.00 C ATOM 848 CG LYS A 49 0.306 -6.396 -1.459 1.00 0.00 C ATOM 849 CD LYS A 49 1.215 -7.479 -2.048 1.00 0.00 C ATOM 850 CE LYS A 49 0.523 -8.137 -3.244 1.00 0.00 C ATOM 851 NZ LYS A 49 -0.786 -8.706 -2.816 1.00 0.00 N ATOM 0 H LYS A 49 1.955 -5.248 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 49 2.308 -4.641 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.769 -6.877 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.118 -5.266 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.720 -6.760 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.302 -5.521 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.164 -7.042 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.443 -8.228 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.370 -7.404 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.156 -8.924 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.020 -9.525 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.725 -9.007 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.527 -7.983 -2.914 1.00 0.00 H new ATOM 865 N VAL A 50 3.568 -6.724 1.464 1.00 0.00 N ATOM 866 CA VAL A 50 4.565 -7.772 1.850 1.00 0.00 C ATOM 867 C VAL A 50 4.171 -8.367 3.206 1.00 0.00 C ATOM 868 O VAL A 50 3.408 -7.786 3.950 1.00 0.00 O ATOM 869 CB VAL A 50 5.965 -7.144 1.959 1.00 0.00 C ATOM 870 CG1 VAL A 50 7.033 -8.231 1.820 1.00 0.00 C ATOM 871 CG2 VAL A 50 6.156 -6.100 0.853 1.00 0.00 C ATOM 0 H VAL A 50 3.171 -6.200 2.244 1.00 0.00 H new ATOM 0 HA VAL A 50 4.579 -8.555 1.091 1.00 0.00 H new ATOM 0 HB VAL A 50 6.061 -6.662 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.023 -7.781 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.907 -8.969 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.932 -8.719 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.149 -5.659 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.052 -6.578 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.403 -5.319 0.956 1.00 0.00 H new ATOM 881 N ASP A 51 4.690 -9.519 3.536 1.00 0.00 N ATOM 882 CA ASP A 51 4.354 -10.146 4.844 1.00 0.00 C ATOM 883 C ASP A 51 5.512 -11.051 5.273 1.00 0.00 C ATOM 884 O ASP A 51 6.629 -10.605 5.436 1.00 0.00 O ATOM 885 CB ASP A 51 3.075 -10.976 4.700 1.00 0.00 C ATOM 886 CG ASP A 51 1.930 -10.071 4.246 1.00 0.00 C ATOM 887 OD1 ASP A 51 1.570 -9.180 4.998 1.00 0.00 O ATOM 888 OD2 ASP A 51 1.430 -10.284 3.153 1.00 0.00 O ATOM 0 H ASP A 51 5.334 -10.054 2.953 1.00 0.00 H new ATOM 0 HA ASP A 51 4.195 -9.373 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.228 -11.777 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.825 -11.447 5.651 1.00 0.00 H new ATOM 893 N LEU A 52 5.246 -12.316 5.450 1.00 0.00 N ATOM 894 CA LEU A 52 6.314 -13.273 5.869 1.00 0.00 C ATOM 895 C LEU A 52 5.714 -14.675 6.009 1.00 0.00 C ATOM 896 O LEU A 52 6.181 -15.483 6.787 1.00 0.00 O ATOM 897 CB LEU A 52 6.909 -12.841 7.223 1.00 0.00 C ATOM 898 CG LEU A 52 5.779 -12.545 8.261 1.00 0.00 C ATOM 899 CD1 LEU A 52 5.746 -13.633 9.342 1.00 0.00 C ATOM 900 CD2 LEU A 52 6.029 -11.190 8.942 1.00 0.00 C ATOM 0 H LEU A 52 4.324 -12.734 5.321 1.00 0.00 H new ATOM 0 HA LEU A 52 7.101 -13.279 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.562 -13.626 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.525 -11.952 7.087 1.00 0.00 H new ATOM 0 HG LEU A 52 4.828 -12.526 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.953 -13.412 10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.556 -14.601 8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.705 -13.660 9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.236 -10.993 9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.990 -11.213 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.039 -10.401 8.190 1.00 0.00 H new ATOM 912 N ASN A 53 4.679 -14.969 5.267 1.00 0.00 N ATOM 913 CA ASN A 53 4.044 -16.319 5.360 1.00 0.00 C ATOM 914 C ASN A 53 4.749 -17.290 4.411 1.00 0.00 C ATOM 915 O ASN A 53 4.159 -18.235 3.927 1.00 0.00 O ATOM 916 CB ASN A 53 2.568 -16.214 4.970 1.00 0.00 C ATOM 917 CG ASN A 53 2.457 -15.770 3.511 1.00 0.00 C ATOM 918 OD1 ASN A 53 3.035 -14.776 3.121 1.00 0.00 O ATOM 919 ND2 ASN A 53 1.731 -16.470 2.682 1.00 0.00 N ATOM 0 H ASN A 53 4.244 -14.332 4.599 1.00 0.00 H new ATOM 0 HA ASN A 53 4.130 -16.687 6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.075 -17.177 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.059 -15.500 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.649 -16.182 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.245 -17.305 3.009 1.00 0.00 H new ATOM 926 N ARG A 54 6.004 -17.065 4.139 1.00 0.00 N ATOM 927 CA ARG A 54 6.738 -17.979 3.219 1.00 0.00 C ATOM 928 C ARG A 54 7.123 -19.288 3.931 1.00 0.00 C ATOM 929 O ARG A 54 7.154 -20.332 3.311 1.00 0.00 O ATOM 930 CB ARG A 54 8.003 -17.286 2.702 1.00 0.00 C ATOM 931 CG ARG A 54 8.516 -18.022 1.454 1.00 0.00 C ATOM 932 CD ARG A 54 9.769 -17.317 0.889 1.00 0.00 C ATOM 933 NE ARG A 54 9.677 -17.237 -0.605 1.00 0.00 N ATOM 934 CZ ARG A 54 9.338 -18.278 -1.320 1.00 0.00 C ATOM 935 NH1 ARG A 54 9.204 -19.449 -0.761 1.00 0.00 N ATOM 936 NH2 ARG A 54 9.171 -18.153 -2.608 1.00 0.00 N ATOM 0 H ARG A 54 6.552 -16.290 4.512 1.00 0.00 H new ATOM 0 HA ARG A 54 6.082 -18.221 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.788 -16.245 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.770 -17.282 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.755 -19.055 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.734 -18.052 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.856 -16.316 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.667 -17.864 1.178 1.00 0.00 H new ATOM 0 HE ARG A 54 9.883 -16.354 -1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.364 -19.557 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.939 -20.256 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.305 -17.245 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.907 -18.963 -3.169 1.00 0.00 H new ATOM 950 N PRO A 55 7.428 -19.256 5.212 1.00 0.00 N ATOM 951 CA PRO A 55 7.819 -20.476 5.963 1.00 0.00 C ATOM 952 C PRO A 55 6.609 -21.191 6.577 1.00 0.00 C ATOM 953 O PRO A 55 5.542 -20.599 6.593 1.00 0.00 O ATOM 954 CB PRO A 55 8.739 -19.918 7.049 1.00 0.00 C ATOM 955 CG PRO A 55 8.183 -18.557 7.361 1.00 0.00 C ATOM 956 CD PRO A 55 7.435 -18.074 6.098 1.00 0.00 C ATOM 957 OXT PRO A 55 6.772 -22.316 7.019 1.00 0.00 O ATOM 0 HA PRO A 55 8.290 -21.229 5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.741 -20.557 7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.770 -19.854 6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.508 -18.603 8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.983 -17.865 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.423 -17.747 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.942 -17.229 5.632 1.00 0.00 H new TER 965 PRO A 55