USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=17 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 33 THR OG1 : rot -121:sc= 0.974 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 ASN : amide:sc= 0.274 K(o=0.27,f=-10!) USER MOD Set 2.2: A 28 THR OG1 : rot 85:sc=0.000232 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.76) USER MOD Single : A 14 SER OG : rot 40:sc= 0.465 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.241 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -58:sc= 1.22 USER MOD Single : A 30 ASN : amide:sc=-0.00648 K(o=-0.0065,f=-0.56) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.947 6.365 -20.556 1.00 0.00 N ATOM 2 CA GLY A 1 -8.316 6.129 -19.172 1.00 0.00 C ATOM 3 C GLY A 1 -7.309 5.261 -18.444 1.00 0.00 C ATOM 4 O GLY A 1 -7.037 4.134 -18.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.667 6.963 -21.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.025 6.845 -20.592 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.885 5.457 -21.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.408 7.085 -18.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.295 5.652 -19.137 1.00 0.00 H new ATOM 8 N SER A 2 -6.754 5.786 -17.357 1.00 0.00 N ATOM 9 CA SER A 2 -5.767 5.053 -16.572 1.00 0.00 C ATOM 10 C SER A 2 -6.320 4.704 -15.194 1.00 0.00 C ATOM 11 O SER A 2 -6.348 5.544 -14.293 1.00 0.00 O ATOM 12 CB SER A 2 -4.486 5.877 -16.427 1.00 0.00 C ATOM 13 OG SER A 2 -3.731 5.861 -17.626 1.00 0.00 O ATOM 0 H SER A 2 -6.971 6.716 -16.999 1.00 0.00 H new ATOM 0 HA SER A 2 -5.537 4.126 -17.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.739 6.905 -16.166 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.885 5.479 -15.610 1.00 0.00 H new ATOM 0 HG SER A 2 -2.918 6.396 -17.508 1.00 0.00 H new ATOM 19 N SER A 3 -6.759 3.460 -15.037 1.00 0.00 N ATOM 20 CA SER A 3 -7.314 2.999 -13.770 1.00 0.00 C ATOM 21 C SER A 3 -6.980 1.530 -13.532 1.00 0.00 C ATOM 22 O SER A 3 -6.628 0.803 -14.460 1.00 0.00 O ATOM 23 CB SER A 3 -8.831 3.199 -13.751 1.00 0.00 C ATOM 24 OG SER A 3 -9.445 2.543 -14.847 1.00 0.00 O ATOM 0 H SER A 3 -6.741 2.753 -15.772 1.00 0.00 H new ATOM 0 HA SER A 3 -6.867 3.589 -12.970 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.240 2.814 -12.817 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.061 4.264 -13.785 1.00 0.00 H new ATOM 0 HG SER A 3 -10.414 2.684 -14.812 1.00 0.00 H new ATOM 30 N GLY A 4 -7.094 1.098 -12.279 1.00 0.00 N ATOM 31 CA GLY A 4 -6.801 -0.282 -11.941 1.00 0.00 C ATOM 32 C GLY A 4 -6.035 -0.410 -10.639 1.00 0.00 C ATOM 33 O GLY A 4 -5.945 0.545 -9.867 1.00 0.00 O ATOM 0 H GLY A 4 -7.384 1.680 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.734 -0.841 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.222 -0.735 -12.746 1.00 0.00 H new ATOM 37 N SER A 5 -5.482 -1.593 -10.393 1.00 0.00 N ATOM 38 CA SER A 5 -4.724 -1.844 -9.172 1.00 0.00 C ATOM 39 C SER A 5 -3.391 -1.102 -9.198 1.00 0.00 C ATOM 40 O SER A 5 -3.024 -0.497 -10.206 1.00 0.00 O ATOM 41 CB SER A 5 -4.482 -3.344 -8.996 1.00 0.00 C ATOM 42 OG SER A 5 -5.656 -4.001 -8.551 1.00 0.00 O ATOM 0 H SER A 5 -5.544 -2.393 -11.023 1.00 0.00 H new ATOM 0 HA SER A 5 -5.309 -1.476 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.156 -3.776 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.678 -3.504 -8.278 1.00 0.00 H new ATOM 0 HG SER A 5 -5.476 -4.959 -8.448 1.00 0.00 H new ATOM 48 N SER A 6 -2.670 -1.153 -8.083 1.00 0.00 N ATOM 49 CA SER A 6 -1.380 -0.484 -7.975 1.00 0.00 C ATOM 50 C SER A 6 -0.603 -0.993 -6.764 1.00 0.00 C ATOM 51 O SER A 6 -1.075 -0.912 -5.631 1.00 0.00 O ATOM 52 CB SER A 6 -1.574 1.030 -7.870 1.00 0.00 C ATOM 53 OG SER A 6 -0.465 1.725 -8.413 1.00 0.00 O ATOM 0 H SER A 6 -2.958 -1.651 -7.241 1.00 0.00 H new ATOM 0 HA SER A 6 -0.806 -0.709 -8.874 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.483 1.321 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.707 1.311 -6.825 1.00 0.00 H new ATOM 0 HG SER A 6 -0.614 2.690 -8.335 1.00 0.00 H new ATOM 59 N GLY A 7 0.593 -1.518 -7.014 1.00 0.00 N ATOM 60 CA GLY A 7 1.417 -2.033 -5.936 1.00 0.00 C ATOM 61 C GLY A 7 2.527 -1.077 -5.548 1.00 0.00 C ATOM 62 O GLY A 7 3.629 -1.138 -6.095 1.00 0.00 O ATOM 0 H GLY A 7 1.006 -1.596 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.790 -2.230 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.851 -2.986 -6.238 1.00 0.00 H new ATOM 66 N LEU A 8 2.238 -0.190 -4.602 1.00 0.00 N ATOM 67 CA LEU A 8 3.221 0.785 -4.142 1.00 0.00 C ATOM 68 C LEU A 8 4.401 0.092 -3.468 1.00 0.00 C ATOM 69 O LEU A 8 4.275 -0.994 -2.903 1.00 0.00 O ATOM 70 CB LEU A 8 2.572 1.772 -3.170 1.00 0.00 C ATOM 71 CG LEU A 8 1.149 2.214 -3.512 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.639 3.215 -2.487 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.097 2.809 -4.912 1.00 0.00 C ATOM 0 H LEU A 8 1.332 -0.126 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 8 3.591 1.329 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.562 1.321 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.202 2.659 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 8 0.502 1.337 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.375 3.518 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.638 2.755 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.288 4.091 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.077 3.118 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.758 3.674 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.419 2.062 -5.637 1.00 0.00 H new ATOM 85 N PRO A 9 5.577 0.735 -3.527 1.00 0.00 N ATOM 86 CA PRO A 9 6.802 0.200 -2.925 1.00 0.00 C ATOM 87 C PRO A 9 6.756 0.220 -1.401 1.00 0.00 C ATOM 88 O PRO A 9 6.022 0.995 -0.788 1.00 0.00 O ATOM 89 CB PRO A 9 7.891 1.145 -3.439 1.00 0.00 C ATOM 90 CG PRO A 9 7.180 2.422 -3.728 1.00 0.00 C ATOM 91 CD PRO A 9 5.800 2.033 -4.184 1.00 0.00 C ATOM 0 HA PRO A 9 6.964 -0.845 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.674 1.288 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.370 0.747 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.134 3.053 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.699 2.992 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.055 2.769 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.744 1.949 -5.269 1.00 0.00 H new ATOM 99 N PRO A 10 7.558 -0.652 -0.773 1.00 0.00 N ATOM 100 CA PRO A 10 7.628 -0.754 0.688 1.00 0.00 C ATOM 101 C PRO A 10 8.291 0.464 1.323 1.00 0.00 C ATOM 102 O PRO A 10 9.514 0.526 1.440 1.00 0.00 O ATOM 103 CB PRO A 10 8.478 -2.006 0.917 1.00 0.00 C ATOM 104 CG PRO A 10 9.308 -2.130 -0.314 1.00 0.00 C ATOM 105 CD PRO A 10 8.460 -1.606 -1.440 1.00 0.00 C ATOM 0 HA PRO A 10 6.638 -0.807 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.101 -1.905 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.854 -2.887 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.231 -1.558 -0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.593 -3.167 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.065 -1.119 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.906 -2.406 -1.932 1.00 0.00 H new ATOM 113 N GLY A 11 7.475 1.431 1.731 1.00 0.00 N ATOM 114 CA GLY A 11 8.001 2.634 2.350 1.00 0.00 C ATOM 115 C GLY A 11 7.060 3.814 2.216 1.00 0.00 C ATOM 116 O GLY A 11 7.107 4.748 3.017 1.00 0.00 O ATOM 0 H GLY A 11 6.459 1.403 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.190 2.442 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.959 2.884 1.895 1.00 0.00 H new ATOM 120 N TRP A 12 6.205 3.774 1.200 1.00 0.00 N ATOM 121 CA TRP A 12 5.249 4.850 0.963 1.00 0.00 C ATOM 122 C TRP A 12 3.947 4.598 1.716 1.00 0.00 C ATOM 123 O TRP A 12 3.485 3.461 1.808 1.00 0.00 O ATOM 124 CB TRP A 12 4.969 4.991 -0.534 1.00 0.00 C ATOM 125 CG TRP A 12 5.999 5.804 -1.257 1.00 0.00 C ATOM 126 CD1 TRP A 12 7.242 5.393 -1.647 1.00 0.00 C ATOM 127 CD2 TRP A 12 5.875 7.168 -1.675 1.00 0.00 C ATOM 128 NE1 TRP A 12 7.898 6.420 -2.283 1.00 0.00 N ATOM 129 CE2 TRP A 12 7.081 7.519 -2.314 1.00 0.00 C ATOM 130 CE3 TRP A 12 4.863 8.126 -1.575 1.00 0.00 C ATOM 131 CZ2 TRP A 12 7.299 8.787 -2.846 1.00 0.00 C ATOM 132 CZ3 TRP A 12 5.081 9.384 -2.104 1.00 0.00 C ATOM 133 CH2 TRP A 12 6.291 9.705 -2.733 1.00 0.00 C ATOM 0 H TRP A 12 6.154 3.009 0.528 1.00 0.00 H new ATOM 0 HA TRP A 12 5.686 5.778 1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 12 4.920 3.999 -0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.991 5.452 -0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.649 4.407 -1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.841 6.372 -2.669 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.927 7.888 -1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.231 9.037 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.306 10.132 -2.031 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.431 10.697 -3.137 1.00 0.00 H new ATOM 144 N GLN A 13 3.361 5.664 2.250 1.00 0.00 N ATOM 145 CA GLN A 13 2.112 5.556 2.995 1.00 0.00 C ATOM 146 C GLN A 13 0.934 6.034 2.153 1.00 0.00 C ATOM 147 O GLN A 13 1.097 6.850 1.246 1.00 0.00 O ATOM 148 CB GLN A 13 2.193 6.368 4.289 1.00 0.00 C ATOM 149 CG GLN A 13 2.920 5.649 5.414 1.00 0.00 C ATOM 150 CD GLN A 13 4.343 5.280 5.048 1.00 0.00 C ATOM 151 OE1 GLN A 13 5.186 6.151 4.827 1.00 0.00 O ATOM 152 NE2 GLN A 13 4.621 3.983 4.981 1.00 0.00 N ATOM 0 H GLN A 13 3.731 6.612 2.181 1.00 0.00 H new ATOM 0 HA GLN A 13 1.956 4.506 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.699 7.311 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.183 6.613 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.930 6.285 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.371 4.745 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.893 3.295 5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.563 3.675 4.739 1.00 0.00 H new ATOM 161 N SER A 14 -0.253 5.520 2.460 1.00 0.00 N ATOM 162 CA SER A 14 -1.459 5.892 1.729 1.00 0.00 C ATOM 163 C SER A 14 -2.507 6.475 2.671 1.00 0.00 C ATOM 164 O SER A 14 -3.021 5.784 3.551 1.00 0.00 O ATOM 165 CB SER A 14 -2.033 4.676 0.999 1.00 0.00 C ATOM 166 OG SER A 14 -2.302 3.619 1.903 1.00 0.00 O ATOM 0 H SER A 14 -0.405 4.845 3.210 1.00 0.00 H new ATOM 0 HA SER A 14 -1.190 6.653 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.950 4.958 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.329 4.338 0.239 1.00 0.00 H new ATOM 0 HG SER A 14 -2.673 3.985 2.733 1.00 0.00 H new ATOM 172 N TYR A 15 -2.820 7.752 2.480 1.00 0.00 N ATOM 173 CA TYR A 15 -3.805 8.431 3.314 1.00 0.00 C ATOM 174 C TYR A 15 -5.039 8.810 2.500 1.00 0.00 C ATOM 175 O TYR A 15 -5.092 8.585 1.290 1.00 0.00 O ATOM 176 CB TYR A 15 -3.193 9.682 3.947 1.00 0.00 C ATOM 177 CG TYR A 15 -1.975 9.398 4.795 1.00 0.00 C ATOM 178 CD1 TYR A 15 -2.083 8.697 5.990 1.00 0.00 C ATOM 179 CD2 TYR A 15 -0.714 9.829 4.401 1.00 0.00 C ATOM 180 CE1 TYR A 15 -0.973 8.436 6.768 1.00 0.00 C ATOM 181 CE2 TYR A 15 0.403 9.571 5.172 1.00 0.00 C ATOM 182 CZ TYR A 15 0.268 8.875 6.355 1.00 0.00 C ATOM 183 OH TYR A 15 1.377 8.615 7.127 1.00 0.00 O ATOM 0 H TYR A 15 -2.406 8.338 1.755 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.110 7.745 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.920 10.382 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.947 10.173 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.053 8.350 6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.605 10.375 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.075 7.891 7.695 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.376 9.912 4.850 1.00 0.00 H new ATOM 0 HH TYR A 15 2.172 8.991 6.695 1.00 0.00 H new ATOM 193 N LEU A 16 -6.028 9.386 3.173 1.00 0.00 N ATOM 194 CA LEU A 16 -7.263 9.798 2.514 1.00 0.00 C ATOM 195 C LEU A 16 -7.510 11.291 2.704 1.00 0.00 C ATOM 196 O LEU A 16 -7.347 11.823 3.802 1.00 0.00 O ATOM 197 CB LEU A 16 -8.448 9.000 3.062 1.00 0.00 C ATOM 198 CG LEU A 16 -8.593 7.570 2.541 1.00 0.00 C ATOM 199 CD1 LEU A 16 -9.705 6.843 3.281 1.00 0.00 C ATOM 200 CD2 LEU A 16 -8.859 7.573 1.043 1.00 0.00 C ATOM 0 H LEU A 16 -6.000 9.579 4.174 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.160 9.598 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.364 8.963 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.364 9.544 2.832 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.658 7.040 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.794 5.827 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.472 6.810 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.647 7.371 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.959 6.547 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.780 8.119 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.029 8.055 0.527 1.00 0.00 H new ATOM 212 N SER A 17 -7.905 11.962 1.626 1.00 0.00 N ATOM 213 CA SER A 17 -8.173 13.395 1.674 1.00 0.00 C ATOM 214 C SER A 17 -9.377 13.693 2.561 1.00 0.00 C ATOM 215 O SER A 17 -10.219 12.833 2.819 1.00 0.00 O ATOM 216 CB SER A 17 -8.417 13.936 0.264 1.00 0.00 C ATOM 217 OG SER A 17 -9.794 13.890 -0.068 1.00 0.00 O ATOM 0 H SER A 17 -8.046 11.537 0.710 1.00 0.00 H new ATOM 0 HA SER A 17 -7.300 13.889 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.058 14.963 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.846 13.351 -0.457 1.00 0.00 H new ATOM 0 HG SER A 17 -9.924 14.243 -0.973 1.00 0.00 H new ATOM 223 N PRO A 18 -9.462 14.943 3.041 1.00 0.00 N ATOM 224 CA PRO A 18 -10.559 15.386 3.907 1.00 0.00 C ATOM 225 C PRO A 18 -11.886 15.477 3.161 1.00 0.00 C ATOM 226 O PRO A 18 -12.871 15.992 3.690 1.00 0.00 O ATOM 227 CB PRO A 18 -10.108 16.774 4.369 1.00 0.00 C ATOM 228 CG PRO A 18 -9.186 17.248 3.299 1.00 0.00 C ATOM 229 CD PRO A 18 -8.494 16.020 2.775 1.00 0.00 C ATOM 0 HA PRO A 18 -10.740 14.688 4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.957 17.447 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.603 16.726 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.736 17.754 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.465 17.964 3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.272 16.107 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.547 15.844 3.285 1.00 0.00 H new ATOM 237 N GLN A 19 -11.903 14.974 1.931 1.00 0.00 N ATOM 238 CA GLN A 19 -13.110 15.000 1.113 1.00 0.00 C ATOM 239 C GLN A 19 -13.554 13.587 0.752 1.00 0.00 C ATOM 240 O GLN A 19 -14.705 13.362 0.380 1.00 0.00 O ATOM 241 CB GLN A 19 -12.871 15.813 -0.161 1.00 0.00 C ATOM 242 CG GLN A 19 -12.803 17.313 0.078 1.00 0.00 C ATOM 243 CD GLN A 19 -12.449 18.088 -1.175 1.00 0.00 C ATOM 244 OE1 GLN A 19 -12.897 17.755 -2.273 1.00 0.00 O ATOM 245 NE2 GLN A 19 -11.641 19.130 -1.019 1.00 0.00 N ATOM 0 H GLN A 19 -11.096 14.544 1.479 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.902 15.473 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.940 15.484 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.670 15.603 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.764 17.661 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.063 17.521 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.293 19.371 -0.091 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.369 19.690 -1.827 1.00 0.00 H new ATOM 254 N GLY A 20 -12.632 12.635 0.865 1.00 0.00 N ATOM 255 CA GLY A 20 -12.947 11.255 0.546 1.00 0.00 C ATOM 256 C GLY A 20 -11.963 10.646 -0.432 1.00 0.00 C ATOM 257 O GLY A 20 -11.813 9.426 -0.494 1.00 0.00 O ATOM 0 H GLY A 20 -11.673 12.795 1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.954 10.666 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.951 11.203 0.126 1.00 0.00 H new ATOM 261 N ARG A 21 -11.290 11.497 -1.199 1.00 0.00 N ATOM 262 CA ARG A 21 -10.317 11.036 -2.182 1.00 0.00 C ATOM 263 C ARG A 21 -9.150 10.326 -1.500 1.00 0.00 C ATOM 264 O ARG A 21 -8.957 10.451 -0.290 1.00 0.00 O ATOM 265 CB ARG A 21 -9.798 12.213 -3.009 1.00 0.00 C ATOM 266 CG ARG A 21 -9.410 11.835 -4.429 1.00 0.00 C ATOM 267 CD ARG A 21 -10.631 11.497 -5.270 1.00 0.00 C ATOM 268 NE ARG A 21 -11.274 12.694 -5.806 1.00 0.00 N ATOM 269 CZ ARG A 21 -12.061 12.688 -6.877 1.00 0.00 C ATOM 270 NH1 ARG A 21 -12.301 11.555 -7.521 1.00 0.00 N ATOM 271 NH2 ARG A 21 -12.609 13.818 -7.304 1.00 0.00 N ATOM 0 H ARG A 21 -11.401 12.510 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.815 10.328 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.565 12.987 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.932 12.645 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.866 12.659 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.734 10.980 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.336 10.845 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.347 10.942 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.110 13.583 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.881 10.684 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.905 11.554 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.426 14.692 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.213 13.813 -8.126 1.00 0.00 H new ATOM 285 N ARG A 22 -8.377 9.583 -2.283 1.00 0.00 N ATOM 286 CA ARG A 22 -7.231 8.852 -1.755 1.00 0.00 C ATOM 287 C ARG A 22 -5.927 9.396 -2.331 1.00 0.00 C ATOM 288 O ARG A 22 -5.794 9.563 -3.544 1.00 0.00 O ATOM 289 CB ARG A 22 -7.359 7.362 -2.073 1.00 0.00 C ATOM 290 CG ARG A 22 -6.292 6.504 -1.411 1.00 0.00 C ATOM 291 CD ARG A 22 -6.257 5.104 -2.002 1.00 0.00 C ATOM 292 NE ARG A 22 -5.402 4.205 -1.232 1.00 0.00 N ATOM 293 CZ ARG A 22 -5.811 3.546 -0.153 1.00 0.00 C ATOM 294 NH1 ARG A 22 -7.057 3.684 0.279 1.00 0.00 N ATOM 295 NH2 ARG A 22 -4.973 2.747 0.495 1.00 0.00 N ATOM 0 H ARG A 22 -8.523 9.471 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.214 8.985 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.342 7.014 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.306 7.224 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.317 6.976 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.485 6.443 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.269 4.700 -2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.898 5.154 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.438 4.076 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.704 4.297 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.369 3.177 1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.014 2.638 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.288 2.242 1.323 1.00 0.00 H new ATOM 309 N TYR A 23 -4.968 9.671 -1.454 1.00 0.00 N ATOM 310 CA TYR A 23 -3.675 10.199 -1.874 1.00 0.00 C ATOM 311 C TYR A 23 -2.544 9.586 -1.055 1.00 0.00 C ATOM 312 O TYR A 23 -2.756 9.116 0.063 1.00 0.00 O ATOM 313 CB TYR A 23 -3.653 11.722 -1.735 1.00 0.00 C ATOM 314 CG TYR A 23 -3.628 12.199 -0.301 1.00 0.00 C ATOM 315 CD1 TYR A 23 -4.793 12.255 0.454 1.00 0.00 C ATOM 316 CD2 TYR A 23 -2.439 12.595 0.299 1.00 0.00 C ATOM 317 CE1 TYR A 23 -4.775 12.691 1.765 1.00 0.00 C ATOM 318 CE2 TYR A 23 -2.411 13.030 1.610 1.00 0.00 C ATOM 319 CZ TYR A 23 -3.581 13.077 2.339 1.00 0.00 C ATOM 320 OH TYR A 23 -3.558 13.511 3.644 1.00 0.00 O ATOM 0 H TYR A 23 -5.062 9.537 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.526 9.934 -2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.778 12.113 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.530 12.136 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.729 11.952 0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.521 12.562 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.690 12.729 2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.478 13.332 2.062 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.640 13.744 3.895 1.00 0.00 H new ATOM 330 N TYR A 24 -1.342 9.596 -1.620 1.00 0.00 N ATOM 331 CA TYR A 24 -0.175 9.039 -0.944 1.00 0.00 C ATOM 332 C TYR A 24 0.745 10.148 -0.444 1.00 0.00 C ATOM 333 O TYR A 24 0.702 11.276 -0.937 1.00 0.00 O ATOM 334 CB TYR A 24 0.592 8.110 -1.887 1.00 0.00 C ATOM 335 CG TYR A 24 -0.290 7.112 -2.602 1.00 0.00 C ATOM 336 CD1 TYR A 24 -1.430 6.601 -1.994 1.00 0.00 C ATOM 337 CD2 TYR A 24 0.017 6.679 -3.886 1.00 0.00 C ATOM 338 CE1 TYR A 24 -2.238 5.688 -2.644 1.00 0.00 C ATOM 339 CE2 TYR A 24 -0.786 5.768 -4.544 1.00 0.00 C ATOM 340 CZ TYR A 24 -1.912 5.275 -3.919 1.00 0.00 C ATOM 341 OH TYR A 24 -2.714 4.366 -4.570 1.00 0.00 O ATOM 0 H TYR A 24 -1.150 9.983 -2.544 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.523 8.466 -0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.120 8.712 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.348 7.571 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.689 6.923 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.899 7.061 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.120 5.300 -2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.533 5.444 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.345 4.182 -5.459 1.00 0.00 H new ATOM 351 N VAL A 25 1.579 9.819 0.537 1.00 0.00 N ATOM 352 CA VAL A 25 2.513 10.785 1.104 1.00 0.00 C ATOM 353 C VAL A 25 3.739 10.090 1.683 1.00 0.00 C ATOM 354 O VAL A 25 3.619 9.161 2.481 1.00 0.00 O ATOM 355 CB VAL A 25 1.846 11.630 2.206 1.00 0.00 C ATOM 356 CG1 VAL A 25 2.879 12.492 2.916 1.00 0.00 C ATOM 357 CG2 VAL A 25 0.735 12.488 1.620 1.00 0.00 C ATOM 0 H VAL A 25 1.627 8.890 0.956 1.00 0.00 H new ATOM 0 HA VAL A 25 2.822 11.441 0.291 1.00 0.00 H new ATOM 0 HB VAL A 25 1.404 10.956 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.390 13.082 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.636 11.853 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.352 13.160 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.275 13.078 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.150 13.155 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.017 11.846 1.162 1.00 0.00 H new ATOM 367 N ASN A 26 4.919 10.547 1.277 1.00 0.00 N ATOM 368 CA ASN A 26 6.169 9.968 1.756 1.00 0.00 C ATOM 369 C ASN A 26 6.645 10.674 3.022 1.00 0.00 C ATOM 370 O ASN A 26 6.510 11.891 3.156 1.00 0.00 O ATOM 371 CB ASN A 26 7.246 10.059 0.673 1.00 0.00 C ATOM 372 CG ASN A 26 8.382 9.082 0.904 1.00 0.00 C ATOM 373 OD1 ASN A 26 8.595 8.614 2.023 1.00 0.00 O ATOM 374 ND2 ASN A 26 9.119 8.769 -0.156 1.00 0.00 N ATOM 0 H ASN A 26 5.036 11.316 0.618 1.00 0.00 H new ATOM 0 HA ASN A 26 5.988 8.919 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.796 9.865 -0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.643 11.074 0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.897 8.117 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.906 9.181 -1.065 1.00 0.00 H new ATOM 381 N THR A 27 7.204 9.902 3.949 1.00 0.00 N ATOM 382 CA THR A 27 7.700 10.453 5.204 1.00 0.00 C ATOM 383 C THR A 27 9.189 10.768 5.116 1.00 0.00 C ATOM 384 O THR A 27 9.703 11.604 5.860 1.00 0.00 O ATOM 385 CB THR A 27 7.460 9.483 6.376 1.00 0.00 C ATOM 386 OG1 THR A 27 8.141 8.246 6.136 1.00 0.00 O ATOM 387 CG2 THR A 27 5.974 9.220 6.567 1.00 0.00 C ATOM 0 H THR A 27 7.324 8.894 3.854 1.00 0.00 H new ATOM 0 HA THR A 27 7.147 11.375 5.385 1.00 0.00 H new ATOM 0 HB THR A 27 7.851 9.943 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.985 7.636 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.830 8.532 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.463 10.159 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.563 8.780 5.659 1.00 0.00 H new ATOM 395 N THR A 28 9.879 10.093 4.202 1.00 0.00 N ATOM 396 CA THR A 28 11.310 10.300 4.017 1.00 0.00 C ATOM 397 C THR A 28 11.622 11.768 3.746 1.00 0.00 C ATOM 398 O THR A 28 12.499 12.355 4.380 1.00 0.00 O ATOM 399 CB THR A 28 11.855 9.448 2.856 1.00 0.00 C ATOM 400 OG1 THR A 28 11.610 8.060 3.109 1.00 0.00 O ATOM 401 CG2 THR A 28 13.348 9.679 2.670 1.00 0.00 C ATOM 0 H THR A 28 9.470 9.398 3.578 1.00 0.00 H new ATOM 0 HA THR A 28 11.797 9.993 4.943 1.00 0.00 H new ATOM 0 HB THR A 28 11.340 9.746 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.706 7.828 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.711 9.067 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.529 10.731 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.875 9.405 3.584 1.00 0.00 H new ATOM 409 N THR A 29 10.898 12.357 2.799 1.00 0.00 N ATOM 410 CA THR A 29 11.098 13.756 2.444 1.00 0.00 C ATOM 411 C THR A 29 9.794 14.541 2.543 1.00 0.00 C ATOM 412 O THR A 29 9.647 15.598 1.932 1.00 0.00 O ATOM 413 CB THR A 29 11.662 13.898 1.018 1.00 0.00 C ATOM 414 OG1 THR A 29 11.708 15.280 0.645 1.00 0.00 O ATOM 415 CG2 THR A 29 10.811 13.127 0.020 1.00 0.00 C ATOM 0 H THR A 29 10.168 11.886 2.264 1.00 0.00 H new ATOM 0 HA THR A 29 11.818 14.162 3.154 1.00 0.00 H new ATOM 0 HB THR A 29 12.671 13.485 1.007 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.808 15.665 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.229 13.242 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.801 12.071 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.792 13.515 0.034 1.00 0.00 H new ATOM 423 N ASN A 30 8.851 14.016 3.319 1.00 0.00 N ATOM 424 CA ASN A 30 7.559 14.668 3.498 1.00 0.00 C ATOM 425 C ASN A 30 7.029 15.200 2.170 1.00 0.00 C ATOM 426 O ASN A 30 6.540 16.326 2.093 1.00 0.00 O ATOM 427 CB ASN A 30 7.678 15.811 4.508 1.00 0.00 C ATOM 428 CG ASN A 30 8.377 15.386 5.784 1.00 0.00 C ATOM 429 OD1 ASN A 30 8.345 14.214 6.162 1.00 0.00 O ATOM 430 ND2 ASN A 30 9.014 16.338 6.456 1.00 0.00 N ATOM 0 H ASN A 30 8.957 13.142 3.833 1.00 0.00 H new ATOM 0 HA ASN A 30 6.855 13.927 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.226 16.637 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.683 16.184 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.503 16.111 7.322 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.015 17.296 6.106 1.00 0.00 H new ATOM 437 N GLU A 31 7.130 14.381 1.128 1.00 0.00 N ATOM 438 CA GLU A 31 6.661 14.770 -0.196 1.00 0.00 C ATOM 439 C GLU A 31 5.218 14.322 -0.416 1.00 0.00 C ATOM 440 O GLU A 31 4.858 13.182 -0.122 1.00 0.00 O ATOM 441 CB GLU A 31 7.562 14.171 -1.278 1.00 0.00 C ATOM 442 CG GLU A 31 8.703 15.084 -1.694 1.00 0.00 C ATOM 443 CD GLU A 31 9.726 14.380 -2.565 1.00 0.00 C ATOM 444 OE1 GLU A 31 9.371 13.359 -3.189 1.00 0.00 O ATOM 445 OE2 GLU A 31 10.881 14.851 -2.621 1.00 0.00 O ATOM 0 H GLU A 31 7.532 13.445 1.175 1.00 0.00 H new ATOM 0 HA GLU A 31 6.700 15.857 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.975 13.230 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.957 13.937 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.300 15.941 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.196 15.472 -0.803 1.00 0.00 H new ATOM 452 N THR A 32 4.396 15.229 -0.934 1.00 0.00 N ATOM 453 CA THR A 32 2.993 14.930 -1.192 1.00 0.00 C ATOM 454 C THR A 32 2.776 14.520 -2.644 1.00 0.00 C ATOM 455 O THR A 32 3.324 15.132 -3.562 1.00 0.00 O ATOM 456 CB THR A 32 2.093 16.137 -0.870 1.00 0.00 C ATOM 457 OG1 THR A 32 2.448 16.688 0.403 1.00 0.00 O ATOM 458 CG2 THR A 32 0.626 15.732 -0.862 1.00 0.00 C ATOM 0 H THR A 32 4.678 16.177 -1.183 1.00 0.00 H new ATOM 0 HA THR A 32 2.721 14.100 -0.539 1.00 0.00 H new ATOM 0 HB THR A 32 2.242 16.889 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.872 17.456 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.010 16.601 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.351 15.341 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.465 14.963 -0.106 1.00 0.00 H new ATOM 466 N THR A 33 1.971 13.482 -2.848 1.00 0.00 N ATOM 467 CA THR A 33 1.681 12.991 -4.189 1.00 0.00 C ATOM 468 C THR A 33 0.210 12.620 -4.333 1.00 0.00 C ATOM 469 O THR A 33 -0.552 12.681 -3.368 1.00 0.00 O ATOM 470 CB THR A 33 2.545 11.763 -4.536 1.00 0.00 C ATOM 471 OG1 THR A 33 2.736 11.684 -5.953 1.00 0.00 O ATOM 472 CG2 THR A 33 1.892 10.484 -4.035 1.00 0.00 C ATOM 0 H THR A 33 1.508 12.965 -2.101 1.00 0.00 H new ATOM 0 HA THR A 33 1.918 13.800 -4.880 1.00 0.00 H new ATOM 0 HB THR A 33 3.512 11.875 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.391 10.828 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.520 9.630 -4.291 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.774 10.536 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.914 10.368 -4.502 1.00 0.00 H new ATOM 480 N TRP A 34 -0.183 12.236 -5.542 1.00 0.00 N ATOM 481 CA TRP A 34 -1.565 11.854 -5.811 1.00 0.00 C ATOM 482 C TRP A 34 -1.646 10.411 -6.295 1.00 0.00 C ATOM 483 O TRP A 34 -1.290 10.108 -7.434 1.00 0.00 O ATOM 484 CB TRP A 34 -2.180 12.790 -6.853 1.00 0.00 C ATOM 485 CG TRP A 34 -2.585 14.120 -6.292 1.00 0.00 C ATOM 486 CD1 TRP A 34 -1.964 15.319 -6.496 1.00 0.00 C ATOM 487 CD2 TRP A 34 -3.699 14.384 -5.433 1.00 0.00 C ATOM 488 NE1 TRP A 34 -2.626 16.312 -5.815 1.00 0.00 N ATOM 489 CE2 TRP A 34 -3.694 15.765 -5.156 1.00 0.00 C ATOM 490 CE3 TRP A 34 -4.703 13.588 -4.872 1.00 0.00 C ATOM 491 CZ2 TRP A 34 -4.652 16.364 -4.343 1.00 0.00 C ATOM 492 CZ3 TRP A 34 -5.653 14.185 -4.065 1.00 0.00 C ATOM 493 CH2 TRP A 34 -5.623 15.562 -3.807 1.00 0.00 C ATOM 0 H TRP A 34 0.435 12.181 -6.351 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.127 11.937 -4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.463 12.947 -7.658 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.053 12.308 -7.293 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -1.083 15.465 -7.103 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -2.364 17.298 -5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -4.735 12.526 -5.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.630 17.425 -4.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.432 13.580 -3.626 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.381 15.999 -3.173 1.00 0.00 H new ATOM 504 N GLU A 35 -2.118 9.525 -5.424 1.00 0.00 N ATOM 505 CA GLU A 35 -2.245 8.112 -5.765 1.00 0.00 C ATOM 506 C GLU A 35 -1.055 7.644 -6.597 1.00 0.00 C ATOM 507 O GLU A 35 -1.215 6.899 -7.564 1.00 0.00 O ATOM 508 CB GLU A 35 -3.546 7.865 -6.531 1.00 0.00 C ATOM 509 CG GLU A 35 -4.722 7.511 -5.635 1.00 0.00 C ATOM 510 CD GLU A 35 -5.740 6.628 -6.331 1.00 0.00 C ATOM 511 OE1 GLU A 35 -6.322 7.075 -7.341 1.00 0.00 O ATOM 512 OE2 GLU A 35 -5.954 5.490 -5.863 1.00 0.00 O ATOM 0 H GLU A 35 -2.419 9.760 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.264 7.541 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.794 8.757 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.389 7.058 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.355 7.003 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.209 8.427 -5.302 1.00 0.00 H new ATOM 519 N ARG A 36 0.138 8.088 -6.215 1.00 0.00 N ATOM 520 CA ARG A 36 1.355 7.717 -6.927 1.00 0.00 C ATOM 521 C ARG A 36 2.594 8.105 -6.125 1.00 0.00 C ATOM 522 O ARG A 36 2.969 9.274 -6.043 1.00 0.00 O ATOM 523 CB ARG A 36 1.393 8.388 -8.301 1.00 0.00 C ATOM 524 CG ARG A 36 0.490 7.726 -9.328 1.00 0.00 C ATOM 525 CD ARG A 36 1.068 7.834 -10.730 1.00 0.00 C ATOM 526 NE ARG A 36 0.024 7.882 -11.750 1.00 0.00 N ATOM 527 CZ ARG A 36 0.213 8.367 -12.973 1.00 0.00 C ATOM 528 NH1 ARG A 36 1.399 8.842 -13.325 1.00 0.00 N ATOM 529 NH2 ARG A 36 -0.787 8.377 -13.845 1.00 0.00 N ATOM 0 H ARG A 36 0.288 8.705 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 36 1.353 6.635 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.102 9.433 -8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.418 8.379 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.352 6.676 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.495 8.192 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.685 8.730 -10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.721 6.982 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.901 7.524 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.170 8.836 -12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.541 9.214 -14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.701 8.012 -13.577 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.642 8.749 -14.783 1.00 0.00 H new ATOM 543 N PRO A 37 3.244 7.101 -5.517 1.00 0.00 N ATOM 544 CA PRO A 37 4.450 7.313 -4.710 1.00 0.00 C ATOM 545 C PRO A 37 5.653 7.709 -5.559 1.00 0.00 C ATOM 546 O PRO A 37 6.387 6.852 -6.051 1.00 0.00 O ATOM 547 CB PRO A 37 4.683 5.949 -4.056 1.00 0.00 C ATOM 548 CG PRO A 37 4.037 4.972 -4.977 1.00 0.00 C ATOM 549 CD PRO A 37 2.853 5.683 -5.571 1.00 0.00 C ATOM 0 HA PRO A 37 4.325 8.128 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.747 5.741 -3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.241 5.907 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.730 4.652 -5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.725 4.076 -4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.661 5.358 -6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.944 5.495 -5.000 1.00 0.00 H new ATOM 557 N SER A 38 5.849 9.013 -5.728 1.00 0.00 N ATOM 558 CA SER A 38 6.962 9.522 -6.520 1.00 0.00 C ATOM 559 C SER A 38 8.225 8.703 -6.273 1.00 0.00 C ATOM 560 O SER A 38 8.338 8.004 -5.266 1.00 0.00 O ATOM 561 CB SER A 38 7.221 10.993 -6.188 1.00 0.00 C ATOM 562 OG SER A 38 6.084 11.788 -6.472 1.00 0.00 O ATOM 0 H SER A 38 5.251 9.736 -5.327 1.00 0.00 H new ATOM 0 HA SER A 38 6.695 9.436 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.483 11.091 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.074 11.354 -6.763 1.00 0.00 H new ATOM 0 HG SER A 38 6.275 12.723 -6.250 1.00 0.00 H new ATOM 568 N SER A 39 9.173 8.794 -7.200 1.00 0.00 N ATOM 569 CA SER A 39 10.427 8.059 -7.087 1.00 0.00 C ATOM 570 C SER A 39 11.621 8.989 -7.280 1.00 0.00 C ATOM 571 O SER A 39 12.490 9.091 -6.414 1.00 0.00 O ATOM 572 CB SER A 39 10.475 6.928 -8.116 1.00 0.00 C ATOM 573 OG SER A 39 11.568 6.061 -7.870 1.00 0.00 O ATOM 0 H SER A 39 9.096 9.370 -8.038 1.00 0.00 H new ATOM 0 HA SER A 39 10.480 7.631 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.544 6.363 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.558 7.348 -9.119 1.00 0.00 H new ATOM 0 HG SER A 39 11.576 5.346 -8.540 1.00 0.00 H new ATOM 579 N SER A 40 11.658 9.665 -8.424 1.00 0.00 N ATOM 580 CA SER A 40 12.746 10.584 -8.735 1.00 0.00 C ATOM 581 C SER A 40 12.247 11.751 -9.580 1.00 0.00 C ATOM 582 O SER A 40 11.139 11.716 -10.112 1.00 0.00 O ATOM 583 CB SER A 40 13.868 9.848 -9.472 1.00 0.00 C ATOM 584 OG SER A 40 15.016 10.669 -9.602 1.00 0.00 O ATOM 0 H SER A 40 10.946 9.593 -9.151 1.00 0.00 H new ATOM 0 HA SER A 40 13.135 10.979 -7.796 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.127 8.938 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.521 9.544 -10.459 1.00 0.00 H new ATOM 0 HG SER A 40 15.719 10.176 -10.074 1.00 0.00 H new TER 590 SER A 40