USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 297 hydrogens (2 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 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0.894) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 80:sc= 0.586 USER MOD Single : A 26 HIS : no HD1:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc=-0.00332 F(o=-0.89,f=-0.0033) USER MOD Single : A 32 THR OG1 : rot 70:sc= 1.06 USER MOD Single : A 34 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 24.361 9.386 3.383 1.00 0.00 N ATOM 2 CA TYR A 1 23.606 8.690 2.320 1.00 0.00 C ATOM 3 C TYR A 1 24.543 8.241 1.203 1.00 0.00 C ATOM 4 O TYR A 1 24.956 9.043 0.367 1.00 0.00 O ATOM 5 CB TYR A 1 22.533 9.628 1.759 1.00 0.00 C ATOM 6 CG TYR A 1 21.478 8.942 0.921 1.00 0.00 C ATOM 7 CD1 TYR A 1 20.561 8.072 1.498 1.00 0.00 C ATOM 8 CD2 TYR A 1 21.389 9.179 -0.443 1.00 0.00 C ATOM 9 CE1 TYR A 1 19.585 7.460 0.736 1.00 0.00 C ATOM 10 CE2 TYR A 1 20.419 8.569 -1.212 1.00 0.00 C ATOM 11 CZ TYR A 1 19.517 7.712 -0.619 1.00 0.00 C ATOM 12 OH TYR A 1 18.539 7.116 -1.384 1.00 0.00 O ATOM 0 H1 TYR A 1 23.707 9.684 4.135 1.00 0.00 H new ATOM 0 H2 TYR A 1 25.075 8.742 3.780 1.00 0.00 H new ATOM 0 H3 TYR A 1 24.833 10.222 2.983 1.00 0.00 H new ATOM 0 HA TYR A 1 23.130 7.806 2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 1 22.045 10.139 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 1 23.018 10.394 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 1 20.612 7.871 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 1 22.091 9.853 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 1 18.878 6.787 1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 1 20.367 8.762 -2.273 1.00 0.00 H new ATOM 0 HH TYR A 1 18.633 7.402 -2.317 1.00 0.00 H new ATOM 24 N PRO A 2 24.909 6.950 1.184 1.00 0.00 N ATOM 25 CA PRO A 2 25.756 6.389 0.136 1.00 0.00 C ATOM 26 C PRO A 2 24.970 6.094 -1.137 1.00 0.00 C ATOM 27 O PRO A 2 24.008 5.325 -1.120 1.00 0.00 O ATOM 28 CB PRO A 2 26.267 5.092 0.758 1.00 0.00 C ATOM 29 CG PRO A 2 25.195 4.677 1.708 1.00 0.00 C ATOM 30 CD PRO A 2 24.532 5.942 2.193 1.00 0.00 C ATOM 0 HA PRO A 2 26.548 7.074 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 2 26.439 4.330 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 2 27.215 5.247 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 2 24.473 4.026 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 2 25.614 4.115 2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 2 23.450 5.827 2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 2 24.882 6.221 3.187 1.00 0.00 H new ATOM 38 N ILE A 3 25.374 6.707 -2.238 1.00 0.00 N ATOM 39 CA ILE A 3 24.681 6.508 -3.499 1.00 0.00 C ATOM 40 C ILE A 3 24.953 5.113 -4.065 1.00 0.00 C ATOM 41 O ILE A 3 24.033 4.437 -4.525 1.00 0.00 O ATOM 42 CB ILE A 3 25.040 7.604 -4.535 1.00 0.00 C ATOM 43 CG1 ILE A 3 24.376 7.323 -5.884 1.00 0.00 C ATOM 44 CG2 ILE A 3 26.545 7.733 -4.704 1.00 0.00 C ATOM 45 CD1 ILE A 3 23.096 8.098 -6.103 1.00 0.00 C ATOM 0 H ILE A 3 26.172 7.341 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 3 23.614 6.590 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 3 24.659 8.551 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.078 7.565 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 3 24.162 6.257 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.764 8.510 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.997 7.998 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.955 6.784 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.682 7.848 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.376 7.839 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.306 9.167 -6.061 1.00 0.00 H new ATOM 57 N LYS A 4 26.205 4.669 -4.008 1.00 0.00 N ATOM 58 CA LYS A 4 26.560 3.344 -4.511 1.00 0.00 C ATOM 59 C LYS A 4 27.612 2.666 -3.636 1.00 0.00 C ATOM 60 O LYS A 4 28.796 2.666 -3.965 1.00 0.00 O ATOM 61 CB LYS A 4 27.063 3.429 -5.961 1.00 0.00 C ATOM 62 CG LYS A 4 25.964 3.648 -6.991 1.00 0.00 C ATOM 63 CD LYS A 4 24.974 2.494 -7.013 1.00 0.00 C ATOM 64 CE LYS A 4 23.646 2.913 -7.622 1.00 0.00 C ATOM 65 NZ LYS A 4 22.668 3.349 -6.588 1.00 0.00 N ATOM 0 H LYS A 4 26.985 5.201 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 4 25.655 2.737 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 4 27.784 4.243 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.595 2.509 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 4 25.436 4.575 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 4 26.409 3.764 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 4 25.392 1.665 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 4 24.812 2.132 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.812 3.726 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.228 2.080 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.902 3.887 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.271 2.514 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.148 3.951 -5.888 1.00 0.00 H new ATOM 79 N PRO A 5 27.185 2.087 -2.498 1.00 0.00 N ATOM 80 CA PRO A 5 28.075 1.312 -1.627 1.00 0.00 C ATOM 81 C PRO A 5 28.493 -0.010 -2.259 1.00 0.00 C ATOM 82 O PRO A 5 29.515 -0.105 -2.932 1.00 0.00 O ATOM 83 CB PRO A 5 27.229 1.074 -0.370 1.00 0.00 C ATOM 84 CG PRO A 5 25.810 1.186 -0.824 1.00 0.00 C ATOM 85 CD PRO A 5 25.808 2.159 -1.969 1.00 0.00 C ATOM 0 HA PRO A 5 29.010 1.835 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 5 27.429 0.092 0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 5 27.455 1.810 0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.425 0.216 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.170 1.537 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.074 1.883 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 5 25.560 3.167 -1.636 1.00 0.00 H new ATOM 93 N GLU A 6 27.693 -1.019 -2.013 1.00 0.00 N ATOM 94 CA GLU A 6 27.869 -2.332 -2.618 1.00 0.00 C ATOM 95 C GLU A 6 26.496 -2.942 -2.887 1.00 0.00 C ATOM 96 O GLU A 6 26.140 -3.204 -4.035 1.00 0.00 O ATOM 97 CB GLU A 6 28.699 -3.242 -1.704 1.00 0.00 C ATOM 98 CG GLU A 6 28.909 -4.646 -2.252 1.00 0.00 C ATOM 99 CD GLU A 6 29.934 -4.693 -3.368 1.00 0.00 C ATOM 100 OE1 GLU A 6 29.576 -4.394 -4.525 1.00 0.00 O ATOM 101 OE2 GLU A 6 31.103 -5.027 -3.095 1.00 0.00 O ATOM 0 H GLU A 6 26.893 -0.959 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 6 28.409 -2.229 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 6 29.672 -2.780 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 6 28.207 -3.312 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 6 29.229 -5.303 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 6 27.959 -5.033 -2.621 1.00 0.00 H new ATOM 108 N ALA A 7 25.740 -3.145 -1.806 1.00 0.00 N ATOM 109 CA ALA A 7 24.349 -3.610 -1.868 1.00 0.00 C ATOM 110 C ALA A 7 24.240 -5.057 -2.347 1.00 0.00 C ATOM 111 O ALA A 7 24.589 -5.378 -3.482 1.00 0.00 O ATOM 112 CB ALA A 7 23.502 -2.692 -2.746 1.00 0.00 C ATOM 0 H ALA A 7 26.076 -2.991 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 7 23.962 -3.575 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.476 -3.060 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 7 23.514 -1.683 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 7 23.910 -2.677 -3.757 1.00 0.00 H new ATOM 118 N PRO A 8 23.751 -5.952 -1.478 1.00 0.00 N ATOM 119 CA PRO A 8 23.514 -7.349 -1.827 1.00 0.00 C ATOM 120 C PRO A 8 22.142 -7.542 -2.480 1.00 0.00 C ATOM 121 O PRO A 8 21.620 -6.632 -3.131 1.00 0.00 O ATOM 122 CB PRO A 8 23.576 -8.042 -0.465 1.00 0.00 C ATOM 123 CG PRO A 8 23.056 -7.029 0.498 1.00 0.00 C ATOM 124 CD PRO A 8 23.391 -5.671 -0.076 1.00 0.00 C ATOM 0 HA PRO A 8 24.228 -7.739 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 8 22.970 -8.948 -0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 8 24.595 -8.338 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 8 21.980 -7.138 0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.513 -7.158 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.542 -4.990 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.216 -5.204 0.461 1.00 0.00 H new ATOM 132 N GLY A 9 21.557 -8.715 -2.291 1.00 0.00 N ATOM 133 CA GLY A 9 20.237 -8.977 -2.815 1.00 0.00 C ATOM 134 C GLY A 9 19.256 -9.245 -1.699 1.00 0.00 C ATOM 135 O GLY A 9 18.863 -8.328 -0.978 1.00 0.00 O ATOM 0 H GLY A 9 21.977 -9.492 -1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.900 -8.124 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.272 -9.834 -3.487 1.00 0.00 H new ATOM 139 N GLU A 10 18.875 -10.501 -1.537 1.00 0.00 N ATOM 140 CA GLU A 10 17.981 -10.882 -0.456 1.00 0.00 C ATOM 141 C GLU A 10 18.531 -12.081 0.306 1.00 0.00 C ATOM 142 O GLU A 10 18.008 -12.454 1.355 1.00 0.00 O ATOM 143 CB GLU A 10 16.585 -11.197 -0.990 1.00 0.00 C ATOM 144 CG GLU A 10 15.829 -9.975 -1.487 1.00 0.00 C ATOM 145 CD GLU A 10 15.800 -9.893 -2.998 1.00 0.00 C ATOM 146 OE1 GLU A 10 16.053 -10.924 -3.655 1.00 0.00 O ATOM 147 OE2 GLU A 10 15.524 -8.802 -3.534 1.00 0.00 O ATOM 0 H GLU A 10 19.169 -11.271 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 10 17.909 -10.037 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.671 -11.916 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.004 -11.677 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.808 -10.003 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.294 -9.075 -1.085 1.00 0.00 H new ATOM 154 N ASP A 11 19.584 -12.686 -0.229 1.00 0.00 N ATOM 155 CA ASP A 11 20.223 -13.818 0.427 1.00 0.00 C ATOM 156 C ASP A 11 21.049 -13.333 1.612 1.00 0.00 C ATOM 157 O ASP A 11 21.041 -13.955 2.674 1.00 0.00 O ATOM 158 CB ASP A 11 21.082 -14.603 -0.579 1.00 0.00 C ATOM 159 CG ASP A 11 22.567 -14.618 -0.255 1.00 0.00 C ATOM 160 OD1 ASP A 11 23.270 -13.653 -0.626 1.00 0.00 O ATOM 161 OD2 ASP A 11 23.039 -15.606 0.345 1.00 0.00 O ATOM 0 H ASP A 11 20.012 -12.412 -1.113 1.00 0.00 H new ATOM 0 HA ASP A 11 19.457 -14.495 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.721 -15.631 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 11 20.943 -14.173 -1.571 1.00 0.00 H new ATOM 166 N ALA A 12 21.729 -12.203 1.415 1.00 0.00 N ATOM 167 CA ALA A 12 22.518 -11.551 2.458 1.00 0.00 C ATOM 168 C ALA A 12 23.546 -12.495 3.086 1.00 0.00 C ATOM 169 O ALA A 12 24.625 -12.689 2.531 1.00 0.00 O ATOM 170 CB ALA A 12 21.606 -10.952 3.520 1.00 0.00 C ATOM 0 H ALA A 12 21.747 -11.712 0.521 1.00 0.00 H new ATOM 0 HA ALA A 12 23.080 -10.746 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 12 22.210 -10.471 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 12 20.948 -10.214 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 12 21.006 -11.742 3.972 1.00 0.00 H new ATOM 176 N SER A 13 23.198 -13.073 4.238 1.00 0.00 N ATOM 177 CA SER A 13 24.108 -13.927 5.004 1.00 0.00 C ATOM 178 C SER A 13 25.253 -13.107 5.613 1.00 0.00 C ATOM 179 O SER A 13 25.673 -12.088 5.057 1.00 0.00 O ATOM 180 CB SER A 13 24.642 -15.067 4.131 1.00 0.00 C ATOM 181 OG SER A 13 23.647 -16.062 3.933 1.00 0.00 O ATOM 0 H SER A 13 22.279 -12.962 4.665 1.00 0.00 H new ATOM 0 HA SER A 13 23.548 -14.369 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 13 24.964 -14.672 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.518 -15.512 4.603 1.00 0.00 H new ATOM 0 HG SER A 13 24.009 -16.779 3.372 1.00 0.00 H new ATOM 187 N PRO A 14 25.771 -13.545 6.775 1.00 0.00 N ATOM 188 CA PRO A 14 26.781 -12.799 7.546 1.00 0.00 C ATOM 189 C PRO A 14 28.117 -12.596 6.824 1.00 0.00 C ATOM 190 O PRO A 14 29.006 -11.940 7.356 1.00 0.00 O ATOM 191 CB PRO A 14 26.988 -13.654 8.803 1.00 0.00 C ATOM 192 CG PRO A 14 26.503 -15.011 8.434 1.00 0.00 C ATOM 193 CD PRO A 14 25.391 -14.797 7.450 1.00 0.00 C ATOM 0 HA PRO A 14 26.431 -11.785 7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 14 28.038 -13.677 9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.430 -13.253 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.304 -15.606 7.995 1.00 0.00 H new ATOM 0 HG3 PRO A 14 26.149 -15.551 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.312 -15.625 6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.425 -14.708 7.948 1.00 0.00 H new ATOM 201 N GLU A 15 28.272 -13.146 5.629 1.00 0.00 N ATOM 202 CA GLU A 15 29.494 -12.928 4.865 1.00 0.00 C ATOM 203 C GLU A 15 29.291 -11.853 3.795 1.00 0.00 C ATOM 204 O GLU A 15 30.095 -10.933 3.676 1.00 0.00 O ATOM 205 CB GLU A 15 29.976 -14.227 4.222 1.00 0.00 C ATOM 206 CG GLU A 15 31.479 -14.447 4.335 1.00 0.00 C ATOM 207 CD GLU A 15 32.025 -14.097 5.706 1.00 0.00 C ATOM 208 OE1 GLU A 15 32.034 -14.981 6.591 1.00 0.00 O ATOM 209 OE2 GLU A 15 32.452 -12.940 5.908 1.00 0.00 O ATOM 0 H GLU A 15 27.579 -13.738 5.171 1.00 0.00 H new ATOM 0 HA GLU A 15 30.259 -12.581 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.459 -15.066 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.696 -14.226 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.706 -15.490 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 15 31.987 -13.844 3.582 1.00 0.00 H new ATOM 216 N GLU A 16 28.211 -11.963 3.036 1.00 0.00 N ATOM 217 CA GLU A 16 27.927 -11.011 1.967 1.00 0.00 C ATOM 218 C GLU A 16 27.452 -9.693 2.552 1.00 0.00 C ATOM 219 O GLU A 16 27.841 -8.618 2.091 1.00 0.00 O ATOM 220 CB GLU A 16 26.871 -11.568 1.013 1.00 0.00 C ATOM 221 CG GLU A 16 27.388 -11.879 -0.384 1.00 0.00 C ATOM 222 CD GLU A 16 28.897 -11.955 -0.453 1.00 0.00 C ATOM 223 OE1 GLU A 16 29.452 -13.052 -0.247 1.00 0.00 O ATOM 224 OE2 GLU A 16 29.536 -10.915 -0.711 1.00 0.00 O ATOM 0 H GLU A 16 27.515 -12.702 3.139 1.00 0.00 H new ATOM 0 HA GLU A 16 28.846 -10.842 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.454 -12.478 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 16 26.055 -10.849 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 16 26.966 -12.827 -0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.036 -11.112 -1.074 1.00 0.00 H new ATOM 231 N LEU A 17 26.620 -9.778 3.585 1.00 0.00 N ATOM 232 CA LEU A 17 26.145 -8.587 4.270 1.00 0.00 C ATOM 233 C LEU A 17 27.308 -7.891 4.958 1.00 0.00 C ATOM 234 O LEU A 17 27.374 -6.669 4.986 1.00 0.00 O ATOM 235 CB LEU A 17 25.065 -8.934 5.297 1.00 0.00 C ATOM 236 CG LEU A 17 23.999 -7.856 5.509 1.00 0.00 C ATOM 237 CD1 LEU A 17 23.169 -7.669 4.247 1.00 0.00 C ATOM 238 CD2 LEU A 17 23.109 -8.215 6.692 1.00 0.00 C ATOM 0 H LEU A 17 26.264 -10.656 3.963 1.00 0.00 H new ATOM 0 HA LEU A 17 25.706 -7.919 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 17 24.571 -9.854 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 17 25.547 -9.139 6.253 1.00 0.00 H new ATOM 0 HG LEU A 17 24.499 -6.913 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 17 22.417 -6.899 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 17 23.819 -7.366 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.676 -8.608 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 17 22.356 -7.439 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.616 -9.168 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 23.717 -8.295 7.593 1.00 0.00 H new ATOM 250 N ASN A 18 28.234 -8.681 5.493 1.00 0.00 N ATOM 251 CA ASN A 18 29.416 -8.135 6.150 1.00 0.00 C ATOM 252 C ASN A 18 30.388 -7.584 5.112 1.00 0.00 C ATOM 253 O ASN A 18 31.115 -6.625 5.374 1.00 0.00 O ATOM 254 CB ASN A 18 30.105 -9.200 7.005 1.00 0.00 C ATOM 255 CG ASN A 18 31.320 -8.671 7.744 1.00 0.00 C ATOM 256 OD1 ASN A 18 31.204 -7.927 8.721 1.00 0.00 O ATOM 257 ND2 ASN A 18 32.494 -9.059 7.283 1.00 0.00 N ATOM 0 H ASN A 18 28.189 -9.700 5.484 1.00 0.00 H new ATOM 0 HA ASN A 18 29.099 -7.323 6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 18 29.391 -9.596 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 18 30.407 -10.031 6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.350 -8.743 7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.545 -9.675 6.472 1.00 0.00 H new ATOM 264 N ARG A 19 30.395 -8.184 3.925 1.00 0.00 N ATOM 265 CA ARG A 19 31.239 -7.687 2.846 1.00 0.00 C ATOM 266 C ARG A 19 30.751 -6.324 2.379 1.00 0.00 C ATOM 267 O ARG A 19 31.506 -5.355 2.367 1.00 0.00 O ATOM 268 CB ARG A 19 31.258 -8.665 1.678 1.00 0.00 C ATOM 269 CG ARG A 19 32.647 -9.201 1.369 1.00 0.00 C ATOM 270 CD ARG A 19 32.770 -9.625 -0.084 1.00 0.00 C ATOM 271 NE ARG A 19 32.110 -10.901 -0.334 1.00 0.00 N ATOM 272 CZ ARG A 19 32.747 -12.042 -0.575 1.00 0.00 C ATOM 273 NH1 ARG A 19 34.072 -12.065 -0.652 1.00 0.00 N ATOM 274 NH2 ARG A 19 32.048 -13.155 -0.745 1.00 0.00 N ATOM 0 H ARG A 19 29.834 -9.003 3.689 1.00 0.00 H new ATOM 0 HA ARG A 19 32.255 -7.587 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 19 30.594 -9.500 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 19 30.861 -8.170 0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.391 -8.435 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.862 -10.051 2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.334 -8.859 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.824 -9.702 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 19 31.090 -10.919 -0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 19 34.605 -11.205 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 19 34.557 -12.943 -0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.030 -13.131 -0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.528 -14.036 -0.930 1.00 0.00 H new ATOM 288 N TYR A 20 29.472 -6.253 2.019 1.00 0.00 N ATOM 289 CA TYR A 20 28.858 -4.995 1.607 1.00 0.00 C ATOM 290 C TYR A 20 28.931 -3.983 2.746 1.00 0.00 C ATOM 291 O TYR A 20 29.036 -2.777 2.522 1.00 0.00 O ATOM 292 CB TYR A 20 27.401 -5.239 1.165 1.00 0.00 C ATOM 293 CG TYR A 20 26.355 -4.446 1.924 1.00 0.00 C ATOM 294 CD1 TYR A 20 25.796 -4.942 3.098 1.00 0.00 C ATOM 295 CD2 TYR A 20 25.924 -3.208 1.465 1.00 0.00 C ATOM 296 CE1 TYR A 20 24.842 -4.224 3.794 1.00 0.00 C ATOM 297 CE2 TYR A 20 24.969 -2.485 2.153 1.00 0.00 C ATOM 298 CZ TYR A 20 24.433 -2.997 3.317 1.00 0.00 C ATOM 299 OH TYR A 20 23.480 -2.277 4.002 1.00 0.00 O ATOM 0 H TYR A 20 28.840 -7.054 2.005 1.00 0.00 H new ATOM 0 HA TYR A 20 29.404 -4.586 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 20 27.315 -5.002 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 20 27.178 -6.301 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 20 26.113 -5.904 3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 20 26.342 -2.804 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 20 24.420 -4.621 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 20 24.644 -1.524 1.782 1.00 0.00 H new ATOM 0 HH TYR A 20 23.306 -1.435 3.532 1.00 0.00 H new ATOM 309 N TYR A 21 28.879 -4.503 3.964 1.00 0.00 N ATOM 310 CA TYR A 21 28.984 -3.704 5.176 1.00 0.00 C ATOM 311 C TYR A 21 30.258 -2.879 5.182 1.00 0.00 C ATOM 312 O TYR A 21 30.226 -1.646 5.208 1.00 0.00 O ATOM 313 CB TYR A 21 28.994 -4.634 6.382 1.00 0.00 C ATOM 314 CG TYR A 21 28.245 -4.117 7.572 1.00 0.00 C ATOM 315 CD1 TYR A 21 26.872 -4.262 7.663 1.00 0.00 C ATOM 316 CD2 TYR A 21 28.915 -3.499 8.611 1.00 0.00 C ATOM 317 CE1 TYR A 21 26.183 -3.800 8.759 1.00 0.00 C ATOM 318 CE2 TYR A 21 28.242 -3.031 9.714 1.00 0.00 C ATOM 319 CZ TYR A 21 26.870 -3.184 9.788 1.00 0.00 C ATOM 320 OH TYR A 21 26.185 -2.727 10.889 1.00 0.00 O ATOM 0 H TYR A 21 28.762 -5.501 4.140 1.00 0.00 H new ATOM 0 HA TYR A 21 28.132 -3.026 5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 21 28.567 -5.593 6.089 1.00 0.00 H new ATOM 0 HB3 TYR A 21 30.028 -4.821 6.672 1.00 0.00 H new ATOM 0 HD1 TYR A 21 26.334 -4.745 6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 21 29.987 -3.382 8.555 1.00 0.00 H new ATOM 0 HE1 TYR A 21 25.111 -3.918 8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 21 28.780 -2.548 10.516 1.00 0.00 H new ATOM 0 HH TYR A 21 26.815 -2.321 11.521 1.00 0.00 H new ATOM 330 N ALA A 22 31.382 -3.573 5.149 1.00 0.00 N ATOM 331 CA ALA A 22 32.672 -2.923 5.227 1.00 0.00 C ATOM 332 C ALA A 22 32.996 -2.194 3.928 1.00 0.00 C ATOM 333 O ALA A 22 33.821 -1.283 3.913 1.00 0.00 O ATOM 334 CB ALA A 22 33.741 -3.937 5.591 1.00 0.00 C ATOM 0 H ALA A 22 31.424 -4.589 5.068 1.00 0.00 H new ATOM 0 HA ALA A 22 32.642 -2.169 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 22 34.710 -3.440 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 33.505 -4.384 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 22 33.777 -4.717 4.830 1.00 0.00 H new ATOM 340 N SER A 23 32.334 -2.584 2.844 1.00 0.00 N ATOM 341 CA SER A 23 32.440 -1.863 1.581 1.00 0.00 C ATOM 342 C SER A 23 31.714 -0.521 1.675 1.00 0.00 C ATOM 343 O SER A 23 32.081 0.445 1.011 1.00 0.00 O ATOM 344 CB SER A 23 31.864 -2.696 0.437 1.00 0.00 C ATOM 345 OG SER A 23 32.668 -3.835 0.188 1.00 0.00 O ATOM 0 H SER A 23 31.718 -3.396 2.815 1.00 0.00 H new ATOM 0 HA SER A 23 33.495 -1.678 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.850 -3.009 0.684 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.799 -2.087 -0.465 1.00 0.00 H new ATOM 0 HG SER A 23 32.463 -4.531 0.847 1.00 0.00 H new ATOM 351 N LEU A 24 30.697 -0.467 2.525 1.00 0.00 N ATOM 352 CA LEU A 24 29.961 0.754 2.780 1.00 0.00 C ATOM 353 C LEU A 24 30.797 1.647 3.671 1.00 0.00 C ATOM 354 O LEU A 24 30.819 2.854 3.504 1.00 0.00 O ATOM 355 CB LEU A 24 28.621 0.437 3.453 1.00 0.00 C ATOM 356 CG LEU A 24 27.801 1.647 3.908 1.00 0.00 C ATOM 357 CD1 LEU A 24 26.402 1.588 3.320 1.00 0.00 C ATOM 358 CD2 LEU A 24 27.738 1.707 5.426 1.00 0.00 C ATOM 0 H LEU A 24 30.363 -1.272 3.055 1.00 0.00 H new ATOM 0 HA LEU A 24 29.755 1.262 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 24 28.017 -0.147 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 24 28.812 -0.195 4.320 1.00 0.00 H new ATOM 0 HG LEU A 24 28.290 2.552 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.831 2.455 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 24 26.464 1.590 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.905 0.677 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 24 27.151 2.573 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 24 27.270 0.799 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 24 28.747 1.792 5.829 1.00 0.00 H new ATOM 370 N ARG A 25 31.494 1.035 4.620 1.00 0.00 N ATOM 371 CA ARG A 25 32.415 1.771 5.470 1.00 0.00 C ATOM 372 C ARG A 25 33.603 2.261 4.651 1.00 0.00 C ATOM 373 O ARG A 25 34.113 3.355 4.879 1.00 0.00 O ATOM 374 CB ARG A 25 32.885 0.905 6.642 1.00 0.00 C ATOM 375 CG ARG A 25 32.640 1.540 8.007 1.00 0.00 C ATOM 376 CD ARG A 25 31.447 2.488 7.979 1.00 0.00 C ATOM 377 NE ARG A 25 31.564 3.557 8.967 1.00 0.00 N ATOM 378 CZ ARG A 25 32.282 4.667 8.799 1.00 0.00 C ATOM 379 NH1 ARG A 25 32.970 4.869 7.680 1.00 0.00 N ATOM 380 NH2 ARG A 25 32.312 5.578 9.760 1.00 0.00 N ATOM 0 H ARG A 25 31.438 0.036 4.818 1.00 0.00 H new ATOM 0 HA ARG A 25 31.893 2.635 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 25 32.373 -0.056 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 25 33.950 0.704 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 25 32.467 0.758 8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 25 33.531 2.084 8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 25 31.356 2.924 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 25 30.533 1.924 8.164 1.00 0.00 H new ATOM 0 HE ARG A 25 31.061 3.446 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 25 32.952 4.170 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 25 33.516 5.723 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 25 31.788 5.428 10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 25 32.859 6.430 9.638 1.00 0.00 H new ATOM 394 N HIS A 26 34.019 1.445 3.686 1.00 0.00 N ATOM 395 CA HIS A 26 35.078 1.810 2.752 1.00 0.00 C ATOM 396 C HIS A 26 34.612 2.965 1.879 1.00 0.00 C ATOM 397 O HIS A 26 35.298 3.979 1.747 1.00 0.00 O ATOM 398 CB HIS A 26 35.435 0.609 1.868 1.00 0.00 C ATOM 399 CG HIS A 26 36.902 0.423 1.629 1.00 0.00 C ATOM 400 ND1 HIS A 26 37.464 -0.810 1.390 1.00 0.00 N ATOM 401 CD2 HIS A 26 37.921 1.313 1.576 1.00 0.00 C ATOM 402 CE1 HIS A 26 38.761 -0.674 1.205 1.00 0.00 C ATOM 403 NE2 HIS A 26 39.065 0.605 1.312 1.00 0.00 N ATOM 0 H HIS A 26 33.632 0.514 3.530 1.00 0.00 H new ATOM 0 HA HIS A 26 35.961 2.113 3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 26 35.038 -0.295 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 26 34.935 0.722 0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 26 37.847 2.381 1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 26 39.457 -1.474 1.000 1.00 0.00 H new ATOM 0 HE2 HIS A 26 39.999 1.003 1.214 1.00 0.00 H new ATOM 412 N TYR A 27 33.428 2.797 1.298 1.00 0.00 N ATOM 413 CA TYR A 27 32.833 3.811 0.440 1.00 0.00 C ATOM 414 C TYR A 27 32.608 5.102 1.211 1.00 0.00 C ATOM 415 O TYR A 27 32.975 6.179 0.749 1.00 0.00 O ATOM 416 CB TYR A 27 31.502 3.308 -0.137 1.00 0.00 C ATOM 417 CG TYR A 27 30.936 4.191 -1.228 1.00 0.00 C ATOM 418 CD1 TYR A 27 31.762 4.729 -2.207 1.00 0.00 C ATOM 419 CD2 TYR A 27 29.580 4.496 -1.275 1.00 0.00 C ATOM 420 CE1 TYR A 27 31.255 5.543 -3.200 1.00 0.00 C ATOM 421 CE2 TYR A 27 29.069 5.307 -2.263 1.00 0.00 C ATOM 422 CZ TYR A 27 29.908 5.829 -3.224 1.00 0.00 C ATOM 423 OH TYR A 27 29.397 6.635 -4.214 1.00 0.00 O ATOM 0 H TYR A 27 32.858 1.958 1.409 1.00 0.00 H new ATOM 0 HA TYR A 27 33.523 4.010 -0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 27 31.646 2.303 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 27 30.773 3.231 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 27 32.819 4.507 -2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 27 28.918 4.090 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 27 31.911 5.953 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.013 5.534 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 27 29.933 6.534 -5.028 1.00 0.00 H new ATOM 433 N LEU A 28 32.017 4.986 2.391 1.00 0.00 N ATOM 434 CA LEU A 28 31.708 6.166 3.203 1.00 0.00 C ATOM 435 C LEU A 28 32.979 6.895 3.635 1.00 0.00 C ATOM 436 O LEU A 28 33.013 8.125 3.686 1.00 0.00 O ATOM 437 CB LEU A 28 30.883 5.783 4.437 1.00 0.00 C ATOM 438 CG LEU A 28 29.423 5.380 4.171 1.00 0.00 C ATOM 439 CD1 LEU A 28 28.512 5.914 5.267 1.00 0.00 C ATOM 440 CD2 LEU A 28 28.953 5.870 2.805 1.00 0.00 C ATOM 0 H LEU A 28 31.742 4.098 2.810 1.00 0.00 H new ATOM 0 HA LEU A 28 31.119 6.840 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 28 31.382 4.955 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 28 30.887 6.626 5.128 1.00 0.00 H new ATOM 0 HG LEU A 28 29.373 4.291 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 27.483 5.619 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 28 28.821 5.505 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 28 28.578 7.002 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 27.917 5.569 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 28 29.026 6.957 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 28 29.580 5.435 2.027 1.00 0.00 H new ATOM 452 N ASN A 29 34.022 6.135 3.938 1.00 0.00 N ATOM 453 CA ASN A 29 35.287 6.721 4.365 1.00 0.00 C ATOM 454 C ASN A 29 35.929 7.494 3.222 1.00 0.00 C ATOM 455 O ASN A 29 36.301 8.657 3.377 1.00 0.00 O ATOM 456 CB ASN A 29 36.241 5.632 4.860 1.00 0.00 C ATOM 457 CG ASN A 29 37.474 6.193 5.542 1.00 0.00 C ATOM 458 OD1 ASN A 29 37.295 7.241 6.329 1.00 0.00 O flip ATOM 459 ND2 ASN A 29 38.582 5.682 5.364 1.00 0.00 N flip ATOM 0 H ASN A 29 34.019 5.116 3.897 1.00 0.00 H new ATOM 0 HA ASN A 29 35.085 7.410 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 29 35.712 4.981 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 29 36.548 5.014 4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 29 38.678 4.874 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 29 39.402 6.067 5.832 1.00 0.00 H new ATOM 466 N LEU A 30 36.034 6.849 2.068 1.00 0.00 N ATOM 467 CA LEU A 30 36.648 7.461 0.896 1.00 0.00 C ATOM 468 C LEU A 30 35.798 8.615 0.365 1.00 0.00 C ATOM 469 O LEU A 30 36.319 9.573 -0.202 1.00 0.00 O ATOM 470 CB LEU A 30 36.866 6.415 -0.199 1.00 0.00 C ATOM 471 CG LEU A 30 38.137 5.578 -0.046 1.00 0.00 C ATOM 472 CD1 LEU A 30 38.135 4.417 -1.029 1.00 0.00 C ATOM 473 CD2 LEU A 30 39.371 6.445 -0.248 1.00 0.00 C ATOM 0 H LEU A 30 35.700 5.897 1.918 1.00 0.00 H new ATOM 0 HA LEU A 30 37.615 7.865 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 30 36.007 5.744 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 30 36.896 6.921 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 30 38.162 5.171 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 30 39.047 3.833 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 30 37.269 3.782 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 30 38.087 4.803 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 30 40.267 5.834 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 30 39.351 6.880 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 30 39.380 7.243 0.494 1.00 0.00 H new ATOM 485 N VAL A 31 34.487 8.527 0.564 1.00 0.00 N ATOM 486 CA VAL A 31 33.579 9.585 0.133 1.00 0.00 C ATOM 487 C VAL A 31 33.782 10.851 0.970 1.00 0.00 C ATOM 488 O VAL A 31 33.450 11.957 0.540 1.00 0.00 O ATOM 489 CB VAL A 31 32.096 9.119 0.186 1.00 0.00 C ATOM 490 CG1 VAL A 31 31.338 9.727 1.361 1.00 0.00 C ATOM 491 CG2 VAL A 31 31.395 9.443 -1.125 1.00 0.00 C ATOM 0 H VAL A 31 34.030 7.737 1.019 1.00 0.00 H new ATOM 0 HA VAL A 31 33.814 9.819 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 31 32.101 8.039 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 31 30.308 9.370 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 31 31.817 9.432 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 31.346 10.814 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 31 30.358 9.112 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 31 31.424 10.519 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 31 31.900 8.931 -1.944 1.00 0.00 H new ATOM 501 N THR A 32 34.346 10.684 2.159 1.00 0.00 N ATOM 502 CA THR A 32 34.667 11.817 3.007 1.00 0.00 C ATOM 503 C THR A 32 36.165 12.118 2.944 1.00 0.00 C ATOM 504 O THR A 32 36.680 12.960 3.682 1.00 0.00 O ATOM 505 CB THR A 32 34.246 11.570 4.472 1.00 0.00 C ATOM 506 OG1 THR A 32 33.064 10.753 4.521 1.00 0.00 O ATOM 507 CG2 THR A 32 33.975 12.888 5.185 1.00 0.00 C ATOM 0 H THR A 32 34.589 9.776 2.555 1.00 0.00 H new ATOM 0 HA THR A 32 34.107 12.675 2.634 1.00 0.00 H new ATOM 0 HB THR A 32 35.065 11.055 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 32 33.284 9.841 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 32 33.680 12.690 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 32 34.878 13.498 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 32 33.173 13.420 4.674 1.00 0.00 H new ATOM 515 N ARG A 33 36.858 11.431 2.046 1.00 0.00 N ATOM 516 CA ARG A 33 38.292 11.606 1.880 1.00 0.00 C ATOM 517 C ARG A 33 38.681 11.410 0.421 1.00 0.00 C ATOM 518 O ARG A 33 39.407 10.475 0.079 1.00 0.00 O ATOM 519 CB ARG A 33 39.059 10.621 2.765 1.00 0.00 C ATOM 520 CG ARG A 33 40.380 11.170 3.281 1.00 0.00 C ATOM 521 CD ARG A 33 40.284 11.564 4.748 1.00 0.00 C ATOM 522 NE ARG A 33 39.140 12.443 5.012 1.00 0.00 N ATOM 523 CZ ARG A 33 39.085 13.319 6.016 1.00 0.00 C ATOM 524 NH1 ARG A 33 40.101 13.430 6.866 1.00 0.00 N ATOM 525 NH2 ARG A 33 38.007 14.073 6.173 1.00 0.00 N ATOM 0 H ARG A 33 36.445 10.742 1.417 1.00 0.00 H new ATOM 0 HA ARG A 33 38.553 12.620 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 33 38.433 10.344 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 33 39.250 9.709 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 33 41.161 10.420 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 33 40.671 12.037 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 33 40.198 10.665 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 33 41.203 12.067 5.048 1.00 0.00 H new ATOM 0 HE ARG A 33 38.335 12.380 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.928 12.844 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 33 40.054 14.102 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.223 13.982 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.961 14.744 6.940 1.00 0.00 H new ATOM 539 N GLN A 34 38.191 12.302 -0.433 1.00 0.00 N ATOM 540 CA GLN A 34 38.483 12.252 -1.864 1.00 0.00 C ATOM 541 C GLN A 34 39.907 12.734 -2.149 1.00 0.00 C ATOM 542 O GLN A 34 40.125 13.613 -2.987 1.00 0.00 O ATOM 543 CB GLN A 34 37.482 13.120 -2.630 1.00 0.00 C ATOM 544 CG GLN A 34 36.596 12.332 -3.582 1.00 0.00 C ATOM 545 CD GLN A 34 36.312 13.078 -4.876 1.00 0.00 C ATOM 546 OE1 GLN A 34 35.157 13.326 -5.224 1.00 0.00 O ATOM 547 NE2 GLN A 34 37.364 13.443 -5.595 1.00 0.00 N ATOM 0 H GLN A 34 37.585 13.075 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 34 38.396 11.217 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 34 36.852 13.650 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 34 38.027 13.875 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 37.075 11.381 -3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 34 35.653 12.101 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 34 38.305 13.219 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 34 37.232 13.948 -6.471 1.00 0.00 H new ATOM 556 N ARG A 35 40.869 12.150 -1.453 1.00 0.00 N ATOM 557 CA ARG A 35 42.268 12.530 -1.590 1.00 0.00 C ATOM 558 C ARG A 35 42.974 11.595 -2.567 1.00 0.00 C ATOM 559 O ARG A 35 43.467 10.532 -2.182 1.00 0.00 O ATOM 560 CB ARG A 35 42.960 12.510 -0.219 1.00 0.00 C ATOM 561 CG ARG A 35 44.470 12.712 -0.279 1.00 0.00 C ATOM 562 CD ARG A 35 44.875 14.101 0.185 1.00 0.00 C ATOM 563 NE ARG A 35 46.329 14.242 0.251 1.00 0.00 N ATOM 564 CZ ARG A 35 46.962 15.096 1.053 1.00 0.00 C ATOM 565 NH1 ARG A 35 46.268 15.904 1.847 1.00 0.00 N ATOM 566 NH2 ARG A 35 48.289 15.141 1.062 1.00 0.00 N ATOM 0 H ARG A 35 40.704 11.402 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 35 42.322 13.544 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 35 42.525 13.289 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 35 42.751 11.557 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 35 44.961 11.964 0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 35 44.817 12.555 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 35 44.467 14.847 -0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 35 44.445 14.298 1.167 1.00 0.00 H new ATOM 0 HE ARG A 35 46.894 13.648 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 35 45.249 15.871 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 35 46.755 16.557 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 35 48.824 14.521 0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 35 48.773 15.796 1.677 1.00 0.00 H new ATOM 580 N TYR A 36 42.988 11.998 -3.838 1.00 0.00 N ATOM 581 CA TYR A 36 43.658 11.249 -4.899 1.00 0.00 C ATOM 582 C TYR A 36 43.196 9.791 -4.939 1.00 0.00 C ATOM 583 O TYR A 36 44.035 8.888 -4.729 1.00 0.00 O ATOM 584 CB TYR A 36 45.181 11.324 -4.725 1.00 0.00 C ATOM 585 CG TYR A 36 45.915 11.721 -5.986 1.00 0.00 C ATOM 586 CD1 TYR A 36 45.348 12.610 -6.891 1.00 0.00 C ATOM 587 CD2 TYR A 36 47.170 11.200 -6.276 1.00 0.00 C ATOM 588 CE1 TYR A 36 46.008 12.967 -8.049 1.00 0.00 C ATOM 589 CE2 TYR A 36 47.840 11.555 -7.430 1.00 0.00 C ATOM 590 CZ TYR A 36 47.254 12.438 -8.315 1.00 0.00 C ATOM 591 OH TYR A 36 47.915 12.788 -9.473 1.00 0.00 O ATOM 0 H TYR A 36 42.535 12.853 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 36 43.387 11.707 -5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 36 45.414 12.041 -3.938 1.00 0.00 H new ATOM 0 HB3 TYR A 36 45.548 10.354 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 36 44.374 13.029 -6.685 1.00 0.00 H new ATOM 0 HD2 TYR A 36 47.629 10.506 -5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 36 45.552 13.657 -8.743 1.00 0.00 H new ATOM 0 HE2 TYR A 36 48.817 11.144 -7.639 1.00 0.00 H new ATOM 0 HH TYR A 36 48.780 12.329 -9.507 1.00 0.00 H new HETATM 601 N NH2 A 37 41.922 9.544 -5.198 1.00 0.00 N TER 604 NH2 A 37