USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.0066) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.838 K(o=0.84,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 19 TYR OH : rot 166:sc= -0.178 USER MOD Single : A 21 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.15) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.618 (180deg=0.27) USER MOD Single : B 3 ASN : amide:sc= 0.07 K(o=0.07,f=-3.1!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.0108 K(o=-0.011,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.039) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.147 0.732 0.606 1.00 25.00 N ATOM 2 CA GLY A 1 2.835 0.003 -0.465 1.00 25.00 C ATOM 3 C GLY A 1 2.156 0.119 -1.787 1.00 25.00 C ATOM 4 O GLY A 1 1.333 0.951 -2.061 1.00 25.00 O ATOM 0 H1 GLY A 1 2.668 0.612 1.498 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.102 1.743 0.365 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.182 0.359 0.716 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.855 0.378 -0.554 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.905 -1.050 -0.192 1.00 25.00 H new ATOM 9 N ILE A 2 2.551 -0.797 -2.692 1.00 25.00 N ATOM 10 CA ILE A 2 2.002 -0.811 -4.031 1.00 25.00 C ATOM 11 C ILE A 2 0.468 -0.949 -3.924 1.00 25.00 C ATOM 12 O ILE A 2 -0.285 -0.333 -4.699 1.00 25.00 O ATOM 13 CB ILE A 2 2.540 -1.997 -4.886 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.083 -1.937 -5.001 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.963 -1.981 -6.305 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.704 -3.129 -5.768 1.00 25.00 C ATOM 0 H ILE A 2 3.242 -1.524 -2.508 1.00 25.00 H new ATOM 0 HA ILE A 2 2.298 0.116 -4.522 1.00 25.00 H new ATOM 0 HB ILE A 2 2.231 -2.910 -4.377 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.364 -1.010 -5.501 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.511 -1.901 -3.999 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.362 -2.824 -6.870 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.877 -2.058 -6.257 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.239 -1.050 -6.799 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.787 -3.013 -5.805 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.456 -4.059 -5.257 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.307 -3.155 -6.783 1.00 25.00 H new ATOM 28 N VAL A 3 -0.011 -1.736 -2.992 1.00 25.00 N ATOM 29 CA VAL A 3 -1.485 -1.940 -2.852 1.00 25.00 C ATOM 30 C VAL A 3 -2.150 -0.642 -2.421 1.00 25.00 C ATOM 31 O VAL A 3 -3.135 -0.258 -3.050 1.00 25.00 O ATOM 32 CB VAL A 3 -1.804 -3.096 -1.896 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.245 -2.854 -0.448 1.00 25.00 C ATOM 34 CG2 VAL A 3 -3.306 -3.380 -1.844 1.00 25.00 C ATOM 0 H VAL A 3 0.559 -2.248 -2.319 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.892 -2.222 -3.823 1.00 25.00 H new ATOM 0 HB VAL A 3 -1.297 -3.972 -2.299 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.499 -3.703 0.187 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -0.161 -2.744 -0.490 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.686 -1.947 -0.035 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -3.497 -4.205 -1.157 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -3.833 -2.491 -1.498 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -3.660 -3.647 -2.839 1.00 25.00 H new ATOM 44 N GLU A 4 -1.565 0.072 -1.439 1.00 25.00 N ATOM 45 CA GLU A 4 -2.161 1.342 -1.000 1.00 25.00 C ATOM 46 C GLU A 4 -2.212 2.357 -2.180 1.00 25.00 C ATOM 47 O GLU A 4 -3.281 2.901 -2.444 1.00 25.00 O ATOM 48 CB GLU A 4 -1.346 1.910 0.175 1.00 25.00 C ATOM 49 CG GLU A 4 -1.888 3.182 0.732 1.00 25.00 C ATOM 50 CD GLU A 4 -0.949 3.788 1.734 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.083 4.567 1.455 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.123 3.321 2.946 1.00 25.00 O ATOM 0 H GLU A 4 -0.711 -0.199 -0.952 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.184 1.164 -0.668 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.307 1.165 0.970 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.321 2.078 -0.155 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.063 3.890 -0.078 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.852 2.992 1.204 1.00 25.00 H new ATOM 60 N GLN A 5 -1.123 2.554 -2.919 1.00 25.00 N ATOM 61 CA GLN A 5 -1.110 3.509 -4.076 1.00 25.00 C ATOM 62 C GLN A 5 -1.911 3.076 -5.355 1.00 25.00 C ATOM 63 O GLN A 5 -2.478 3.928 -6.060 1.00 25.00 O ATOM 64 CB GLN A 5 0.353 3.724 -4.529 1.00 25.00 C ATOM 65 CG GLN A 5 0.577 4.836 -5.550 1.00 25.00 C ATOM 66 CD GLN A 5 0.104 6.200 -5.060 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.572 6.941 -5.757 1.00 25.00 O ATOM 68 NE2 GLN A 5 0.510 6.560 -3.857 1.00 25.00 N ATOM 0 H GLN A 5 -0.234 2.080 -2.757 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.603 4.401 -3.688 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.958 3.938 -3.648 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.724 2.790 -4.951 1.00 25.00 H new ATOM 0 HG2 GLN A 5 1.638 4.891 -5.792 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.053 4.586 -6.472 1.00 25.00 H new ATOM 0 HE21 GLN A 5 1.074 5.921 -3.296 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.260 7.477 -3.488 1.00 25.00 H new ATOM 77 N CYS A 6 -1.861 1.794 -5.707 1.00 25.00 N ATOM 78 CA CYS A 6 -2.396 1.321 -6.977 1.00 25.00 C ATOM 79 C CYS A 6 -3.752 0.531 -6.980 1.00 25.00 C ATOM 80 O CYS A 6 -4.428 0.422 -7.985 1.00 25.00 O ATOM 81 CB CYS A 6 -1.319 0.405 -7.577 1.00 25.00 C ATOM 82 SG CYS A 6 -1.420 0.015 -9.362 1.00 25.00 S ATOM 0 H CYS A 6 -1.453 1.062 -5.126 1.00 25.00 H new ATOM 0 HA CYS A 6 -2.635 2.226 -7.536 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.348 0.864 -7.390 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.338 -0.536 -7.028 1.00 25.00 H new ATOM 87 N CYS A 7 -4.162 -0.065 -5.853 1.00 25.00 N ATOM 88 CA CYS A 7 -5.382 -0.894 -5.841 1.00 25.00 C ATOM 89 C CYS A 7 -6.599 0.015 -5.693 1.00 25.00 C ATOM 90 O CYS A 7 -7.721 -0.400 -5.942 1.00 25.00 O ATOM 91 CB CYS A 7 -5.311 -1.840 -4.691 1.00 25.00 C ATOM 92 SG CYS A 7 -6.547 -3.163 -4.740 1.00 25.00 S ATOM 0 H CYS A 7 -3.683 0.006 -4.955 1.00 25.00 H new ATOM 0 HA CYS A 7 -5.465 -1.459 -6.770 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.317 -2.287 -4.664 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.433 -1.278 -3.765 1.00 25.00 H new ATOM 97 N THR A 8 -6.353 1.258 -5.300 1.00 25.00 N ATOM 98 CA THR A 8 -7.400 2.233 -5.202 1.00 25.00 C ATOM 99 C THR A 8 -7.309 3.148 -6.442 1.00 25.00 C ATOM 100 O THR A 8 -6.238 3.272 -7.028 1.00 25.00 O ATOM 101 CB THR A 8 -7.294 3.035 -3.863 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.514 3.781 -3.680 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.121 4.014 -3.855 1.00 25.00 C ATOM 0 H THR A 8 -5.428 1.604 -5.045 1.00 25.00 H new ATOM 0 HA THR A 8 -8.376 1.748 -5.184 1.00 25.00 H new ATOM 0 HB THR A 8 -7.131 2.318 -3.059 1.00 25.00 H new ATOM 0 HG1 THR A 8 -8.465 4.289 -2.843 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.095 4.543 -2.902 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.189 3.466 -3.991 1.00 25.00 H new ATOM 0 HG23 THR A 8 -6.241 4.732 -4.666 1.00 25.00 H new ATOM 111 N SER A 9 -8.440 3.712 -6.878 1.00 25.00 N ATOM 112 CA SER A 9 -8.547 4.460 -8.141 1.00 25.00 C ATOM 113 C SER A 9 -8.059 3.525 -9.279 1.00 25.00 C ATOM 114 O SER A 9 -7.974 2.300 -9.108 1.00 25.00 O ATOM 115 CB SER A 9 -7.771 5.793 -8.087 1.00 25.00 C ATOM 116 OG SER A 9 -8.365 6.695 -7.164 1.00 25.00 O ATOM 0 H SER A 9 -9.318 3.663 -6.361 1.00 25.00 H new ATOM 0 HA SER A 9 -9.582 4.747 -8.327 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.737 5.604 -7.800 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.749 6.245 -9.079 1.00 25.00 H new ATOM 0 HG SER A 9 -7.853 7.531 -7.148 1.00 25.00 H new ATOM 122 N ILE A 10 -7.839 4.071 -10.475 1.00 25.00 N ATOM 123 CA ILE A 10 -7.530 3.236 -11.665 1.00 25.00 C ATOM 124 C ILE A 10 -6.045 2.707 -11.676 1.00 25.00 C ATOM 125 O ILE A 10 -5.786 1.562 -12.050 1.00 25.00 O ATOM 126 CB ILE A 10 -7.761 4.079 -12.971 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.237 4.557 -13.095 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.342 3.315 -14.264 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.334 3.477 -13.256 1.00 25.00 C ATOM 0 H ILE A 10 -7.865 5.074 -10.658 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.194 2.373 -11.623 1.00 25.00 H new ATOM 0 HB ILE A 10 -7.115 4.952 -12.876 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.474 5.146 -12.209 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.301 5.229 -13.951 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -7.524 3.946 -15.134 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.282 3.065 -14.212 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.927 2.399 -14.351 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.310 3.958 -13.330 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.145 2.898 -14.160 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.321 2.814 -12.391 1.00 25.00 H new ATOM 141 N CYS A 11 -5.105 3.568 -11.290 1.00 25.00 N ATOM 142 CA CYS A 11 -3.657 3.294 -11.402 1.00 25.00 C ATOM 143 C CYS A 11 -3.203 3.199 -12.900 1.00 25.00 C ATOM 144 O CYS A 11 -3.110 2.123 -13.510 1.00 25.00 O ATOM 145 CB CYS A 11 -3.279 2.036 -10.574 1.00 25.00 C ATOM 146 SG CYS A 11 -1.508 1.823 -10.291 1.00 25.00 S ATOM 0 H CYS A 11 -5.318 4.481 -10.888 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.109 4.135 -10.977 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.784 2.088 -9.609 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.660 1.153 -11.086 1.00 25.00 H new ATOM 151 N SER A 12 -2.996 4.361 -13.514 1.00 25.00 N ATOM 152 CA SER A 12 -2.787 4.445 -14.978 1.00 25.00 C ATOM 153 C SER A 12 -1.485 3.713 -15.358 1.00 25.00 C ATOM 154 O SER A 12 -0.548 3.616 -14.558 1.00 25.00 O ATOM 155 CB SER A 12 -2.737 5.915 -15.377 1.00 25.00 C ATOM 156 OG SER A 12 -3.962 6.521 -15.041 1.00 25.00 O ATOM 0 H SER A 12 -2.966 5.260 -13.033 1.00 25.00 H new ATOM 0 HA SER A 12 -3.606 3.963 -15.512 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.916 6.417 -14.865 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.551 6.009 -16.447 1.00 25.00 H new ATOM 0 HG SER A 12 -3.938 7.468 -15.293 1.00 25.00 H new ATOM 162 N LEU A 13 -1.351 3.327 -16.657 1.00 25.00 N ATOM 163 CA LEU A 13 -0.126 2.626 -17.196 1.00 25.00 C ATOM 164 C LEU A 13 1.110 3.400 -16.890 1.00 25.00 C ATOM 165 O LEU A 13 2.248 2.808 -16.477 1.00 25.00 O ATOM 166 CB LEU A 13 -0.199 2.418 -18.724 1.00 25.00 C ATOM 167 CG LEU A 13 -1.335 1.490 -19.104 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.689 1.503 -20.583 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.023 0.074 -18.641 1.00 25.00 C ATOM 0 H LEU A 13 -2.072 3.485 -17.361 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.093 1.653 -16.706 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.334 3.381 -19.217 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.744 2.006 -19.082 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.220 1.869 -18.592 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.511 0.811 -20.766 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.989 2.509 -20.876 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.821 1.198 -21.168 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.844 -0.588 -18.917 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.104 -0.270 -19.115 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.898 0.065 -17.558 1.00 25.00 H new ATOM 181 N TYR A 14 1.070 4.734 -16.916 1.00 25.00 N ATOM 182 CA TYR A 14 2.129 5.625 -16.487 1.00 25.00 C ATOM 183 C TYR A 14 2.592 5.359 -15.064 1.00 25.00 C ATOM 184 O TYR A 14 3.757 5.219 -14.770 1.00 25.00 O ATOM 185 CB TYR A 14 1.707 7.139 -16.710 1.00 25.00 C ATOM 186 CG TYR A 14 2.841 8.092 -16.404 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.791 8.368 -17.372 1.00 25.00 C ATOM 188 CD2 TYR A 14 2.966 8.635 -15.159 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.969 9.328 -17.075 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.013 9.395 -14.773 1.00 25.00 C ATOM 191 CZ TYR A 14 5.019 9.736 -15.618 1.00 25.00 C ATOM 192 OH TYR A 14 6.086 10.439 -15.233 1.00 25.00 O ATOM 0 H TYR A 14 0.252 5.239 -17.256 1.00 25.00 H new ATOM 0 HA TYR A 14 2.997 5.420 -17.114 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.385 7.278 -17.742 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.853 7.375 -16.075 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.710 7.908 -18.346 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.182 8.446 -14.440 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.673 9.667 -17.820 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.052 9.745 -13.752 1.00 25.00 H new ATOM 0 HH TYR A 14 6.013 10.648 -14.278 1.00 25.00 H new ATOM 202 N GLN A 15 1.624 5.290 -14.135 1.00 25.00 N ATOM 203 CA GLN A 15 1.905 5.050 -12.714 1.00 25.00 C ATOM 204 C GLN A 15 2.500 3.654 -12.517 1.00 25.00 C ATOM 205 O GLN A 15 3.458 3.481 -11.757 1.00 25.00 O ATOM 206 CB GLN A 15 0.595 5.154 -11.857 1.00 25.00 C ATOM 207 CG GLN A 15 0.007 6.572 -11.794 1.00 25.00 C ATOM 208 CD GLN A 15 -1.420 6.610 -11.122 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.428 6.553 -11.812 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.474 6.672 -9.797 1.00 25.00 N ATOM 0 H GLN A 15 0.632 5.398 -14.348 1.00 25.00 H new ATOM 0 HA GLN A 15 2.615 5.810 -12.388 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.154 4.478 -12.271 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.807 4.813 -10.844 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.685 7.217 -11.235 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.060 6.978 -12.803 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.612 6.719 -9.253 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.377 6.673 -9.323 1.00 25.00 H new ATOM 219 N LEU A 16 1.964 2.693 -13.243 1.00 25.00 N ATOM 220 CA LEU A 16 2.381 1.294 -13.166 1.00 25.00 C ATOM 221 C LEU A 16 3.867 1.116 -13.526 1.00 25.00 C ATOM 222 O LEU A 16 4.602 0.400 -12.867 1.00 25.00 O ATOM 223 CB LEU A 16 1.509 0.403 -14.073 1.00 25.00 C ATOM 224 CG LEU A 16 0.146 -0.047 -13.513 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.655 -0.568 -14.667 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.269 -1.176 -12.471 1.00 25.00 C ATOM 0 H LEU A 16 1.215 2.858 -13.915 1.00 25.00 H new ATOM 0 HA LEU A 16 2.245 0.982 -12.130 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.331 0.940 -15.005 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.083 -0.489 -14.324 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.319 0.806 -13.018 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.631 -0.898 -14.313 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.786 0.223 -15.406 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.131 -1.408 -15.124 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.723 -1.450 -12.113 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.742 -2.044 -12.929 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.875 -0.833 -11.633 1.00 25.00 H new ATOM 238 N GLU A 17 4.293 1.828 -14.561 1.00 25.00 N ATOM 239 CA GLU A 17 5.672 1.825 -14.998 1.00 25.00 C ATOM 240 C GLU A 17 6.652 2.277 -13.865 1.00 25.00 C ATOM 241 O GLU A 17 7.813 1.854 -13.883 1.00 25.00 O ATOM 242 CB GLU A 17 5.832 2.802 -16.191 1.00 25.00 C ATOM 243 CG GLU A 17 6.005 2.110 -17.521 1.00 25.00 C ATOM 244 CD GLU A 17 7.442 1.940 -17.904 1.00 25.00 C ATOM 245 OE1 GLU A 17 8.118 2.838 -18.291 1.00 25.00 O ATOM 246 OE2 GLU A 17 7.881 0.737 -17.829 1.00 25.00 O ATOM 0 H GLU A 17 3.684 2.425 -15.120 1.00 25.00 H new ATOM 0 HA GLU A 17 5.920 0.803 -15.283 1.00 25.00 H new ATOM 0 HB2 GLU A 17 4.956 3.450 -16.239 1.00 25.00 H new ATOM 0 HB3 GLU A 17 6.694 3.444 -16.010 1.00 25.00 H new ATOM 0 HG2 GLU A 17 5.526 1.132 -17.481 1.00 25.00 H new ATOM 0 HG3 GLU A 17 5.493 2.684 -18.293 1.00 25.00 H new ATOM 254 N ASN A 18 6.226 3.081 -12.906 1.00 25.00 N ATOM 255 CA ASN A 18 7.144 3.513 -11.828 1.00 25.00 C ATOM 256 C ASN A 18 7.477 2.374 -10.865 1.00 25.00 C ATOM 257 O ASN A 18 8.502 2.397 -10.178 1.00 25.00 O ATOM 258 CB ASN A 18 6.547 4.656 -11.062 1.00 25.00 C ATOM 259 CG ASN A 18 6.387 5.904 -11.938 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.106 6.138 -12.876 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.430 6.752 -11.582 1.00 25.00 N ATOM 0 H ASN A 18 5.277 3.449 -12.837 1.00 25.00 H new ATOM 0 HA ASN A 18 8.071 3.831 -12.306 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.575 4.361 -10.668 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.180 4.891 -10.206 1.00 25.00 H new ATOM 0 HD21 ASN A 18 5.295 7.617 -12.105 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.830 6.539 -10.785 1.00 25.00 H new ATOM 268 N TYR A 19 6.677 1.319 -10.872 1.00 25.00 N ATOM 269 CA TYR A 19 7.001 0.158 -10.066 1.00 25.00 C ATOM 270 C TYR A 19 8.114 -0.699 -10.720 1.00 25.00 C ATOM 271 O TYR A 19 8.544 -1.717 -10.157 1.00 25.00 O ATOM 272 CB TYR A 19 5.748 -0.675 -9.788 1.00 25.00 C ATOM 273 CG TYR A 19 4.663 0.129 -9.087 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.872 0.606 -7.778 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.444 0.385 -9.697 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.861 1.382 -7.120 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.421 1.154 -9.056 1.00 25.00 C ATOM 278 CZ TYR A 19 2.653 1.642 -7.766 1.00 25.00 C ATOM 279 OH TYR A 19 1.660 2.367 -7.159 1.00 25.00 O ATOM 0 H TYR A 19 5.817 1.244 -11.415 1.00 25.00 H new ATOM 0 HA TYR A 19 7.389 0.514 -9.112 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.358 -1.065 -10.728 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.015 -1.534 -9.173 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.798 0.386 -7.267 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.261 -0.008 -10.686 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.035 1.765 -6.125 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.487 1.354 -9.559 1.00 25.00 H new ATOM 0 HH TYR A 19 0.999 2.642 -7.829 1.00 25.00 H new ATOM 289 N CYS A 20 8.531 -0.314 -11.922 1.00 25.00 N ATOM 290 CA CYS A 20 9.565 -1.047 -12.658 1.00 25.00 C ATOM 291 C CYS A 20 10.974 -0.433 -12.437 1.00 25.00 C ATOM 292 O CYS A 20 11.217 0.320 -11.500 1.00 25.00 O ATOM 293 CB CYS A 20 9.222 -1.092 -14.128 1.00 25.00 C ATOM 294 SG CYS A 20 9.889 -2.566 -15.037 1.00 25.00 S ATOM 0 H CYS A 20 8.169 0.504 -12.412 1.00 25.00 H new ATOM 0 HA CYS A 20 9.595 -2.066 -12.271 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.137 -1.077 -14.234 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.601 -0.187 -14.603 1.00 25.00 H new ATOM 299 N ASN A 21 11.913 -0.719 -13.313 1.00 25.00 N ATOM 300 CA ASN A 21 13.309 -0.251 -13.093 1.00 25.00 C ATOM 301 C ASN A 21 13.485 1.289 -13.177 1.00 25.00 C ATOM 302 O ASN A 21 13.905 1.832 -14.177 1.00 25.00 O ATOM 303 CB ASN A 21 14.256 -0.959 -14.066 1.00 25.00 C ATOM 304 CG ASN A 21 14.292 -2.399 -13.718 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.564 -2.763 -12.600 1.00 25.00 O ATOM 306 ND2 ASN A 21 13.937 -3.239 -14.674 1.00 25.00 N ATOM 307 OXT ASN A 21 13.154 1.963 -12.128 1.00 25.00 O ATOM 0 H ASN A 21 11.766 -1.256 -14.168 1.00 25.00 H new ATOM 0 HA ASN A 21 13.562 -0.515 -12.066 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.915 -0.825 -15.093 1.00 25.00 H new ATOM 0 HB3 ASN A 21 15.255 -0.528 -14.004 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.884 -4.239 -14.481 1.00 25.00 H new ATOM 0 HD22 ASN A 21 13.715 -2.887 -15.606 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.141 -5.287 -22.750 1.00 25.00 N ATOM 317 CA PHE B 1 -5.010 -4.336 -21.630 1.00 25.00 C ATOM 318 C PHE B 1 -6.373 -3.858 -20.986 1.00 25.00 C ATOM 319 O PHE B 1 -7.205 -3.267 -21.619 1.00 25.00 O ATOM 320 CB PHE B 1 -4.201 -3.160 -22.135 1.00 25.00 C ATOM 321 CG PHE B 1 -2.707 -3.447 -22.493 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.300 -4.053 -23.695 1.00 25.00 C ATOM 323 CD2 PHE B 1 -1.728 -3.054 -21.580 1.00 25.00 C ATOM 324 CE1 PHE B 1 -0.959 -4.288 -23.950 1.00 25.00 C ATOM 325 CE2 PHE B 1 -0.397 -3.283 -21.853 1.00 25.00 C ATOM 326 CZ PHE B 1 -0.020 -3.906 -23.036 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.303 -5.221 -23.362 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.221 -6.254 -22.377 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.992 -5.058 -23.303 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.512 -4.855 -20.811 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.694 -2.761 -23.022 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.226 -2.377 -21.377 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -3.041 -4.338 -24.427 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -2.014 -2.570 -20.658 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -0.658 -4.771 -24.868 1.00 25.00 H new ATOM 0 HE2 PHE B 1 0.357 -2.976 -21.143 1.00 25.00 H new ATOM 0 HZ PHE B 1 1.026 -4.090 -23.234 1.00 25.00 H new ATOM 337 N VAL B 2 -6.519 -4.164 -19.668 1.00 25.00 N ATOM 338 CA VAL B 2 -7.711 -3.797 -18.915 1.00 25.00 C ATOM 339 C VAL B 2 -7.322 -2.547 -18.159 1.00 25.00 C ATOM 340 O VAL B 2 -6.341 -2.550 -17.424 1.00 25.00 O ATOM 341 CB VAL B 2 -8.168 -4.905 -17.920 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.461 -4.544 -17.165 1.00 25.00 C ATOM 343 CG2 VAL B 2 -8.361 -6.210 -18.686 1.00 25.00 C ATOM 0 H VAL B 2 -5.817 -4.663 -19.122 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.556 -3.650 -19.587 1.00 25.00 H new ATOM 0 HB VAL B 2 -7.388 -5.010 -17.166 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.726 -5.356 -16.488 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.305 -3.630 -16.592 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.269 -4.390 -17.880 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.681 -6.992 -17.998 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.120 -6.071 -19.456 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -7.420 -6.500 -19.153 1.00 25.00 H new ATOM 353 N ASN B 3 -8.087 -1.463 -18.346 1.00 25.00 N ATOM 354 CA ASN B 3 -7.710 -0.134 -17.821 1.00 25.00 C ATOM 355 C ASN B 3 -8.625 0.318 -16.670 1.00 25.00 C ATOM 356 O ASN B 3 -9.002 1.479 -16.562 1.00 25.00 O ATOM 357 CB ASN B 3 -7.691 0.828 -19.009 1.00 25.00 C ATOM 358 CG ASN B 3 -9.063 1.139 -19.536 1.00 25.00 C ATOM 359 OD1 ASN B 3 -9.881 0.268 -19.801 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.315 2.399 -19.715 1.00 25.00 N ATOM 0 H ASN B 3 -8.970 -1.475 -18.856 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.720 -0.162 -17.367 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.204 1.756 -18.710 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.090 0.396 -19.809 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.219 2.690 -20.088 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -8.609 3.098 -19.483 1.00 25.00 H new ATOM 367 N GLN B 4 -9.012 -0.678 -15.867 1.00 25.00 N ATOM 368 CA GLN B 4 -9.869 -0.481 -14.709 1.00 25.00 C ATOM 369 C GLN B 4 -9.001 -0.425 -13.438 1.00 25.00 C ATOM 370 O GLN B 4 -7.820 -0.141 -13.493 1.00 25.00 O ATOM 371 CB GLN B 4 -10.889 -1.641 -14.646 1.00 25.00 C ATOM 372 CG GLN B 4 -12.244 -1.086 -14.286 1.00 25.00 C ATOM 373 CD GLN B 4 -13.362 -2.073 -14.440 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.324 -3.169 -13.857 1.00 25.00 O ATOM 375 NE2 GLN B 4 -14.380 -1.712 -15.204 1.00 25.00 N ATOM 0 H GLN B 4 -8.733 -1.649 -16.009 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.415 0.459 -14.786 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.936 -2.154 -15.607 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.576 -2.378 -13.906 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.220 -0.736 -13.254 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -12.449 -0.218 -14.913 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -14.374 -0.803 -15.666 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -15.171 -2.343 -15.331 1.00 25.00 H new ATOM 384 N HIS B 5 -9.598 -0.699 -12.286 1.00 25.00 N ATOM 385 CA HIS B 5 -8.855 -0.664 -11.033 1.00 25.00 C ATOM 386 C HIS B 5 -7.841 -1.809 -10.940 1.00 25.00 C ATOM 387 O HIS B 5 -8.201 -2.860 -10.435 1.00 25.00 O ATOM 388 CB HIS B 5 -9.835 -0.686 -9.835 1.00 25.00 C ATOM 389 CG HIS B 5 -10.954 0.346 -9.975 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.815 1.696 -9.699 1.00 25.00 N ATOM 391 CD2 HIS B 5 -12.251 0.220 -10.434 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.971 2.326 -9.935 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.832 1.462 -10.386 1.00 25.00 N ATOM 0 H HIS B 5 -10.583 -0.945 -12.192 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.286 0.265 -11.003 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.272 -1.681 -9.745 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.283 -0.496 -8.915 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.722 -0.692 -10.770 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -12.158 3.378 -9.777 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -13.791 1.675 -10.661 1.00 25.00 H new ATOM 402 N LEU B 6 -6.584 -1.633 -11.374 1.00 25.00 N ATOM 403 CA LEU B 6 -5.572 -2.720 -11.267 1.00 25.00 C ATOM 404 C LEU B 6 -5.208 -3.117 -9.843 1.00 25.00 C ATOM 405 O LEU B 6 -4.720 -2.329 -9.063 1.00 25.00 O ATOM 406 CB LEU B 6 -4.304 -2.340 -12.021 1.00 25.00 C ATOM 407 CG LEU B 6 -4.217 -2.543 -13.558 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.902 -3.815 -14.000 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.769 -1.346 -14.293 1.00 25.00 C ATOM 0 H LEU B 6 -6.239 -0.771 -11.796 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.048 -3.593 -11.714 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.115 -1.285 -11.823 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.483 -2.900 -11.574 1.00 25.00 H new ATOM 0 HG LEU B 6 -3.162 -2.642 -13.812 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.817 -3.917 -15.082 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.429 -4.670 -13.517 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.955 -3.777 -13.721 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.696 -1.514 -15.368 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.814 -1.200 -14.018 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.196 -0.458 -14.025 1.00 25.00 H new ATOM 421 N CYS B 7 -5.365 -4.391 -9.565 1.00 25.00 N ATOM 422 CA CYS B 7 -4.992 -4.969 -8.276 1.00 25.00 C ATOM 423 C CYS B 7 -4.804 -6.478 -8.471 1.00 25.00 C ATOM 424 O CYS B 7 -5.140 -7.010 -9.547 1.00 25.00 O ATOM 425 CB CYS B 7 -6.087 -4.710 -7.247 1.00 25.00 C ATOM 426 SG CYS B 7 -5.522 -4.716 -5.506 1.00 25.00 S ATOM 0 H CYS B 7 -5.756 -5.065 -10.223 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.070 -4.515 -7.913 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.547 -3.745 -7.462 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.863 -5.466 -7.365 1.00 25.00 H new HETATM 431 N AIB B 8 -4.273 -7.176 -7.434 1.00 25.00 N HETATM 432 CA AIB B 8 -3.869 -8.619 -7.446 1.00 25.00 C HETATM 433 C AIB B 8 -3.054 -9.013 -8.719 1.00 25.00 C HETATM 434 O AIB B 8 -2.156 -8.286 -9.151 1.00 25.00 O HETATM 435 CB1 AIB B 8 -5.214 -9.469 -7.223 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.931 -8.879 -6.240 1.00 25.00 C HETATM 0 H AIB B 8 -4.105 -6.738 -6.528 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.976 -10.533 -7.223 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.662 -9.197 -6.267 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.918 -9.254 -8.027 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -2.628 -9.926 -6.234 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -2.048 -8.246 -6.323 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -3.457 -8.649 -5.314 1.00 25.00 H new ATOM 444 N SER B 9 -3.372 -10.213 -9.326 1.00 25.00 N ATOM 445 CA SER B 9 -2.678 -10.736 -10.501 1.00 25.00 C ATOM 446 C SER B 9 -2.807 -9.777 -11.689 1.00 25.00 C ATOM 447 O SER B 9 -1.943 -9.698 -12.530 1.00 25.00 O ATOM 448 CB SER B 9 -3.272 -12.145 -10.831 1.00 25.00 C ATOM 449 OG SER B 9 -2.736 -12.735 -11.996 1.00 25.00 O ATOM 0 H SER B 9 -4.120 -10.821 -8.992 1.00 25.00 H new ATOM 0 HA SER B 9 -1.612 -10.830 -10.294 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.096 -12.810 -9.985 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.352 -12.055 -10.946 1.00 25.00 H new ATOM 0 HG SER B 9 -3.151 -13.611 -12.139 1.00 25.00 H new ATOM 455 N HIS B 10 -3.875 -9.031 -11.762 1.00 25.00 N ATOM 456 CA HIS B 10 -4.134 -8.163 -12.936 1.00 25.00 C ATOM 457 C HIS B 10 -3.136 -7.022 -12.936 1.00 25.00 C ATOM 458 O HIS B 10 -2.661 -6.629 -13.976 1.00 25.00 O ATOM 459 CB HIS B 10 -5.608 -7.614 -12.950 1.00 25.00 C ATOM 460 CG HIS B 10 -6.629 -8.589 -12.461 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.258 -9.573 -13.247 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.153 -8.762 -11.225 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.087 -10.268 -12.486 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.035 -9.800 -11.267 1.00 25.00 N ATOM 0 H HIS B 10 -4.593 -8.989 -11.038 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.014 -8.760 -13.840 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.655 -6.716 -12.334 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.864 -7.317 -13.967 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -6.912 -8.175 -10.351 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.706 -11.088 -12.818 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.569 -10.155 -10.474 1.00 25.00 H new ATOM 473 N LEU B 11 -2.750 -6.572 -11.754 1.00 25.00 N ATOM 474 CA LEU B 11 -1.707 -5.553 -11.596 1.00 25.00 C ATOM 475 C LEU B 11 -0.345 -6.154 -12.062 1.00 25.00 C ATOM 476 O LEU B 11 0.357 -5.529 -12.828 1.00 25.00 O ATOM 477 CB LEU B 11 -1.689 -5.082 -10.134 1.00 25.00 C ATOM 478 CG LEU B 11 -0.819 -3.885 -9.669 1.00 25.00 C ATOM 479 CD1 LEU B 11 -1.244 -3.504 -8.285 1.00 25.00 C ATOM 480 CD2 LEU B 11 0.670 -4.212 -9.712 1.00 25.00 C ATOM 0 H LEU B 11 -3.146 -6.898 -10.872 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.904 -4.677 -12.214 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.719 -4.845 -9.867 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.392 -5.940 -9.531 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.969 -3.048 -10.351 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.644 -2.663 -7.939 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.296 -3.220 -8.293 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.102 -4.352 -7.614 1.00 25.00 H new ATOM 0 HD21 LEU B 11 1.242 -3.346 -9.379 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.876 -5.058 -9.056 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.957 -4.466 -10.732 1.00 25.00 H new ATOM 492 N VAL B 12 -0.019 -7.364 -11.613 1.00 25.00 N ATOM 493 CA VAL B 12 1.217 -8.050 -11.991 1.00 25.00 C ATOM 494 C VAL B 12 1.330 -8.155 -13.515 1.00 25.00 C ATOM 495 O VAL B 12 2.319 -7.779 -14.095 1.00 25.00 O ATOM 496 CB VAL B 12 1.267 -9.476 -11.433 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.614 -10.187 -11.925 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.242 -9.507 -9.892 1.00 25.00 C ATOM 0 H VAL B 12 -0.607 -7.900 -10.974 1.00 25.00 H new ATOM 0 HA VAL B 12 2.036 -7.461 -11.578 1.00 25.00 H new ATOM 0 HB VAL B 12 0.382 -9.997 -11.799 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.655 -11.202 -11.531 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.631 -10.220 -13.014 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.475 -9.624 -11.566 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.279 -10.541 -9.548 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.103 -8.964 -9.503 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.326 -9.038 -9.533 1.00 25.00 H new ATOM 508 N GLU B 13 0.273 -8.605 -14.180 1.00 25.00 N ATOM 509 CA GLU B 13 0.244 -8.745 -15.671 1.00 25.00 C ATOM 510 C GLU B 13 0.399 -7.383 -16.361 1.00 25.00 C ATOM 511 O GLU B 13 1.126 -7.249 -17.338 1.00 25.00 O ATOM 512 CB GLU B 13 -1.106 -9.345 -16.136 1.00 25.00 C ATOM 513 CG GLU B 13 -1.124 -9.763 -17.595 1.00 25.00 C ATOM 514 CD GLU B 13 -0.395 -11.053 -17.841 1.00 25.00 C ATOM 515 OE1 GLU B 13 0.751 -11.108 -18.173 1.00 25.00 O ATOM 516 OE2 GLU B 13 -1.135 -12.084 -17.762 1.00 25.00 O ATOM 0 H GLU B 13 -0.595 -8.888 -13.724 1.00 25.00 H new ATOM 0 HA GLU B 13 1.072 -9.400 -15.942 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.340 -10.211 -15.517 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -1.895 -8.612 -15.969 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.157 -9.866 -17.926 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.673 -8.976 -18.199 1.00 25.00 H new ATOM 524 N ALA B 14 -0.367 -6.398 -15.913 1.00 25.00 N ATOM 525 CA ALA B 14 -0.329 -5.072 -16.500 1.00 25.00 C ATOM 526 C ALA B 14 1.094 -4.486 -16.418 1.00 25.00 C ATOM 527 O ALA B 14 1.597 -3.981 -17.400 1.00 25.00 O ATOM 528 CB ALA B 14 -1.292 -4.162 -15.808 1.00 25.00 C ATOM 0 H ALA B 14 -1.025 -6.497 -15.140 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.617 -5.157 -17.548 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.248 -3.172 -16.263 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.302 -4.561 -15.903 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.029 -4.088 -14.753 1.00 25.00 H new ATOM 534 N LEU B 15 1.711 -4.608 -15.258 1.00 25.00 N ATOM 535 CA LEU B 15 3.040 -4.077 -15.035 1.00 25.00 C ATOM 536 C LEU B 15 4.047 -4.815 -15.893 1.00 25.00 C ATOM 537 O LEU B 15 4.963 -4.173 -16.437 1.00 25.00 O ATOM 538 CB LEU B 15 3.406 -4.241 -13.558 1.00 25.00 C ATOM 539 CG LEU B 15 4.321 -3.194 -12.900 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.600 -3.755 -11.456 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.661 -2.916 -13.610 1.00 25.00 C ATOM 0 H LEU B 15 1.306 -5.076 -14.447 1.00 25.00 H new ATOM 0 HA LEU B 15 3.055 -3.021 -15.304 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.477 -4.271 -12.989 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.882 -5.215 -13.442 1.00 25.00 H new ATOM 0 HG LEU B 15 3.813 -2.230 -12.933 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.249 -3.065 -10.917 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.658 -3.862 -10.919 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.087 -4.727 -11.531 1.00 25.00 H new ATOM 0 HD21 LEU B 15 6.218 -2.162 -13.054 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.244 -3.835 -13.659 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.469 -2.554 -14.620 1.00 25.00 H new ATOM 553 N TYR B 16 3.845 -6.107 -16.042 1.00 25.00 N ATOM 554 CA TYR B 16 4.718 -6.928 -16.912 1.00 25.00 C ATOM 555 C TYR B 16 4.560 -6.525 -18.377 1.00 25.00 C ATOM 556 O TYR B 16 5.568 -6.367 -19.051 1.00 25.00 O ATOM 557 CB TYR B 16 4.439 -8.394 -16.704 1.00 25.00 C ATOM 558 CG TYR B 16 5.070 -9.285 -17.759 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.430 -9.639 -17.738 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.247 -9.808 -18.826 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.976 -10.513 -18.695 1.00 25.00 C ATOM 562 CE2 TYR B 16 4.799 -10.661 -19.793 1.00 25.00 C ATOM 563 CZ TYR B 16 6.165 -11.033 -19.730 1.00 25.00 C ATOM 564 OH TYR B 16 6.649 -11.886 -20.688 1.00 25.00 O ATOM 0 H TYR B 16 3.095 -6.625 -15.584 1.00 25.00 H new ATOM 0 HA TYR B 16 5.756 -6.745 -16.636 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.807 -8.690 -15.722 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.361 -8.554 -16.702 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.070 -9.231 -16.970 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.202 -9.541 -18.879 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.019 -10.788 -18.639 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.178 -11.037 -20.592 1.00 25.00 H new ATOM 0 HH TYR B 16 5.928 -12.127 -21.306 1.00 25.00 H new ATOM 574 N LEU B 17 3.339 -6.304 -18.834 1.00 25.00 N ATOM 575 CA LEU B 17 3.101 -5.898 -20.215 1.00 25.00 C ATOM 576 C LEU B 17 3.620 -4.513 -20.540 1.00 25.00 C ATOM 577 O LEU B 17 4.063 -4.270 -21.649 1.00 25.00 O ATOM 578 CB LEU B 17 1.563 -5.844 -20.526 1.00 25.00 C ATOM 579 CG LEU B 17 0.854 -7.205 -20.571 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.646 -7.042 -20.589 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.341 -8.017 -21.764 1.00 25.00 C ATOM 0 H LEU B 17 2.494 -6.398 -18.271 1.00 25.00 H new ATOM 0 HA LEU B 17 3.628 -6.644 -20.809 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.078 -5.225 -19.771 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.420 -5.347 -21.485 1.00 25.00 H new ATOM 0 HG LEU B 17 1.106 -7.752 -19.663 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.118 -8.024 -20.621 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.965 -6.515 -19.690 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.939 -6.470 -21.469 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.829 -8.979 -21.782 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.127 -7.475 -22.685 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.416 -8.179 -21.680 1.00 25.00 H new ATOM 593 N VAL B 18 3.469 -3.595 -19.614 1.00 25.00 N ATOM 594 CA VAL B 18 3.864 -2.237 -19.904 1.00 25.00 C ATOM 595 C VAL B 18 5.367 -2.102 -19.760 1.00 25.00 C ATOM 596 O VAL B 18 5.979 -1.353 -20.530 1.00 25.00 O ATOM 597 CB VAL B 18 3.085 -1.181 -19.071 1.00 25.00 C ATOM 598 CG1 VAL B 18 3.427 -1.215 -17.601 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.336 0.245 -19.642 1.00 25.00 C ATOM 0 H VAL B 18 3.088 -3.755 -18.682 1.00 25.00 H new ATOM 0 HA VAL B 18 3.595 -2.023 -20.938 1.00 25.00 H new ATOM 0 HB VAL B 18 2.029 -1.436 -19.155 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.850 -0.454 -17.075 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.187 -2.197 -17.194 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.491 -1.018 -17.470 1.00 25.00 H new ATOM 0 HG21 VAL B 18 2.785 0.976 -19.050 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.401 0.472 -19.599 1.00 25.00 H new ATOM 0 HG23 VAL B 18 2.998 0.287 -20.677 1.00 25.00 H new ATOM 609 N CYS B 19 6.033 -2.791 -18.834 1.00 25.00 N ATOM 610 CA CYS B 19 7.522 -2.609 -18.737 1.00 25.00 C ATOM 611 C CYS B 19 8.253 -3.523 -19.746 1.00 25.00 C ATOM 612 O CYS B 19 9.284 -3.120 -20.321 1.00 25.00 O ATOM 613 CB CYS B 19 7.958 -2.920 -17.317 1.00 25.00 C ATOM 614 SG CYS B 19 9.534 -2.097 -16.982 1.00 25.00 S ATOM 0 H CYS B 19 5.620 -3.445 -18.169 1.00 25.00 H new ATOM 0 HA CYS B 19 7.780 -1.579 -18.982 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.201 -2.582 -16.610 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.061 -3.997 -17.184 1.00 25.00 H new ATOM 619 N GLY B 20 7.718 -4.696 -20.045 1.00 25.00 N ATOM 620 CA GLY B 20 8.296 -5.591 -21.024 1.00 25.00 C ATOM 621 C GLY B 20 8.770 -6.892 -20.409 1.00 25.00 C ATOM 622 O GLY B 20 8.568 -7.175 -19.249 1.00 25.00 O ATOM 0 H GLY B 20 6.866 -5.052 -19.611 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.558 -5.805 -21.797 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.135 -5.097 -21.513 1.00 25.00 H new ATOM 626 N GLU B 21 9.401 -7.698 -21.243 1.00 25.00 N ATOM 627 CA GLU B 21 9.849 -9.048 -20.870 1.00 25.00 C ATOM 628 C GLU B 21 10.948 -9.001 -19.815 1.00 25.00 C ATOM 629 O GLU B 21 11.044 -9.845 -18.954 1.00 25.00 O ATOM 630 CB GLU B 21 10.348 -9.799 -22.109 1.00 25.00 C ATOM 631 CG GLU B 21 9.276 -10.293 -22.979 1.00 25.00 C ATOM 632 CD GLU B 21 9.803 -10.686 -24.358 1.00 25.00 C ATOM 633 OE1 GLU B 21 10.623 -10.077 -24.950 1.00 25.00 O ATOM 634 OE2 GLU B 21 9.344 -11.786 -24.849 1.00 25.00 O ATOM 0 H GLU B 21 9.623 -7.443 -22.205 1.00 25.00 H new ATOM 0 HA GLU B 21 8.995 -9.576 -20.444 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.995 -9.138 -22.686 1.00 25.00 H new ATOM 0 HB3 GLU B 21 10.959 -10.642 -21.788 1.00 25.00 H new ATOM 0 HG2 GLU B 21 8.797 -11.154 -22.513 1.00 25.00 H new ATOM 0 HG3 GLU B 21 8.512 -9.524 -23.087 1.00 25.00 H new ATOM 642 N ARG B 22 11.694 -7.892 -19.840 1.00 25.00 N ATOM 643 CA ARG B 22 12.709 -7.597 -18.848 1.00 25.00 C ATOM 644 C ARG B 22 12.062 -6.864 -17.661 1.00 25.00 C ATOM 645 O ARG B 22 12.515 -5.844 -17.251 1.00 25.00 O ATOM 646 CB ARG B 22 13.804 -6.703 -19.502 1.00 25.00 C ATOM 647 CG ARG B 22 14.350 -7.269 -20.818 1.00 25.00 C ATOM 648 CD ARG B 22 13.761 -6.530 -22.007 1.00 25.00 C ATOM 649 NE ARG B 22 14.177 -5.112 -21.999 1.00 25.00 N ATOM 650 CZ ARG B 22 13.714 -4.168 -22.820 1.00 25.00 C ATOM 651 NH1 ARG B 22 12.834 -4.450 -23.749 1.00 25.00 N ATOM 652 NH2 ARG B 22 14.134 -2.936 -22.712 1.00 25.00 N ATOM 0 H ARG B 22 11.603 -7.174 -20.559 1.00 25.00 H new ATOM 0 HA ARG B 22 13.164 -8.519 -18.486 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.390 -5.712 -19.686 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.628 -6.579 -18.799 1.00 25.00 H new ATOM 0 HG2 ARG B 22 15.437 -7.184 -20.833 1.00 25.00 H new ATOM 0 HG3 ARG B 22 14.112 -8.330 -20.889 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.086 -7.004 -22.933 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.673 -6.595 -21.980 1.00 25.00 H new ATOM 0 HE ARG B 22 14.875 -4.832 -21.310 1.00 25.00 H new ATOM 0 HH11 ARG B 22 12.491 -5.405 -23.854 1.00 25.00 H new ATOM 0 HH12 ARG B 22 12.492 -3.715 -24.367 1.00 25.00 H new ATOM 0 HH21 ARG B 22 14.819 -2.692 -21.997 1.00 25.00 H new ATOM 0 HH22 ARG B 22 13.777 -2.218 -23.342 1.00 25.00 H new ATOM 666 N GLY B 23 10.957 -7.417 -17.178 1.00 25.00 N ATOM 667 CA GLY B 23 10.120 -6.766 -16.191 1.00 25.00 C ATOM 668 C GLY B 23 10.707 -6.399 -14.803 1.00 25.00 C ATOM 669 O GLY B 23 11.896 -6.551 -14.478 1.00 25.00 O ATOM 0 H GLY B 23 10.618 -8.335 -17.465 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.745 -5.846 -16.639 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.258 -7.411 -16.019 1.00 25.00 H new ATOM 673 N PHE B 24 9.803 -5.872 -13.999 1.00 25.00 N ATOM 674 CA PHE B 24 10.074 -5.437 -12.657 1.00 25.00 C ATOM 675 C PHE B 24 10.631 -6.543 -11.730 1.00 25.00 C ATOM 676 O PHE B 24 10.455 -7.741 -12.001 1.00 25.00 O ATOM 677 CB PHE B 24 8.787 -4.836 -12.050 1.00 25.00 C ATOM 678 CG PHE B 24 7.703 -5.856 -11.766 1.00 25.00 C ATOM 679 CD1 PHE B 24 6.919 -6.404 -12.794 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.465 -6.256 -10.425 1.00 25.00 C ATOM 681 CE1 PHE B 24 5.895 -7.349 -12.512 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.410 -7.199 -10.132 1.00 25.00 C ATOM 683 CZ PHE B 24 5.674 -7.748 -11.158 1.00 25.00 C ATOM 0 H PHE B 24 8.832 -5.734 -14.278 1.00 25.00 H new ATOM 0 HA PHE B 24 10.863 -4.688 -12.726 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.041 -4.323 -11.122 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.393 -4.083 -12.733 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.097 -6.103 -13.816 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.071 -5.856 -9.625 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.293 -7.759 -13.309 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.199 -7.473 -9.109 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.920 -8.489 -10.937 1.00 25.00 H new ATOM 693 N PHE B 25 11.256 -6.100 -10.634 1.00 25.00 N ATOM 694 CA PHE B 25 11.881 -6.998 -9.676 1.00 25.00 C ATOM 695 C PHE B 25 11.173 -6.976 -8.321 1.00 25.00 C ATOM 696 O PHE B 25 10.100 -6.419 -8.220 1.00 25.00 O ATOM 697 CB PHE B 25 13.366 -6.576 -9.546 1.00 25.00 C ATOM 698 CG PHE B 25 14.339 -7.577 -10.222 1.00 25.00 C ATOM 699 CD1 PHE B 25 14.746 -8.791 -9.595 1.00 25.00 C ATOM 700 CD2 PHE B 25 14.840 -7.291 -11.515 1.00 25.00 C ATOM 701 CE1 PHE B 25 15.620 -9.641 -10.221 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.703 -8.197 -12.175 1.00 25.00 C ATOM 703 CZ PHE B 25 16.123 -9.352 -11.505 1.00 25.00 C ATOM 0 H PHE B 25 11.339 -5.112 -10.393 1.00 25.00 H new ATOM 0 HA PHE B 25 11.806 -8.026 -10.030 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.499 -5.590 -9.992 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.622 -6.485 -8.490 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.362 -9.043 -8.618 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.560 -6.370 -12.004 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.928 -10.548 -9.722 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.034 -8.000 -13.184 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.831 -10.021 -11.971 1.00 25.00 H new ATOM 713 N TYR B 26 11.797 -7.525 -7.278 1.00 25.00 N ATOM 714 CA TYR B 26 11.214 -7.570 -5.939 1.00 25.00 C ATOM 715 C TYR B 26 9.779 -8.086 -5.813 1.00 25.00 C ATOM 716 O TYR B 26 8.788 -7.381 -5.466 1.00 25.00 O ATOM 717 CB TYR B 26 11.344 -6.220 -5.254 1.00 25.00 C ATOM 718 CG TYR B 26 11.339 -6.355 -3.767 1.00 25.00 C ATOM 719 CD1 TYR B 26 12.470 -6.820 -3.060 1.00 25.00 C ATOM 720 CD2 TYR B 26 10.147 -6.115 -3.053 1.00 25.00 C ATOM 721 CE1 TYR B 26 12.415 -7.035 -1.682 1.00 25.00 C ATOM 722 CE2 TYR B 26 10.071 -6.385 -1.661 1.00 25.00 C ATOM 723 CZ TYR B 26 11.188 -6.822 -1.006 1.00 25.00 C ATOM 724 OH TYR B 26 11.113 -7.043 0.330 1.00 25.00 O ATOM 0 H TYR B 26 12.722 -7.951 -7.339 1.00 25.00 H new ATOM 0 HA TYR B 26 11.808 -8.333 -5.437 1.00 25.00 H new ATOM 0 HB2 TYR B 26 12.268 -5.737 -5.573 1.00 25.00 H new ATOM 0 HB3 TYR B 26 10.523 -5.574 -5.564 1.00 25.00 H new ATOM 0 HD1 TYR B 26 13.390 -7.012 -3.593 1.00 25.00 H new ATOM 0 HD2 TYR B 26 9.284 -5.722 -3.570 1.00 25.00 H new ATOM 0 HE1 TYR B 26 13.292 -7.358 -1.141 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.143 -6.247 -1.127 1.00 25.00 H new ATOM 0 HH TYR B 26 10.205 -6.850 0.643 1.00 25.00 H new ATOM 734 N THR B 27 9.684 -9.408 -5.984 1.00 25.00 N ATOM 735 CA THR B 27 8.457 -10.153 -5.655 1.00 25.00 C ATOM 736 C THR B 27 8.890 -11.163 -4.640 1.00 25.00 C ATOM 737 O THR B 27 9.747 -11.980 -4.922 1.00 25.00 O ATOM 738 CB THR B 27 7.920 -10.917 -6.891 1.00 25.00 C ATOM 739 OG1 THR B 27 9.006 -11.209 -7.770 1.00 25.00 O ATOM 740 CG2 THR B 27 6.880 -10.152 -7.669 1.00 25.00 C ATOM 0 H THR B 27 10.440 -9.988 -6.348 1.00 25.00 H new ATOM 0 HA THR B 27 7.671 -9.482 -5.308 1.00 25.00 H new ATOM 0 HB THR B 27 7.445 -11.822 -6.511 1.00 25.00 H new ATOM 0 HG1 THR B 27 8.672 -11.694 -8.553 1.00 25.00 H new ATOM 0 HG21 THR B 27 6.550 -10.748 -8.520 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.028 -9.938 -7.024 1.00 25.00 H new ATOM 0 HG23 THR B 27 7.309 -9.216 -8.027 1.00 25.00 H new ATOM 748 N LYS B 28 8.387 -11.073 -3.410 1.00 25.00 N ATOM 749 CA LYS B 28 8.799 -11.991 -2.358 1.00 25.00 C ATOM 750 C LYS B 28 8.447 -13.431 -2.719 1.00 25.00 C ATOM 751 O LYS B 28 7.299 -13.736 -3.033 1.00 25.00 O ATOM 752 CB LYS B 28 8.064 -11.608 -1.060 1.00 25.00 C ATOM 753 CG LYS B 28 8.389 -10.243 -0.507 1.00 25.00 C ATOM 754 CD LYS B 28 7.651 -9.980 0.814 1.00 25.00 C ATOM 755 CE LYS B 28 8.054 -8.576 1.390 1.00 25.00 C ATOM 756 NZ LYS B 28 7.346 -8.347 2.694 1.00 25.00 N ATOM 0 H LYS B 28 7.699 -10.378 -3.122 1.00 25.00 H new ATOM 0 HA LYS B 28 9.879 -11.921 -2.231 1.00 25.00 H new ATOM 0 HB2 LYS B 28 6.991 -11.661 -1.242 1.00 25.00 H new ATOM 0 HB3 LYS B 28 8.295 -12.353 -0.299 1.00 25.00 H new ATOM 0 HG2 LYS B 28 9.464 -10.161 -0.347 1.00 25.00 H new ATOM 0 HG3 LYS B 28 8.116 -9.480 -1.236 1.00 25.00 H new ATOM 0 HD2 LYS B 28 6.574 -10.019 0.651 1.00 25.00 H new ATOM 0 HD3 LYS B 28 7.893 -10.760 1.536 1.00 25.00 H new ATOM 0 HE2 LYS B 28 9.133 -8.527 1.537 1.00 25.00 H new ATOM 0 HE3 LYS B 28 7.793 -7.791 0.680 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 7.613 -7.417 3.075 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 6.318 -8.376 2.541 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 7.616 -9.089 3.371 1.00 25.00 H new ATOM 770 N PRO B 29 9.405 -14.358 -2.601 1.00 25.00 N ATOM 771 CA PRO B 29 9.014 -15.757 -2.808 1.00 25.00 C ATOM 772 C PRO B 29 8.192 -16.306 -1.669 1.00 25.00 C ATOM 773 O PRO B 29 8.660 -16.580 -0.589 1.00 25.00 O ATOM 774 CB PRO B 29 10.390 -16.467 -2.891 1.00 25.00 C ATOM 775 CG PRO B 29 11.263 -15.674 -2.003 1.00 25.00 C ATOM 776 CD PRO B 29 10.854 -14.239 -2.234 1.00 25.00 C ATOM 0 HA PRO B 29 8.381 -15.894 -3.685 1.00 25.00 H new ATOM 0 HB2 PRO B 29 10.323 -17.504 -2.561 1.00 25.00 H new ATOM 0 HB3 PRO B 29 10.769 -16.481 -3.913 1.00 25.00 H new ATOM 0 HG2 PRO B 29 11.129 -15.960 -0.960 1.00 25.00 H new ATOM 0 HG3 PRO B 29 12.315 -15.828 -2.243 1.00 25.00 H new ATOM 0 HD2 PRO B 29 10.996 -13.630 -1.341 1.00 25.00 H new ATOM 0 HD3 PRO B 29 11.436 -13.776 -3.031 1.00 25.00 H new ATOM 784 N THR B 30 6.859 -16.399 -1.831 1.00 25.00 N ATOM 785 CA THR B 30 5.962 -16.871 -0.787 1.00 25.00 C ATOM 786 C THR B 30 6.244 -18.336 -0.407 1.00 25.00 C ATOM 787 O THR B 30 6.091 -18.819 0.711 1.00 25.00 O ATOM 788 CB THR B 30 4.497 -16.711 -1.267 1.00 25.00 C ATOM 789 OG1 THR B 30 3.614 -17.177 -0.268 1.00 25.00 O ATOM 790 CG2 THR B 30 4.151 -17.495 -2.559 1.00 25.00 C ATOM 791 OXT THR B 30 6.668 -19.024 -1.392 1.00 25.00 O ATOM 0 H THR B 30 6.383 -16.145 -2.697 1.00 25.00 H new ATOM 0 HA THR B 30 6.129 -16.271 0.107 1.00 25.00 H new ATOM 0 HB THR B 30 4.387 -15.647 -1.475 1.00 25.00 H new ATOM 0 HG1 THR B 30 2.689 -17.073 -0.574 1.00 25.00 H new ATOM 0 HG21 THR B 30 3.107 -17.324 -2.820 1.00 25.00 H new ATOM 0 HG22 THR B 30 4.789 -17.153 -3.374 1.00 25.00 H new ATOM 0 HG23 THR B 30 4.314 -18.560 -2.393 1.00 25.00 H new TER 800 THR B 30