USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 280 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 26 ASN : amide:sc= -2.29! C(o=-2.5!,f=-16!) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0611 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 8:sc= 0.178 USER MOD Single : A 5 SER OG : rot -92:sc= 0.798 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.89 K(o=-1.9,f=-6.3!) USER MOD Single : A 14 SER OG : rot 31:sc= 0.557 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.274 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 19:sc= -1.18 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 178:sc= 1.07 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 12:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.739 9.689 -17.195 1.00 0.00 N ATOM 2 CA GLY A 1 -10.556 8.303 -16.804 1.00 0.00 C ATOM 3 C GLY A 1 -9.708 8.161 -15.556 1.00 0.00 C ATOM 4 O GLY A 1 -9.001 9.091 -15.168 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.748 9.934 -17.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.199 10.305 -16.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.401 9.822 -18.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.530 7.845 -16.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.087 7.756 -17.622 1.00 0.00 H new ATOM 8 N SER A 2 -9.779 6.993 -14.924 1.00 0.00 N ATOM 9 CA SER A 2 -9.015 6.734 -13.709 1.00 0.00 C ATOM 10 C SER A 2 -7.545 6.489 -14.033 1.00 0.00 C ATOM 11 O SER A 2 -7.217 5.751 -14.962 1.00 0.00 O ATOM 12 CB SER A 2 -9.593 5.528 -12.966 1.00 0.00 C ATOM 13 OG SER A 2 -10.720 5.899 -12.191 1.00 0.00 O ATOM 0 H SER A 2 -10.357 6.212 -15.233 1.00 0.00 H new ATOM 0 HA SER A 2 -9.086 7.614 -13.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.878 4.758 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.830 5.095 -12.320 1.00 0.00 H new ATOM 0 HG SER A 2 -11.072 5.111 -11.727 1.00 0.00 H new ATOM 19 N SER A 3 -6.663 7.113 -13.260 1.00 0.00 N ATOM 20 CA SER A 3 -5.226 6.967 -13.466 1.00 0.00 C ATOM 21 C SER A 3 -4.478 7.032 -12.138 1.00 0.00 C ATOM 22 O SER A 3 -4.457 8.067 -11.474 1.00 0.00 O ATOM 23 CB SER A 3 -4.711 8.056 -14.408 1.00 0.00 C ATOM 24 OG SER A 3 -5.070 7.780 -15.751 1.00 0.00 O ATOM 0 H SER A 3 -6.918 7.725 -12.485 1.00 0.00 H new ATOM 0 HA SER A 3 -5.046 5.991 -13.918 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.119 9.022 -14.110 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.627 8.129 -14.326 1.00 0.00 H new ATOM 0 HG SER A 3 -5.681 7.014 -15.776 1.00 0.00 H new ATOM 30 N GLY A 4 -3.863 5.916 -11.757 1.00 0.00 N ATOM 31 CA GLY A 4 -3.122 5.866 -10.511 1.00 0.00 C ATOM 32 C GLY A 4 -2.035 4.809 -10.525 1.00 0.00 C ATOM 33 O GLY A 4 -1.412 4.564 -11.557 1.00 0.00 O ATOM 0 H GLY A 4 -3.865 5.046 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.674 6.841 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.810 5.664 -9.690 1.00 0.00 H new ATOM 37 N SER A 5 -1.805 4.184 -9.375 1.00 0.00 N ATOM 38 CA SER A 5 -0.782 3.151 -9.257 1.00 0.00 C ATOM 39 C SER A 5 -1.338 1.911 -8.566 1.00 0.00 C ATOM 40 O SER A 5 -1.636 1.933 -7.371 1.00 0.00 O ATOM 41 CB SER A 5 0.424 3.685 -8.480 1.00 0.00 C ATOM 42 OG SER A 5 1.496 2.759 -8.505 1.00 0.00 O ATOM 0 H SER A 5 -2.313 4.375 -8.511 1.00 0.00 H new ATOM 0 HA SER A 5 -0.464 2.873 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.748 4.633 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.136 3.885 -7.448 1.00 0.00 H new ATOM 0 HG SER A 5 1.443 2.176 -7.719 1.00 0.00 H new ATOM 48 N SER A 6 -1.476 0.829 -9.325 1.00 0.00 N ATOM 49 CA SER A 6 -2.001 -0.421 -8.788 1.00 0.00 C ATOM 50 C SER A 6 -1.390 -0.724 -7.423 1.00 0.00 C ATOM 51 O SER A 6 -2.100 -0.844 -6.426 1.00 0.00 O ATOM 52 CB SER A 6 -1.718 -1.574 -9.753 1.00 0.00 C ATOM 53 OG SER A 6 -2.525 -1.478 -10.913 1.00 0.00 O ATOM 0 H SER A 6 -1.231 0.793 -10.315 1.00 0.00 H new ATOM 0 HA SER A 6 -3.079 -0.313 -8.669 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.666 -1.565 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.905 -2.525 -9.254 1.00 0.00 H new ATOM 0 HG SER A 6 -2.324 -2.225 -11.514 1.00 0.00 H new ATOM 59 N GLY A 7 -0.067 -0.847 -7.387 1.00 0.00 N ATOM 60 CA GLY A 7 0.619 -1.135 -6.141 1.00 0.00 C ATOM 61 C GLY A 7 1.659 -0.088 -5.796 1.00 0.00 C ATOM 62 O GLY A 7 2.041 0.722 -6.642 1.00 0.00 O ATOM 0 H GLY A 7 0.543 -0.752 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.111 -1.197 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.100 -2.111 -6.212 1.00 0.00 H new ATOM 66 N LEU A 8 2.119 -0.101 -4.549 1.00 0.00 N ATOM 67 CA LEU A 8 3.121 0.856 -4.093 1.00 0.00 C ATOM 68 C LEU A 8 4.302 0.140 -3.446 1.00 0.00 C ATOM 69 O LEU A 8 4.173 -0.957 -2.904 1.00 0.00 O ATOM 70 CB LEU A 8 2.500 1.840 -3.100 1.00 0.00 C ATOM 71 CG LEU A 8 1.071 2.290 -3.406 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.572 3.248 -2.335 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.999 2.940 -4.780 1.00 0.00 C ATOM 0 H LEU A 8 1.814 -0.764 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 8 3.484 1.406 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.512 1.383 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.135 2.724 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 8 0.427 1.411 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.446 3.558 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.586 2.749 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.219 4.125 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.025 3.254 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.657 3.809 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.314 2.223 -5.538 1.00 0.00 H new ATOM 85 N PRO A 9 5.482 0.776 -3.502 1.00 0.00 N ATOM 86 CA PRO A 9 6.709 0.219 -2.924 1.00 0.00 C ATOM 87 C PRO A 9 6.677 0.206 -1.400 1.00 0.00 C ATOM 88 O PRO A 9 5.969 0.986 -0.763 1.00 0.00 O ATOM 89 CB PRO A 9 7.800 1.168 -3.428 1.00 0.00 C ATOM 90 CG PRO A 9 7.095 2.455 -3.682 1.00 0.00 C ATOM 91 CD PRO A 9 5.709 2.087 -4.133 1.00 0.00 C ATOM 0 HA PRO A 9 6.861 -0.821 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.592 1.289 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.268 0.787 -4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.062 3.066 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.611 3.039 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.972 2.822 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.642 2.027 -5.219 1.00 0.00 H new ATOM 99 N PRO A 10 7.463 -0.700 -0.799 1.00 0.00 N ATOM 100 CA PRO A 10 7.543 -0.836 0.659 1.00 0.00 C ATOM 101 C PRO A 10 8.243 0.350 1.313 1.00 0.00 C ATOM 102 O PRO A 10 9.462 0.348 1.482 1.00 0.00 O ATOM 103 CB PRO A 10 8.363 -2.114 0.851 1.00 0.00 C ATOM 104 CG PRO A 10 9.178 -2.232 -0.390 1.00 0.00 C ATOM 105 CD PRO A 10 8.334 -1.662 -1.496 1.00 0.00 C ATOM 0 HA PRO A 10 6.556 -0.873 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.996 -2.049 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.717 -2.982 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.116 -1.686 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.434 -3.272 -0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.944 -1.174 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.755 -2.436 -2.000 1.00 0.00 H new ATOM 113 N GLY A 11 7.464 1.362 1.681 1.00 0.00 N ATOM 114 CA GLY A 11 8.027 2.541 2.314 1.00 0.00 C ATOM 115 C GLY A 11 7.095 3.734 2.252 1.00 0.00 C ATOM 116 O GLY A 11 7.128 4.602 3.125 1.00 0.00 O ATOM 0 H GLY A 11 6.452 1.387 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.255 2.316 3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.970 2.795 1.829 1.00 0.00 H new ATOM 120 N TRP A 12 6.262 3.779 1.219 1.00 0.00 N ATOM 121 CA TRP A 12 5.317 4.877 1.046 1.00 0.00 C ATOM 122 C TRP A 12 4.040 4.626 1.840 1.00 0.00 C ATOM 123 O TRP A 12 3.619 3.482 2.009 1.00 0.00 O ATOM 124 CB TRP A 12 4.984 5.061 -0.435 1.00 0.00 C ATOM 125 CG TRP A 12 6.010 5.860 -1.180 1.00 0.00 C ATOM 126 CD1 TRP A 12 7.232 5.428 -1.608 1.00 0.00 C ATOM 127 CD2 TRP A 12 5.902 7.230 -1.583 1.00 0.00 C ATOM 128 NE1 TRP A 12 7.892 6.447 -2.253 1.00 0.00 N ATOM 129 CE2 TRP A 12 7.097 7.563 -2.251 1.00 0.00 C ATOM 130 CE3 TRP A 12 4.913 8.207 -1.445 1.00 0.00 C ATOM 131 CZ2 TRP A 12 7.326 8.831 -2.778 1.00 0.00 C ATOM 132 CZ3 TRP A 12 5.142 9.465 -1.968 1.00 0.00 C ATOM 133 CH2 TRP A 12 6.340 9.768 -2.629 1.00 0.00 C ATOM 0 H TRP A 12 6.221 3.068 0.488 1.00 0.00 H new ATOM 0 HA TRP A 12 5.783 5.788 1.422 1.00 0.00 H new ATOM 0 HB2 TRP A 12 4.887 4.081 -0.903 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.016 5.554 -0.524 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.623 4.432 -1.461 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.822 6.383 -2.666 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.986 7.983 -0.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.249 9.067 -3.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.385 10.228 -1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.488 10.760 -3.029 1.00 0.00 H new ATOM 144 N GLN A 13 3.429 5.701 2.325 1.00 0.00 N ATOM 145 CA GLN A 13 2.199 5.596 3.102 1.00 0.00 C ATOM 146 C GLN A 13 0.988 5.978 2.258 1.00 0.00 C ATOM 147 O GLN A 13 1.105 6.731 1.291 1.00 0.00 O ATOM 148 CB GLN A 13 2.275 6.490 4.340 1.00 0.00 C ATOM 149 CG GLN A 13 3.086 5.888 5.477 1.00 0.00 C ATOM 150 CD GLN A 13 4.576 5.890 5.196 1.00 0.00 C ATOM 151 OE1 GLN A 13 5.034 6.481 4.217 1.00 0.00 O ATOM 152 NE2 GLN A 13 5.342 5.227 6.054 1.00 0.00 N ATOM 0 H GLN A 13 3.765 6.655 2.194 1.00 0.00 H new ATOM 0 HA GLN A 13 2.086 4.559 3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.713 7.448 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.264 6.693 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.892 6.447 6.392 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.755 4.865 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.921 4.751 6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.352 5.193 5.915 1.00 0.00 H new ATOM 161 N SER A 14 -0.176 5.453 2.630 1.00 0.00 N ATOM 162 CA SER A 14 -1.408 5.735 1.905 1.00 0.00 C ATOM 163 C SER A 14 -2.423 6.429 2.808 1.00 0.00 C ATOM 164 O SER A 14 -2.884 5.858 3.796 1.00 0.00 O ATOM 165 CB SER A 14 -2.005 4.441 1.347 1.00 0.00 C ATOM 166 OG SER A 14 -2.312 3.531 2.389 1.00 0.00 O ATOM 0 H SER A 14 -0.290 4.830 3.430 1.00 0.00 H new ATOM 0 HA SER A 14 -1.168 6.402 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.908 4.668 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.301 3.981 0.654 1.00 0.00 H new ATOM 0 HG SER A 14 -2.551 4.029 3.198 1.00 0.00 H new ATOM 172 N TYR A 15 -2.767 7.665 2.461 1.00 0.00 N ATOM 173 CA TYR A 15 -3.725 8.439 3.241 1.00 0.00 C ATOM 174 C TYR A 15 -4.959 8.775 2.410 1.00 0.00 C ATOM 175 O TYR A 15 -5.015 8.484 1.214 1.00 0.00 O ATOM 176 CB TYR A 15 -3.076 9.725 3.754 1.00 0.00 C ATOM 177 CG TYR A 15 -1.837 9.487 4.589 1.00 0.00 C ATOM 178 CD1 TYR A 15 -1.917 8.851 5.821 1.00 0.00 C ATOM 179 CD2 TYR A 15 -0.587 9.899 4.144 1.00 0.00 C ATOM 180 CE1 TYR A 15 -0.789 8.632 6.587 1.00 0.00 C ATOM 181 CE2 TYR A 15 0.548 9.683 4.903 1.00 0.00 C ATOM 182 CZ TYR A 15 0.441 9.050 6.123 1.00 0.00 C ATOM 183 OH TYR A 15 1.568 8.833 6.883 1.00 0.00 O ATOM 0 H TYR A 15 -2.396 8.152 1.645 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.036 7.833 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.815 10.355 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.804 10.277 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.878 8.522 6.187 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.501 10.396 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.869 8.137 7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.513 10.008 4.542 1.00 0.00 H new ATOM 0 HH TYR A 15 2.352 9.186 6.413 1.00 0.00 H new ATOM 193 N LEU A 16 -5.946 9.391 3.051 1.00 0.00 N ATOM 194 CA LEU A 16 -7.181 9.769 2.371 1.00 0.00 C ATOM 195 C LEU A 16 -7.473 11.254 2.561 1.00 0.00 C ATOM 196 O LEU A 16 -7.255 11.808 3.638 1.00 0.00 O ATOM 197 CB LEU A 16 -8.351 8.936 2.897 1.00 0.00 C ATOM 198 CG LEU A 16 -8.326 7.448 2.546 1.00 0.00 C ATOM 199 CD1 LEU A 16 -9.539 6.741 3.132 1.00 0.00 C ATOM 200 CD2 LEU A 16 -8.272 7.256 1.038 1.00 0.00 C ATOM 0 H LEU A 16 -5.916 9.639 4.040 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.055 9.575 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.381 9.032 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.277 9.364 2.513 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.429 7.007 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.504 5.683 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.534 6.848 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.449 7.184 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.255 6.191 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.150 7.712 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.372 7.727 0.643 1.00 0.00 H new ATOM 212 N SER A 17 -7.971 11.893 1.507 1.00 0.00 N ATOM 213 CA SER A 17 -8.292 13.315 1.556 1.00 0.00 C ATOM 214 C SER A 17 -9.451 13.576 2.513 1.00 0.00 C ATOM 215 O SER A 17 -10.249 12.690 2.820 1.00 0.00 O ATOM 216 CB SER A 17 -8.644 13.828 0.159 1.00 0.00 C ATOM 217 OG SER A 17 -10.035 13.720 -0.089 1.00 0.00 O ATOM 0 H SER A 17 -8.161 11.449 0.609 1.00 0.00 H new ATOM 0 HA SER A 17 -7.414 13.849 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.334 14.868 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.093 13.260 -0.590 1.00 0.00 H new ATOM 0 HG SER A 17 -10.234 14.056 -0.988 1.00 0.00 H new ATOM 223 N PRO A 18 -9.548 14.824 2.997 1.00 0.00 N ATOM 224 CA PRO A 18 -10.605 15.233 3.926 1.00 0.00 C ATOM 225 C PRO A 18 -11.976 15.280 3.259 1.00 0.00 C ATOM 226 O PRO A 18 -12.956 15.713 3.866 1.00 0.00 O ATOM 227 CB PRO A 18 -10.173 16.636 4.360 1.00 0.00 C ATOM 228 CG PRO A 18 -9.331 17.137 3.238 1.00 0.00 C ATOM 229 CD PRO A 18 -8.632 15.931 2.674 1.00 0.00 C ATOM 0 HA PRO A 18 -10.715 14.531 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.035 17.282 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.611 16.606 5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.943 17.624 2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.611 17.876 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.476 16.023 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.651 15.786 3.127 1.00 0.00 H new ATOM 237 N GLN A 19 -12.037 14.833 2.009 1.00 0.00 N ATOM 238 CA GLN A 19 -13.288 14.826 1.261 1.00 0.00 C ATOM 239 C GLN A 19 -13.686 13.404 0.879 1.00 0.00 C ATOM 240 O GLN A 19 -14.851 13.129 0.596 1.00 0.00 O ATOM 241 CB GLN A 19 -13.161 15.688 0.004 1.00 0.00 C ATOM 242 CG GLN A 19 -13.193 17.181 0.284 1.00 0.00 C ATOM 243 CD GLN A 19 -12.537 17.996 -0.813 1.00 0.00 C ATOM 244 OE1 GLN A 19 -12.808 17.796 -1.997 1.00 0.00 O ATOM 245 NE2 GLN A 19 -11.667 18.921 -0.424 1.00 0.00 N ATOM 0 H GLN A 19 -11.235 14.471 1.493 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.066 15.242 1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.228 15.442 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.971 15.438 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.228 17.503 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.689 17.380 1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.472 19.053 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.193 19.500 -1.118 1.00 0.00 H new ATOM 254 N GLY A 20 -12.708 12.503 0.873 1.00 0.00 N ATOM 255 CA GLY A 20 -12.976 11.120 0.523 1.00 0.00 C ATOM 256 C GLY A 20 -11.950 10.556 -0.440 1.00 0.00 C ATOM 257 O GLY A 20 -11.713 9.349 -0.468 1.00 0.00 O ATOM 0 H GLY A 20 -11.735 12.706 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.990 10.515 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.968 11.047 0.076 1.00 0.00 H new ATOM 261 N ARG A 21 -11.342 11.432 -1.234 1.00 0.00 N ATOM 262 CA ARG A 21 -10.338 11.014 -2.205 1.00 0.00 C ATOM 263 C ARG A 21 -9.192 10.276 -1.520 1.00 0.00 C ATOM 264 O ARG A 21 -9.100 10.255 -0.292 1.00 0.00 O ATOM 265 CB ARG A 21 -9.796 12.227 -2.964 1.00 0.00 C ATOM 266 CG ARG A 21 -9.352 11.910 -4.382 1.00 0.00 C ATOM 267 CD ARG A 21 -10.436 11.173 -5.153 1.00 0.00 C ATOM 268 NE ARG A 21 -10.321 9.724 -5.010 1.00 0.00 N ATOM 269 CZ ARG A 21 -11.337 8.886 -5.178 1.00 0.00 C ATOM 270 NH1 ARG A 21 -12.538 9.349 -5.494 1.00 0.00 N ATOM 271 NH2 ARG A 21 -11.152 7.580 -5.031 1.00 0.00 N ATOM 0 H ARG A 21 -11.527 12.435 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.814 10.334 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.566 12.998 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.953 12.643 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.100 12.835 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.447 11.303 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.415 11.495 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.375 11.439 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.410 9.334 -4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.684 10.352 -5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.316 8.702 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.229 7.220 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.933 6.937 -5.160 1.00 0.00 H new ATOM 285 N ARG A 22 -8.322 9.670 -2.322 1.00 0.00 N ATOM 286 CA ARG A 22 -7.184 8.929 -1.793 1.00 0.00 C ATOM 287 C ARG A 22 -5.875 9.455 -2.374 1.00 0.00 C ATOM 288 O ARG A 22 -5.742 9.613 -3.588 1.00 0.00 O ATOM 289 CB ARG A 22 -7.330 7.438 -2.104 1.00 0.00 C ATOM 290 CG ARG A 22 -6.170 6.594 -1.601 1.00 0.00 C ATOM 291 CD ARG A 22 -6.482 5.109 -1.689 1.00 0.00 C ATOM 292 NE ARG A 22 -6.855 4.708 -3.043 1.00 0.00 N ATOM 293 CZ ARG A 22 -7.434 3.548 -3.333 1.00 0.00 C ATOM 294 NH1 ARG A 22 -7.705 2.679 -2.368 1.00 0.00 N ATOM 295 NH2 ARG A 22 -7.743 3.255 -4.589 1.00 0.00 N ATOM 0 H ARG A 22 -8.384 9.678 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.163 9.067 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.255 7.072 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.422 7.308 -3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.277 6.815 -2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.947 6.859 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.612 4.536 -1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.294 4.868 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.660 5.354 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.469 2.901 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.150 1.789 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.536 3.921 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.187 2.364 -4.810 1.00 0.00 H new ATOM 309 N TYR A 23 -4.911 9.724 -1.500 1.00 0.00 N ATOM 310 CA TYR A 23 -3.614 10.235 -1.926 1.00 0.00 C ATOM 311 C TYR A 23 -2.487 9.604 -1.114 1.00 0.00 C ATOM 312 O TYR A 23 -2.726 8.968 -0.087 1.00 0.00 O ATOM 313 CB TYR A 23 -3.570 11.757 -1.783 1.00 0.00 C ATOM 314 CG TYR A 23 -3.579 12.231 -0.347 1.00 0.00 C ATOM 315 CD1 TYR A 23 -4.769 12.330 0.364 1.00 0.00 C ATOM 316 CD2 TYR A 23 -2.399 12.580 0.298 1.00 0.00 C ATOM 317 CE1 TYR A 23 -4.782 12.764 1.676 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.403 13.013 1.610 1.00 0.00 C ATOM 319 CZ TYR A 23 -3.597 13.103 2.295 1.00 0.00 C ATOM 320 OH TYR A 23 -3.605 13.535 3.601 1.00 0.00 O ATOM 0 H TYR A 23 -5.004 9.597 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.474 9.971 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.674 12.134 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.425 12.187 -2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.699 12.063 -0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.462 12.512 -0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.716 12.837 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.476 13.280 2.097 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.688 13.732 3.886 1.00 0.00 H new ATOM 330 N TYR A 24 -1.257 9.785 -1.582 1.00 0.00 N ATOM 331 CA TYR A 24 -0.091 9.233 -0.902 1.00 0.00 C ATOM 332 C TYR A 24 0.841 10.344 -0.429 1.00 0.00 C ATOM 333 O TYR A 24 0.817 11.457 -0.955 1.00 0.00 O ATOM 334 CB TYR A 24 0.663 8.280 -1.831 1.00 0.00 C ATOM 335 CG TYR A 24 -0.229 7.274 -2.521 1.00 0.00 C ATOM 336 CD1 TYR A 24 -1.357 6.766 -1.887 1.00 0.00 C ATOM 337 CD2 TYR A 24 0.055 6.829 -3.806 1.00 0.00 C ATOM 338 CE1 TYR A 24 -2.175 5.846 -2.513 1.00 0.00 C ATOM 339 CE2 TYR A 24 -0.758 5.910 -4.441 1.00 0.00 C ATOM 340 CZ TYR A 24 -1.872 5.422 -3.790 1.00 0.00 C ATOM 341 OH TYR A 24 -2.684 4.505 -4.418 1.00 0.00 O ATOM 0 H TYR A 24 -1.041 10.310 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.439 8.680 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.190 8.863 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.419 7.747 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.598 7.097 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.927 7.208 -4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.047 5.461 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.523 5.576 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.559 4.486 -3.977 1.00 0.00 H new ATOM 351 N VAL A 25 1.662 10.033 0.569 1.00 0.00 N ATOM 352 CA VAL A 25 2.605 11.004 1.114 1.00 0.00 C ATOM 353 C VAL A 25 3.812 10.309 1.733 1.00 0.00 C ATOM 354 O VAL A 25 3.668 9.363 2.506 1.00 0.00 O ATOM 355 CB VAL A 25 1.938 11.897 2.177 1.00 0.00 C ATOM 356 CG1 VAL A 25 2.972 12.785 2.852 1.00 0.00 C ATOM 357 CG2 VAL A 25 0.832 12.733 1.552 1.00 0.00 C ATOM 0 H VAL A 25 1.694 9.117 1.017 1.00 0.00 H new ATOM 0 HA VAL A 25 2.936 11.627 0.283 1.00 0.00 H new ATOM 0 HB VAL A 25 1.492 11.256 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.483 13.409 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.726 12.163 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.449 13.420 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.372 13.358 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.252 13.366 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.079 12.075 1.119 1.00 0.00 H new ATOM 367 N ASN A 26 5.004 10.786 1.388 1.00 0.00 N ATOM 368 CA ASN A 26 6.238 10.211 1.911 1.00 0.00 C ATOM 369 C ASN A 26 6.553 10.767 3.296 1.00 0.00 C ATOM 370 O ASN A 26 6.309 11.941 3.577 1.00 0.00 O ATOM 371 CB ASN A 26 7.401 10.494 0.958 1.00 0.00 C ATOM 372 CG ASN A 26 8.657 9.734 1.336 1.00 0.00 C ATOM 373 OD1 ASN A 26 9.179 9.886 2.440 1.00 0.00 O ATOM 374 ND2 ASN A 26 9.148 8.909 0.419 1.00 0.00 N ATOM 0 H ASN A 26 5.141 11.569 0.749 1.00 0.00 H new ATOM 0 HA ASN A 26 6.100 9.133 1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.109 10.225 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.613 11.563 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.991 8.370 0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.682 8.814 -0.483 1.00 0.00 H new ATOM 381 N THR A 27 7.099 9.917 4.159 1.00 0.00 N ATOM 382 CA THR A 27 7.449 10.322 5.515 1.00 0.00 C ATOM 383 C THR A 27 8.885 10.826 5.585 1.00 0.00 C ATOM 384 O THR A 27 9.185 11.782 6.303 1.00 0.00 O ATOM 385 CB THR A 27 7.275 9.160 6.511 1.00 0.00 C ATOM 386 OG1 THR A 27 8.098 8.054 6.122 1.00 0.00 O ATOM 387 CG2 THR A 27 5.822 8.717 6.578 1.00 0.00 C ATOM 0 H THR A 27 7.309 8.942 3.943 1.00 0.00 H new ATOM 0 HA THR A 27 6.770 11.130 5.789 1.00 0.00 H new ATOM 0 HB THR A 27 7.578 9.509 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.983 7.320 6.761 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.724 7.896 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.201 9.552 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.497 8.385 5.592 1.00 0.00 H new ATOM 395 N THR A 28 9.772 10.179 4.835 1.00 0.00 N ATOM 396 CA THR A 28 11.178 10.562 4.813 1.00 0.00 C ATOM 397 C THR A 28 11.395 11.810 3.964 1.00 0.00 C ATOM 398 O THR A 28 11.863 12.837 4.458 1.00 0.00 O ATOM 399 CB THR A 28 12.062 9.425 4.268 1.00 0.00 C ATOM 400 OG1 THR A 28 11.840 8.228 5.022 1.00 0.00 O ATOM 401 CG2 THR A 28 13.533 9.805 4.330 1.00 0.00 C ATOM 0 H THR A 28 9.541 9.387 4.235 1.00 0.00 H new ATOM 0 HA THR A 28 11.464 10.772 5.844 1.00 0.00 H new ATOM 0 HB THR A 28 11.792 9.253 3.226 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.404 7.509 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.137 8.986 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.703 10.699 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.814 10.003 5.364 1.00 0.00 H new ATOM 409 N THR A 29 11.051 11.716 2.684 1.00 0.00 N ATOM 410 CA THR A 29 11.209 12.837 1.766 1.00 0.00 C ATOM 411 C THR A 29 10.177 13.924 2.044 1.00 0.00 C ATOM 412 O THR A 29 10.359 15.079 1.659 1.00 0.00 O ATOM 413 CB THR A 29 11.079 12.385 0.299 1.00 0.00 C ATOM 414 OG1 THR A 29 9.698 12.316 -0.072 1.00 0.00 O ATOM 415 CG2 THR A 29 11.734 11.028 0.091 1.00 0.00 C ATOM 0 H THR A 29 10.661 10.875 2.259 1.00 0.00 H new ATOM 0 HA THR A 29 12.209 13.239 1.927 1.00 0.00 H new ATOM 0 HB THR A 29 11.587 13.116 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.624 12.029 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.630 10.730 -0.952 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.792 11.092 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.251 10.289 0.730 1.00 0.00 H new ATOM 423 N ASN A 30 9.094 13.547 2.715 1.00 0.00 N ATOM 424 CA ASN A 30 8.032 14.492 3.044 1.00 0.00 C ATOM 425 C ASN A 30 7.506 15.179 1.788 1.00 0.00 C ATOM 426 O ASN A 30 7.417 16.405 1.731 1.00 0.00 O ATOM 427 CB ASN A 30 8.542 15.539 4.037 1.00 0.00 C ATOM 428 CG ASN A 30 8.653 14.993 5.447 1.00 0.00 C ATOM 429 OD1 ASN A 30 7.650 14.825 6.141 1.00 0.00 O ATOM 430 ND2 ASN A 30 9.877 14.712 5.878 1.00 0.00 N ATOM 0 H ASN A 30 8.928 12.595 3.042 1.00 0.00 H new ATOM 0 HA ASN A 30 7.214 13.936 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.518 15.899 3.712 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.869 16.396 4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.014 14.341 6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.680 14.867 5.269 1.00 0.00 H new ATOM 437 N GLU A 31 7.159 14.380 0.784 1.00 0.00 N ATOM 438 CA GLU A 31 6.642 14.913 -0.471 1.00 0.00 C ATOM 439 C GLU A 31 5.202 14.463 -0.701 1.00 0.00 C ATOM 440 O GLU A 31 4.871 13.289 -0.533 1.00 0.00 O ATOM 441 CB GLU A 31 7.520 14.465 -1.641 1.00 0.00 C ATOM 442 CG GLU A 31 8.652 15.428 -1.956 1.00 0.00 C ATOM 443 CD GLU A 31 9.579 14.905 -3.036 1.00 0.00 C ATOM 444 OE1 GLU A 31 9.074 14.469 -4.092 1.00 0.00 O ATOM 445 OE2 GLU A 31 10.810 14.932 -2.826 1.00 0.00 O ATOM 0 H GLU A 31 7.226 13.363 0.815 1.00 0.00 H new ATOM 0 HA GLU A 31 6.659 16.001 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.940 13.485 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.897 14.347 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.234 16.383 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.227 15.617 -1.049 1.00 0.00 H new ATOM 452 N THR A 32 4.347 15.406 -1.085 1.00 0.00 N ATOM 453 CA THR A 32 2.943 15.109 -1.337 1.00 0.00 C ATOM 454 C THR A 32 2.722 14.676 -2.781 1.00 0.00 C ATOM 455 O THR A 32 3.265 15.274 -3.711 1.00 0.00 O ATOM 456 CB THR A 32 2.049 16.327 -1.036 1.00 0.00 C ATOM 457 OG1 THR A 32 2.418 16.909 0.219 1.00 0.00 O ATOM 458 CG2 THR A 32 0.582 15.926 -1.003 1.00 0.00 C ATOM 0 H THR A 32 4.603 16.383 -1.228 1.00 0.00 H new ATOM 0 HA THR A 32 2.669 14.292 -0.670 1.00 0.00 H new ATOM 0 HB THR A 32 2.192 17.059 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.846 17.683 0.401 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.030 16.802 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.296 15.511 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.427 15.177 -0.227 1.00 0.00 H new ATOM 466 N THR A 33 1.921 13.631 -2.965 1.00 0.00 N ATOM 467 CA THR A 33 1.629 13.116 -4.297 1.00 0.00 C ATOM 468 C THR A 33 0.161 12.729 -4.427 1.00 0.00 C ATOM 469 O THR A 33 -0.597 12.796 -3.458 1.00 0.00 O ATOM 470 CB THR A 33 2.502 11.892 -4.630 1.00 0.00 C ATOM 471 OG1 THR A 33 2.609 11.738 -6.050 1.00 0.00 O ATOM 472 CG2 THR A 33 1.917 10.627 -4.020 1.00 0.00 C ATOM 0 H THR A 33 1.463 13.124 -2.208 1.00 0.00 H new ATOM 0 HA THR A 33 1.855 13.916 -5.002 1.00 0.00 H new ATOM 0 HB THR A 33 3.493 12.055 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.196 10.980 -6.254 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.551 9.776 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.865 10.736 -2.937 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.915 10.461 -4.417 1.00 0.00 H new ATOM 480 N TRP A 34 -0.235 12.324 -5.628 1.00 0.00 N ATOM 481 CA TRP A 34 -1.615 11.925 -5.884 1.00 0.00 C ATOM 482 C TRP A 34 -1.688 10.467 -6.321 1.00 0.00 C ATOM 483 O TRP A 34 -1.328 10.129 -7.448 1.00 0.00 O ATOM 484 CB TRP A 34 -2.237 12.823 -6.954 1.00 0.00 C ATOM 485 CG TRP A 34 -2.695 14.148 -6.425 1.00 0.00 C ATOM 486 CD1 TRP A 34 -2.099 15.361 -6.623 1.00 0.00 C ATOM 487 CD2 TRP A 34 -3.846 14.393 -5.609 1.00 0.00 C ATOM 488 NE1 TRP A 34 -2.810 16.345 -5.980 1.00 0.00 N ATOM 489 CE2 TRP A 34 -3.887 15.777 -5.351 1.00 0.00 C ATOM 490 CE3 TRP A 34 -4.847 13.579 -5.074 1.00 0.00 C ATOM 491 CZ2 TRP A 34 -4.888 16.361 -4.580 1.00 0.00 C ATOM 492 CZ3 TRP A 34 -5.840 14.160 -4.308 1.00 0.00 C ATOM 493 CH2 TRP A 34 -5.855 15.540 -4.068 1.00 0.00 C ATOM 0 H TRP A 34 0.379 12.263 -6.440 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.177 12.035 -4.956 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.508 12.989 -7.747 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.085 12.306 -7.403 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.201 15.523 -7.200 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -2.575 17.337 -5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -4.845 12.514 -5.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.901 17.425 -4.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.617 13.540 -3.887 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.646 15.964 -3.467 1.00 0.00 H new ATOM 504 N GLU A 35 -2.155 9.606 -5.422 1.00 0.00 N ATOM 505 CA GLU A 35 -2.274 8.183 -5.717 1.00 0.00 C ATOM 506 C GLU A 35 -1.083 7.696 -6.537 1.00 0.00 C ATOM 507 O GLU A 35 -1.240 6.915 -7.475 1.00 0.00 O ATOM 508 CB GLU A 35 -3.575 7.903 -6.471 1.00 0.00 C ATOM 509 CG GLU A 35 -3.984 6.439 -6.457 1.00 0.00 C ATOM 510 CD GLU A 35 -4.802 6.074 -5.234 1.00 0.00 C ATOM 511 OE1 GLU A 35 -4.318 6.302 -4.106 1.00 0.00 O ATOM 512 OE2 GLU A 35 -5.927 5.559 -5.406 1.00 0.00 O ATOM 0 H GLU A 35 -2.457 9.869 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.287 7.642 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.375 8.499 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.464 8.231 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.561 6.218 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.091 5.816 -6.491 1.00 0.00 H new ATOM 519 N ARG A 36 0.107 8.165 -6.176 1.00 0.00 N ATOM 520 CA ARG A 36 1.325 7.779 -6.879 1.00 0.00 C ATOM 521 C ARG A 36 2.563 8.171 -6.077 1.00 0.00 C ATOM 522 O ARG A 36 2.944 9.340 -6.008 1.00 0.00 O ATOM 523 CB ARG A 36 1.371 8.434 -8.261 1.00 0.00 C ATOM 524 CG ARG A 36 0.448 7.781 -9.276 1.00 0.00 C ATOM 525 CD ARG A 36 1.017 7.867 -10.683 1.00 0.00 C ATOM 526 NE ARG A 36 -0.034 7.927 -11.696 1.00 0.00 N ATOM 527 CZ ARG A 36 -0.634 9.052 -12.066 1.00 0.00 C ATOM 528 NH1 ARG A 36 -0.289 10.206 -11.511 1.00 0.00 N ATOM 529 NH2 ARG A 36 -1.582 9.026 -12.995 1.00 0.00 N ATOM 0 H ARG A 36 0.254 8.812 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 36 1.318 6.696 -6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.104 9.486 -8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.394 8.398 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.293 6.736 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.528 8.266 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.650 8.751 -10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.652 7.001 -10.871 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.323 7.057 -12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.439 10.231 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.752 11.068 -11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.850 8.141 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.042 9.891 -13.278 1.00 0.00 H new ATOM 543 N PRO A 37 3.206 7.172 -5.456 1.00 0.00 N ATOM 544 CA PRO A 37 4.410 7.387 -4.648 1.00 0.00 C ATOM 545 C PRO A 37 5.618 7.768 -5.497 1.00 0.00 C ATOM 546 O PRO A 37 6.354 6.901 -5.970 1.00 0.00 O ATOM 547 CB PRO A 37 4.635 6.030 -3.977 1.00 0.00 C ATOM 548 CG PRO A 37 3.988 5.045 -4.888 1.00 0.00 C ATOM 549 CD PRO A 37 2.808 5.755 -5.495 1.00 0.00 C ATOM 0 HA PRO A 37 4.286 8.210 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.698 5.819 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.190 6.001 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.682 4.712 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.670 4.157 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.618 5.419 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.896 5.578 -4.925 1.00 0.00 H new ATOM 557 N SER A 38 5.817 9.068 -5.686 1.00 0.00 N ATOM 558 CA SER A 38 6.934 9.563 -6.482 1.00 0.00 C ATOM 559 C SER A 38 8.262 9.300 -5.777 1.00 0.00 C ATOM 560 O SER A 38 8.823 10.188 -5.136 1.00 0.00 O ATOM 561 CB SER A 38 6.774 11.061 -6.749 1.00 0.00 C ATOM 562 OG SER A 38 7.498 11.454 -7.902 1.00 0.00 O ATOM 0 H SER A 38 5.219 9.798 -5.299 1.00 0.00 H new ATOM 0 HA SER A 38 6.935 9.030 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.718 11.299 -6.880 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.124 11.627 -5.886 1.00 0.00 H new ATOM 0 HG SER A 38 7.378 12.415 -8.052 1.00 0.00 H new ATOM 568 N SER A 39 8.757 8.073 -5.900 1.00 0.00 N ATOM 569 CA SER A 39 10.016 7.690 -5.272 1.00 0.00 C ATOM 570 C SER A 39 11.154 8.592 -5.742 1.00 0.00 C ATOM 571 O SER A 39 11.141 9.091 -6.867 1.00 0.00 O ATOM 572 CB SER A 39 10.345 6.230 -5.587 1.00 0.00 C ATOM 573 OG SER A 39 11.153 5.658 -4.573 1.00 0.00 O ATOM 0 H SER A 39 8.305 7.327 -6.429 1.00 0.00 H new ATOM 0 HA SER A 39 9.905 7.805 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.422 5.659 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.861 6.169 -6.545 1.00 0.00 H new ATOM 0 HG SER A 39 11.348 4.724 -4.798 1.00 0.00 H new ATOM 579 N SER A 40 12.136 8.797 -4.871 1.00 0.00 N ATOM 580 CA SER A 40 13.280 9.641 -5.193 1.00 0.00 C ATOM 581 C SER A 40 14.534 9.158 -4.470 1.00 0.00 C ATOM 582 O SER A 40 14.648 9.287 -3.253 1.00 0.00 O ATOM 583 CB SER A 40 12.990 11.096 -4.817 1.00 0.00 C ATOM 584 OG SER A 40 12.142 11.710 -5.772 1.00 0.00 O ATOM 0 H SER A 40 12.162 8.390 -3.936 1.00 0.00 H new ATOM 0 HA SER A 40 13.454 9.578 -6.267 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.523 11.134 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.926 11.650 -4.747 1.00 0.00 H new ATOM 0 HG SER A 40 11.763 11.025 -6.361 1.00 0.00 H new TER 590 SER A 40