USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=9 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 Set 1.1: A 34 GLN : amide:sc= 1.22 K(o=2.2,f=1.1) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.1: A 26 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.027) USER MOD Set 2.2: A 29 ASN : amide:sc= 0 X(o=-0.19,f=-0.048) USER MOD Single : A 1 TYR N :NH3+ 136:sc= 0.036 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.142 USER MOD Single : A 18 ASN : amide:sc=-0.00993 X(o=-0.0099,f=-0.23) 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 79:sc= 1.22 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -61:sc= 0.947 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 37.732 7.457 -7.510 1.00 0.00 N ATOM 2 CA TYR A 1 36.262 7.563 -7.411 1.00 0.00 C ATOM 3 C TYR A 1 35.674 6.282 -6.839 1.00 0.00 C ATOM 4 O TYR A 1 36.175 5.191 -7.110 1.00 0.00 O ATOM 5 CB TYR A 1 35.657 7.846 -8.789 1.00 0.00 C ATOM 6 CG TYR A 1 35.482 9.317 -9.076 1.00 0.00 C ATOM 7 CD1 TYR A 1 35.078 10.194 -8.077 1.00 0.00 C ATOM 8 CD2 TYR A 1 35.720 9.828 -10.345 1.00 0.00 C ATOM 9 CE1 TYR A 1 34.913 11.539 -8.334 1.00 0.00 C ATOM 10 CE2 TYR A 1 35.559 11.175 -10.610 1.00 0.00 C ATOM 11 CZ TYR A 1 35.155 12.026 -9.600 1.00 0.00 C ATOM 12 OH TYR A 1 34.993 13.368 -9.854 1.00 0.00 O ATOM 0 H1 TYR A 1 38.046 7.832 -8.428 1.00 0.00 H new ATOM 0 H2 TYR A 1 38.172 8.005 -6.743 1.00 0.00 H new ATOM 0 H3 TYR A 1 38.014 6.459 -7.428 1.00 0.00 H new ATOM 0 HA TYR A 1 36.020 8.389 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 1 36.296 7.407 -9.555 1.00 0.00 H new ATOM 0 HB3 TYR A 1 34.688 7.352 -8.861 1.00 0.00 H new ATOM 0 HD1 TYR A 1 34.890 9.816 -7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 1 36.035 9.164 -11.136 1.00 0.00 H new ATOM 0 HE1 TYR A 1 34.596 12.207 -7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 1 35.748 11.560 -11.601 1.00 0.00 H new ATOM 0 HH TYR A 1 35.204 13.551 -10.793 1.00 0.00 H new ATOM 24 N PRO A 2 34.624 6.398 -6.015 1.00 0.00 N ATOM 25 CA PRO A 2 33.925 5.241 -5.455 1.00 0.00 C ATOM 26 C PRO A 2 32.946 4.629 -6.456 1.00 0.00 C ATOM 27 O PRO A 2 33.086 4.807 -7.667 1.00 0.00 O ATOM 28 CB PRO A 2 33.179 5.841 -4.263 1.00 0.00 C ATOM 29 CG PRO A 2 32.887 7.242 -4.676 1.00 0.00 C ATOM 30 CD PRO A 2 34.034 7.670 -5.554 1.00 0.00 C ATOM 0 HA PRO A 2 34.601 4.429 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 2 32.263 5.290 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 2 33.786 5.812 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 2 31.942 7.300 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 2 32.798 7.893 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 2 33.691 8.278 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 2 34.758 8.269 -5.001 1.00 0.00 H new ATOM 38 N ILE A 3 31.956 3.911 -5.946 1.00 0.00 N ATOM 39 CA ILE A 3 30.944 3.303 -6.792 1.00 0.00 C ATOM 40 C ILE A 3 29.592 3.264 -6.050 1.00 0.00 C ATOM 41 O ILE A 3 29.060 4.314 -5.700 1.00 0.00 O ATOM 42 CB ILE A 3 31.410 1.904 -7.299 1.00 0.00 C ATOM 43 CG1 ILE A 3 30.377 1.281 -8.246 1.00 0.00 C ATOM 44 CG2 ILE A 3 31.741 0.961 -6.147 1.00 0.00 C ATOM 45 CD1 ILE A 3 30.690 1.501 -9.710 1.00 0.00 C ATOM 0 H ILE A 3 31.833 3.736 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 3 30.800 3.912 -7.684 1.00 0.00 H new ATOM 0 HB ILE A 3 32.330 2.059 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.318 0.210 -8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.395 1.700 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 3 32.061 -0.002 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 3 32.542 1.389 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.856 0.821 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.918 1.034 -10.321 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.720 2.570 -9.919 1.00 0.00 H new ATOM 0 HD13 ILE A 3 31.657 1.058 -9.946 1.00 0.00 H new ATOM 57 N LYS A 4 29.049 2.084 -5.782 1.00 0.00 N ATOM 58 CA LYS A 4 27.756 1.962 -5.128 1.00 0.00 C ATOM 59 C LYS A 4 27.628 0.603 -4.455 1.00 0.00 C ATOM 60 O LYS A 4 27.706 -0.432 -5.114 1.00 0.00 O ATOM 61 CB LYS A 4 26.624 2.154 -6.141 1.00 0.00 C ATOM 62 CG LYS A 4 25.738 3.355 -5.847 1.00 0.00 C ATOM 63 CD LYS A 4 25.707 4.321 -7.021 1.00 0.00 C ATOM 64 CE LYS A 4 24.353 4.325 -7.707 1.00 0.00 C ATOM 65 NZ LYS A 4 23.600 5.583 -7.447 1.00 0.00 N ATOM 0 H LYS A 4 29.489 1.192 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 4 27.681 2.739 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 4 27.054 2.266 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 4 26.008 1.255 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 4 24.726 3.017 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 4 26.104 3.870 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 4 25.941 5.327 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 4 26.479 4.046 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.490 4.200 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.768 3.474 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.682 5.545 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.446 5.690 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.146 6.394 -7.802 1.00 0.00 H new ATOM 79 N PRO A 5 27.454 0.590 -3.131 1.00 0.00 N ATOM 80 CA PRO A 5 27.276 -0.644 -2.377 1.00 0.00 C ATOM 81 C PRO A 5 25.828 -1.131 -2.406 1.00 0.00 C ATOM 82 O PRO A 5 25.045 -0.848 -1.497 1.00 0.00 O ATOM 83 CB PRO A 5 27.690 -0.244 -0.963 1.00 0.00 C ATOM 84 CG PRO A 5 27.379 1.214 -0.862 1.00 0.00 C ATOM 85 CD PRO A 5 27.422 1.780 -2.262 1.00 0.00 C ATOM 0 HA PRO A 5 27.856 -1.471 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 5 27.141 -0.816 -0.215 1.00 0.00 H new ATOM 0 HB3 PRO A 5 28.750 -0.433 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.397 1.367 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 5 28.103 1.718 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 5 26.550 2.400 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 5 28.301 2.406 -2.412 1.00 0.00 H new ATOM 93 N GLU A 6 25.469 -1.837 -3.471 1.00 0.00 N ATOM 94 CA GLU A 6 24.129 -2.394 -3.609 1.00 0.00 C ATOM 95 C GLU A 6 23.925 -3.551 -2.634 1.00 0.00 C ATOM 96 O GLU A 6 24.892 -4.169 -2.185 1.00 0.00 O ATOM 97 CB GLU A 6 23.896 -2.871 -5.045 1.00 0.00 C ATOM 98 CG GLU A 6 22.512 -2.535 -5.585 1.00 0.00 C ATOM 99 CD GLU A 6 22.402 -2.727 -7.084 1.00 0.00 C ATOM 100 OE1 GLU A 6 23.165 -2.078 -7.829 1.00 0.00 O ATOM 101 OE2 GLU A 6 21.552 -3.528 -7.528 1.00 0.00 O ATOM 0 H GLU A 6 26.090 -2.038 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 6 23.407 -1.611 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 6 24.648 -2.422 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 6 24.041 -3.950 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 6 21.772 -3.162 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 6 22.272 -1.501 -5.338 1.00 0.00 H new ATOM 108 N ALA A 7 22.668 -3.830 -2.307 1.00 0.00 N ATOM 109 CA ALA A 7 22.340 -4.905 -1.381 1.00 0.00 C ATOM 110 C ALA A 7 22.786 -6.256 -1.930 1.00 0.00 C ATOM 111 O ALA A 7 22.520 -6.588 -3.088 1.00 0.00 O ATOM 112 CB ALA A 7 20.850 -4.914 -1.093 1.00 0.00 C ATOM 0 H ALA A 7 21.859 -3.325 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 7 22.877 -4.727 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.618 -5.722 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.559 -3.961 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.301 -5.065 -2.022 1.00 0.00 H new ATOM 118 N PRO A 8 23.469 -7.055 -1.104 1.00 0.00 N ATOM 119 CA PRO A 8 24.002 -8.357 -1.511 1.00 0.00 C ATOM 120 C PRO A 8 22.967 -9.475 -1.410 1.00 0.00 C ATOM 121 O PRO A 8 23.209 -10.511 -0.789 1.00 0.00 O ATOM 122 CB PRO A 8 25.132 -8.574 -0.512 1.00 0.00 C ATOM 123 CG PRO A 8 24.656 -7.908 0.736 1.00 0.00 C ATOM 124 CD PRO A 8 23.783 -6.754 0.305 1.00 0.00 C ATOM 0 HA PRO A 8 24.315 -8.372 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 8 25.320 -9.635 -0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 8 26.065 -8.135 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 8 24.096 -8.606 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 8 25.498 -7.555 1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.879 -6.689 0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.303 -5.801 0.404 1.00 0.00 H new ATOM 132 N GLY A 9 21.811 -9.249 -2.011 1.00 0.00 N ATOM 133 CA GLY A 9 20.761 -10.232 -1.996 1.00 0.00 C ATOM 134 C GLY A 9 19.477 -9.604 -1.539 1.00 0.00 C ATOM 135 O GLY A 9 19.225 -8.437 -1.831 1.00 0.00 O ATOM 0 H GLY A 9 21.584 -8.391 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.634 -10.656 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.030 -11.054 -1.332 1.00 0.00 H new ATOM 139 N GLU A 10 18.670 -10.348 -0.816 1.00 0.00 N ATOM 140 CA GLU A 10 17.453 -9.787 -0.270 1.00 0.00 C ATOM 141 C GLU A 10 17.554 -9.701 1.244 1.00 0.00 C ATOM 142 O GLU A 10 17.222 -8.679 1.847 1.00 0.00 O ATOM 143 CB GLU A 10 16.238 -10.618 -0.688 1.00 0.00 C ATOM 144 CG GLU A 10 15.340 -9.907 -1.687 1.00 0.00 C ATOM 145 CD GLU A 10 14.790 -8.608 -1.141 1.00 0.00 C ATOM 146 OE1 GLU A 10 13.774 -8.646 -0.415 1.00 0.00 O ATOM 147 OE2 GLU A 10 15.368 -7.539 -1.432 1.00 0.00 O ATOM 0 H GLU A 10 18.830 -11.331 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 10 17.322 -8.781 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.581 -11.557 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.656 -10.870 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.902 -9.706 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.513 -10.563 -1.960 1.00 0.00 H new ATOM 154 N ASP A 11 18.018 -10.779 1.849 1.00 0.00 N ATOM 155 CA ASP A 11 18.271 -10.807 3.278 1.00 0.00 C ATOM 156 C ASP A 11 19.773 -10.909 3.526 1.00 0.00 C ATOM 157 O ASP A 11 20.289 -10.349 4.494 1.00 0.00 O ATOM 158 CB ASP A 11 17.501 -11.962 3.945 1.00 0.00 C ATOM 159 CG ASP A 11 18.307 -13.237 4.101 1.00 0.00 C ATOM 160 OD1 ASP A 11 18.600 -13.893 3.076 1.00 0.00 O ATOM 161 OD2 ASP A 11 18.617 -13.608 5.253 1.00 0.00 O ATOM 0 H ASP A 11 18.229 -11.654 1.368 1.00 0.00 H new ATOM 0 HA ASP A 11 17.911 -9.882 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.161 -11.637 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.610 -12.178 3.355 1.00 0.00 H new ATOM 166 N ALA A 12 20.459 -11.607 2.610 1.00 0.00 N ATOM 167 CA ALA A 12 21.922 -11.693 2.584 1.00 0.00 C ATOM 168 C ALA A 12 22.493 -12.506 3.746 1.00 0.00 C ATOM 169 O ALA A 12 22.062 -12.383 4.892 1.00 0.00 O ATOM 170 CB ALA A 12 22.542 -10.303 2.555 1.00 0.00 C ATOM 0 H ALA A 12 20.008 -12.132 1.861 1.00 0.00 H new ATOM 0 HA ALA A 12 22.184 -12.224 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 12 23.628 -10.390 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 12 22.205 -9.773 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 12 22.238 -9.750 3.444 1.00 0.00 H new ATOM 176 N SER A 13 23.469 -13.347 3.432 1.00 0.00 N ATOM 177 CA SER A 13 24.192 -14.101 4.441 1.00 0.00 C ATOM 178 C SER A 13 25.106 -13.163 5.235 1.00 0.00 C ATOM 179 O SER A 13 25.377 -12.042 4.791 1.00 0.00 O ATOM 180 CB SER A 13 25.010 -15.196 3.753 1.00 0.00 C ATOM 181 OG SER A 13 24.917 -15.076 2.342 1.00 0.00 O ATOM 0 H SER A 13 23.779 -13.524 2.476 1.00 0.00 H new ATOM 0 HA SER A 13 23.489 -14.562 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.053 -15.126 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 13 24.650 -16.177 4.065 1.00 0.00 H new ATOM 0 HG SER A 13 25.447 -15.783 1.918 1.00 0.00 H new ATOM 187 N PRO A 14 25.591 -13.590 6.417 1.00 0.00 N ATOM 188 CA PRO A 14 26.481 -12.776 7.255 1.00 0.00 C ATOM 189 C PRO A 14 27.660 -12.197 6.472 1.00 0.00 C ATOM 190 O PRO A 14 27.932 -11.003 6.541 1.00 0.00 O ATOM 191 CB PRO A 14 26.981 -13.755 8.328 1.00 0.00 C ATOM 192 CG PRO A 14 26.521 -15.109 7.892 1.00 0.00 C ATOM 193 CD PRO A 14 25.300 -14.882 7.051 1.00 0.00 C ATOM 0 HA PRO A 14 25.959 -11.911 7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 14 28.067 -13.720 8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.576 -13.501 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.297 -15.620 7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 14 26.291 -15.738 8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.161 -15.674 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.393 -14.844 7.654 1.00 0.00 H new ATOM 201 N GLU A 15 28.335 -13.049 5.712 1.00 0.00 N ATOM 202 CA GLU A 15 29.491 -12.637 4.913 1.00 0.00 C ATOM 203 C GLU A 15 29.060 -11.686 3.806 1.00 0.00 C ATOM 204 O GLU A 15 29.762 -10.740 3.481 1.00 0.00 O ATOM 205 CB GLU A 15 30.184 -13.868 4.318 1.00 0.00 C ATOM 206 CG GLU A 15 29.671 -15.182 4.886 1.00 0.00 C ATOM 207 CD GLU A 15 30.484 -16.381 4.442 1.00 0.00 C ATOM 208 OE1 GLU A 15 31.724 -16.347 4.571 1.00 0.00 O ATOM 209 OE2 GLU A 15 29.880 -17.368 3.974 1.00 0.00 O ATOM 0 H GLU A 15 28.102 -14.039 5.629 1.00 0.00 H new ATOM 0 HA GLU A 15 30.196 -12.115 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.043 -13.868 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 15 31.256 -13.796 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.680 -15.128 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.634 -15.322 4.582 1.00 0.00 H new ATOM 216 N GLU A 16 27.887 -11.929 3.253 1.00 0.00 N ATOM 217 CA GLU A 16 27.352 -11.102 2.184 1.00 0.00 C ATOM 218 C GLU A 16 27.077 -9.705 2.710 1.00 0.00 C ATOM 219 O GLU A 16 27.540 -8.709 2.145 1.00 0.00 O ATOM 220 CB GLU A 16 26.064 -11.718 1.625 1.00 0.00 C ATOM 221 CG GLU A 16 26.252 -12.518 0.343 1.00 0.00 C ATOM 222 CD GLU A 16 27.701 -12.840 0.054 1.00 0.00 C ATOM 223 OE1 GLU A 16 28.376 -12.025 -0.601 1.00 0.00 O ATOM 224 OE2 GLU A 16 28.179 -13.910 0.486 1.00 0.00 O ATOM 0 H GLU A 16 27.280 -12.701 3.529 1.00 0.00 H new ATOM 0 HA GLU A 16 28.085 -11.046 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.628 -12.368 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.346 -10.920 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.687 -13.447 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 16 25.837 -11.956 -0.494 1.00 0.00 H new ATOM 231 N LEU A 17 26.356 -9.642 3.821 1.00 0.00 N ATOM 232 CA LEU A 17 26.018 -8.371 4.424 1.00 0.00 C ATOM 233 C LEU A 17 27.274 -7.690 4.949 1.00 0.00 C ATOM 234 O LEU A 17 27.438 -6.490 4.783 1.00 0.00 O ATOM 235 CB LEU A 17 24.977 -8.559 5.544 1.00 0.00 C ATOM 236 CG LEU A 17 25.452 -8.245 6.968 1.00 0.00 C ATOM 237 CD1 LEU A 17 24.790 -6.975 7.482 1.00 0.00 C ATOM 238 CD2 LEU A 17 25.156 -9.412 7.898 1.00 0.00 C ATOM 0 H LEU A 17 25.997 -10.457 4.318 1.00 0.00 H new ATOM 0 HA LEU A 17 25.573 -7.729 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 17 24.117 -7.927 5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 17 24.629 -9.592 5.519 1.00 0.00 H new ATOM 0 HG LEU A 17 26.530 -8.087 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 25.138 -6.767 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 25.049 -6.140 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 23.708 -7.107 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 17 25.500 -9.172 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 17 24.082 -9.599 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 25.674 -10.302 7.541 1.00 0.00 H new ATOM 250 N ASN A 18 28.172 -8.466 5.546 1.00 0.00 N ATOM 251 CA ASN A 18 29.401 -7.917 6.113 1.00 0.00 C ATOM 252 C ASN A 18 30.333 -7.420 5.019 1.00 0.00 C ATOM 253 O ASN A 18 30.989 -6.387 5.174 1.00 0.00 O ATOM 254 CB ASN A 18 30.120 -8.960 6.969 1.00 0.00 C ATOM 255 CG ASN A 18 31.095 -8.333 7.942 1.00 0.00 C ATOM 256 OD1 ASN A 18 30.756 -7.392 8.659 1.00 0.00 O ATOM 257 ND2 ASN A 18 32.316 -8.841 7.969 1.00 0.00 N ATOM 0 H ASN A 18 28.073 -9.476 5.650 1.00 0.00 H new ATOM 0 HA ASN A 18 29.122 -7.074 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 18 29.383 -9.543 7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 18 30.654 -9.654 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.016 -8.452 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.557 -9.622 7.358 1.00 0.00 H new ATOM 264 N ARG A 19 30.386 -8.143 3.909 1.00 0.00 N ATOM 265 CA ARG A 19 31.259 -7.748 2.812 1.00 0.00 C ATOM 266 C ARG A 19 30.802 -6.418 2.211 1.00 0.00 C ATOM 267 O ARG A 19 31.602 -5.490 2.056 1.00 0.00 O ATOM 268 CB ARG A 19 31.306 -8.834 1.740 1.00 0.00 C ATOM 269 CG ARG A 19 32.616 -9.610 1.727 1.00 0.00 C ATOM 270 CD ARG A 19 32.562 -10.837 2.626 1.00 0.00 C ATOM 271 NE ARG A 19 32.733 -12.087 1.877 1.00 0.00 N ATOM 272 CZ ARG A 19 31.798 -12.632 1.099 1.00 0.00 C ATOM 273 NH1 ARG A 19 30.610 -12.049 0.973 1.00 0.00 N ATOM 274 NH2 ARG A 19 32.053 -13.766 0.459 1.00 0.00 N ATOM 0 H ARG A 19 29.845 -8.992 3.745 1.00 0.00 H new ATOM 0 HA ARG A 19 32.266 -7.617 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 19 30.482 -9.529 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.153 -8.377 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.844 -9.918 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 19 33.427 -8.958 2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.340 -10.762 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 19 31.606 -10.858 3.150 1.00 0.00 H new ATOM 0 HE ARG A 19 33.627 -12.571 1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 19 30.412 -11.182 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 19 29.897 -12.469 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 19 32.962 -14.217 0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.340 -14.186 -0.137 1.00 0.00 H new ATOM 288 N TYR A 20 29.511 -6.318 1.899 1.00 0.00 N ATOM 289 CA TYR A 20 28.952 -5.079 1.361 1.00 0.00 C ATOM 290 C TYR A 20 28.978 -3.982 2.424 1.00 0.00 C ATOM 291 O TYR A 20 29.104 -2.795 2.116 1.00 0.00 O ATOM 292 CB TYR A 20 27.526 -5.327 0.828 1.00 0.00 C ATOM 293 CG TYR A 20 26.419 -4.539 1.508 1.00 0.00 C ATOM 294 CD1 TYR A 20 25.909 -4.931 2.740 1.00 0.00 C ATOM 295 CD2 TYR A 20 25.869 -3.416 0.900 1.00 0.00 C ATOM 296 CE1 TYR A 20 24.890 -4.224 3.350 1.00 0.00 C ATOM 297 CE2 TYR A 20 24.848 -2.708 1.502 1.00 0.00 C ATOM 298 CZ TYR A 20 24.364 -3.114 2.726 1.00 0.00 C ATOM 299 OH TYR A 20 23.339 -2.414 3.321 1.00 0.00 O ATOM 0 H TYR A 20 28.836 -7.075 2.009 1.00 0.00 H new ATOM 0 HA TYR A 20 29.564 -4.741 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 20 27.511 -5.094 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 20 27.302 -6.389 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 20 26.316 -5.803 3.229 1.00 0.00 H new ATOM 0 HD2 TYR A 20 26.247 -3.092 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 20 24.508 -4.540 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 20 24.430 -1.839 1.015 1.00 0.00 H new ATOM 0 HH TYR A 20 23.085 -1.659 2.751 1.00 0.00 H new ATOM 309 N TYR A 21 28.883 -4.405 3.676 1.00 0.00 N ATOM 310 CA TYR A 21 28.926 -3.504 4.821 1.00 0.00 C ATOM 311 C TYR A 21 30.227 -2.728 4.861 1.00 0.00 C ATOM 312 O TYR A 21 30.236 -1.500 4.823 1.00 0.00 O ATOM 313 CB TYR A 21 28.794 -4.305 6.111 1.00 0.00 C ATOM 314 CG TYR A 21 28.043 -3.594 7.197 1.00 0.00 C ATOM 315 CD1 TYR A 21 26.659 -3.598 7.219 1.00 0.00 C ATOM 316 CD2 TYR A 21 28.720 -2.927 8.202 1.00 0.00 C ATOM 317 CE1 TYR A 21 25.965 -2.952 8.217 1.00 0.00 C ATOM 318 CE2 TYR A 21 28.038 -2.279 9.205 1.00 0.00 C ATOM 319 CZ TYR A 21 26.656 -2.293 9.213 1.00 0.00 C ATOM 320 OH TYR A 21 25.962 -1.648 10.219 1.00 0.00 O ATOM 0 H TYR A 21 28.773 -5.387 3.929 1.00 0.00 H new ATOM 0 HA TYR A 21 28.099 -2.801 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 21 28.291 -5.247 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 21 29.791 -4.554 6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 21 26.116 -4.115 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 21 29.800 -2.915 8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 21 24.885 -2.961 8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 21 28.580 -1.762 9.983 1.00 0.00 H new ATOM 0 HH TYR A 21 26.596 -1.235 10.841 1.00 0.00 H new ATOM 330 N ALA A 22 31.327 -3.458 4.945 1.00 0.00 N ATOM 331 CA ALA A 22 32.639 -2.844 5.054 1.00 0.00 C ATOM 332 C ALA A 22 33.051 -2.188 3.736 1.00 0.00 C ATOM 333 O ALA A 22 33.894 -1.294 3.720 1.00 0.00 O ATOM 334 CB ALA A 22 33.656 -3.873 5.513 1.00 0.00 C ATOM 0 H ALA A 22 31.337 -4.478 4.940 1.00 0.00 H new ATOM 0 HA ALA A 22 32.596 -2.052 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 22 34.637 -3.405 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 22 33.362 -4.266 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 22 33.700 -4.688 4.791 1.00 0.00 H new ATOM 340 N SER A 23 32.447 -2.621 2.634 1.00 0.00 N ATOM 341 CA SER A 23 32.630 -1.935 1.360 1.00 0.00 C ATOM 342 C SER A 23 31.982 -0.549 1.414 1.00 0.00 C ATOM 343 O SER A 23 32.501 0.407 0.850 1.00 0.00 O ATOM 344 CB SER A 23 32.041 -2.759 0.212 1.00 0.00 C ATOM 345 OG SER A 23 32.715 -4.001 0.086 1.00 0.00 O ATOM 0 H SER A 23 31.833 -3.435 2.597 1.00 0.00 H new ATOM 0 HA SER A 23 33.698 -1.817 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.980 -2.932 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 23 32.121 -2.201 -0.721 1.00 0.00 H new ATOM 0 HG SER A 23 32.383 -4.624 0.766 1.00 0.00 H new ATOM 351 N LEU A 24 30.862 -0.460 2.128 1.00 0.00 N ATOM 352 CA LEU A 24 30.172 0.797 2.366 1.00 0.00 C ATOM 353 C LEU A 24 30.986 1.631 3.333 1.00 0.00 C ATOM 354 O LEU A 24 31.031 2.849 3.230 1.00 0.00 O ATOM 355 CB LEU A 24 28.773 0.530 2.943 1.00 0.00 C ATOM 356 CG LEU A 24 28.052 1.750 3.510 1.00 0.00 C ATOM 357 CD1 LEU A 24 27.175 2.401 2.451 1.00 0.00 C ATOM 358 CD2 LEU A 24 27.229 1.357 4.725 1.00 0.00 C ATOM 0 H LEU A 24 30.408 -1.266 2.559 1.00 0.00 H new ATOM 0 HA LEU A 24 30.059 1.336 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 24 28.153 0.095 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 24 28.861 -0.217 3.732 1.00 0.00 H new ATOM 0 HG LEU A 24 28.800 2.480 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.671 3.268 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 27.793 2.718 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 26.431 1.684 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.720 2.236 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 24 26.490 0.609 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 24 27.885 0.944 5.491 1.00 0.00 H new ATOM 370 N ARG A 25 31.641 0.954 4.264 1.00 0.00 N ATOM 371 CA ARG A 25 32.513 1.612 5.221 1.00 0.00 C ATOM 372 C ARG A 25 33.684 2.264 4.503 1.00 0.00 C ATOM 373 O ARG A 25 34.031 3.404 4.785 1.00 0.00 O ATOM 374 CB ARG A 25 33.017 0.605 6.255 1.00 0.00 C ATOM 375 CG ARG A 25 31.925 0.081 7.167 1.00 0.00 C ATOM 376 CD ARG A 25 31.278 1.205 7.956 1.00 0.00 C ATOM 377 NE ARG A 25 32.166 1.697 9.009 1.00 0.00 N ATOM 378 CZ ARG A 25 31.948 1.531 10.313 1.00 0.00 C ATOM 379 NH1 ARG A 25 30.817 0.979 10.742 1.00 0.00 N ATOM 380 NH2 ARG A 25 32.853 1.949 11.186 1.00 0.00 N ATOM 0 H ARG A 25 31.583 -0.058 4.376 1.00 0.00 H new ATOM 0 HA ARG A 25 31.946 2.387 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 25 33.482 -0.234 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 25 33.792 1.075 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 25 31.168 -0.432 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 25 32.344 -0.654 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 25 31.021 2.023 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 25 30.347 0.852 8.399 1.00 0.00 H new ATOM 0 HE ARG A 25 33.007 2.200 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 25 30.109 0.679 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 25 30.657 0.855 11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 25 33.710 2.395 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 25 32.693 1.825 12.186 1.00 0.00 H new ATOM 394 N HIS A 26 34.278 1.537 3.561 1.00 0.00 N ATOM 395 CA HIS A 26 35.382 2.068 2.768 1.00 0.00 C ATOM 396 C HIS A 26 34.881 3.123 1.783 1.00 0.00 C ATOM 397 O HIS A 26 35.473 4.198 1.649 1.00 0.00 O ATOM 398 CB HIS A 26 36.087 0.941 2.009 1.00 0.00 C ATOM 399 CG HIS A 26 37.558 1.165 1.831 1.00 0.00 C ATOM 400 ND1 HIS A 26 38.405 0.221 1.297 1.00 0.00 N ATOM 401 CD2 HIS A 26 38.333 2.239 2.119 1.00 0.00 C ATOM 402 CE1 HIS A 26 39.632 0.700 1.264 1.00 0.00 C ATOM 403 NE2 HIS A 26 39.617 1.924 1.756 1.00 0.00 N ATOM 0 H HIS A 26 34.014 0.580 3.328 1.00 0.00 H new ATOM 0 HA HIS A 26 36.093 2.535 3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 26 35.933 0.003 2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 26 35.624 0.830 1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 26 38.001 3.170 2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 26 40.503 0.178 0.896 1.00 0.00 H new ATOM 0 HE2 HIS A 26 40.428 2.536 1.851 1.00 0.00 H new ATOM 412 N TYR A 27 33.786 2.801 1.104 1.00 0.00 N ATOM 413 CA TYR A 27 33.163 3.706 0.144 1.00 0.00 C ATOM 414 C TYR A 27 32.787 5.019 0.825 1.00 0.00 C ATOM 415 O TYR A 27 32.966 6.096 0.261 1.00 0.00 O ATOM 416 CB TYR A 27 31.936 3.013 -0.488 1.00 0.00 C ATOM 417 CG TYR A 27 30.750 3.906 -0.804 1.00 0.00 C ATOM 418 CD1 TYR A 27 29.799 4.203 0.167 1.00 0.00 C ATOM 419 CD2 TYR A 27 30.566 4.425 -2.081 1.00 0.00 C ATOM 420 CE1 TYR A 27 28.704 4.996 -0.121 1.00 0.00 C ATOM 421 CE2 TYR A 27 29.471 5.216 -2.377 1.00 0.00 C ATOM 422 CZ TYR A 27 28.545 5.498 -1.392 1.00 0.00 C ATOM 423 OH TYR A 27 27.452 6.283 -1.685 1.00 0.00 O ATOM 0 H TYR A 27 33.305 1.907 1.203 1.00 0.00 H new ATOM 0 HA TYR A 27 33.867 3.945 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 27 32.254 2.527 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 27 31.602 2.226 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 27 29.918 3.807 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 27 31.289 4.207 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 27 27.978 5.220 0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.341 5.611 -3.374 1.00 0.00 H new ATOM 0 HH TYR A 27 27.489 6.558 -2.625 1.00 0.00 H new ATOM 433 N LEU A 28 32.276 4.918 2.047 1.00 0.00 N ATOM 434 CA LEU A 28 31.940 6.106 2.827 1.00 0.00 C ATOM 435 C LEU A 28 33.192 6.789 3.369 1.00 0.00 C ATOM 436 O LEU A 28 33.240 8.013 3.470 1.00 0.00 O ATOM 437 CB LEU A 28 31.012 5.750 3.984 1.00 0.00 C ATOM 438 CG LEU A 28 29.571 6.223 3.822 1.00 0.00 C ATOM 439 CD1 LEU A 28 28.607 5.125 4.230 1.00 0.00 C ATOM 440 CD2 LEU A 28 29.332 7.482 4.641 1.00 0.00 C ATOM 0 H LEU A 28 32.086 4.033 2.517 1.00 0.00 H new ATOM 0 HA LEU A 28 31.429 6.798 2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 31.011 4.667 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 31.418 6.177 4.901 1.00 0.00 H new ATOM 0 HG LEU A 28 29.396 6.460 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 27.582 5.477 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 28.766 4.249 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 28 28.779 4.859 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 28.299 7.807 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 28 29.521 7.272 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 28 30.005 8.270 4.302 1.00 0.00 H new ATOM 452 N ASN A 29 34.201 5.989 3.701 1.00 0.00 N ATOM 453 CA ASN A 29 35.435 6.492 4.312 1.00 0.00 C ATOM 454 C ASN A 29 36.142 7.499 3.408 1.00 0.00 C ATOM 455 O ASN A 29 36.590 8.549 3.868 1.00 0.00 O ATOM 456 CB ASN A 29 36.375 5.325 4.653 1.00 0.00 C ATOM 457 CG ASN A 29 37.851 5.681 4.541 1.00 0.00 C ATOM 458 OD1 ASN A 29 38.474 5.469 3.500 1.00 0.00 O ATOM 459 ND2 ASN A 29 38.420 6.210 5.612 1.00 0.00 N ATOM 0 H ASN A 29 34.191 4.979 3.557 1.00 0.00 H new ATOM 0 HA ASN A 29 35.163 7.010 5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 29 36.167 4.986 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 29 36.160 4.489 3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 29 39.409 6.458 5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 29 37.869 6.370 6.456 1.00 0.00 H new ATOM 466 N LEU A 30 36.246 7.183 2.124 1.00 0.00 N ATOM 467 CA LEU A 30 36.909 8.081 1.187 1.00 0.00 C ATOM 468 C LEU A 30 35.953 9.177 0.724 1.00 0.00 C ATOM 469 O LEU A 30 36.377 10.207 0.201 1.00 0.00 O ATOM 470 CB LEU A 30 37.461 7.305 -0.016 1.00 0.00 C ATOM 471 CG LEU A 30 36.480 6.351 -0.699 1.00 0.00 C ATOM 472 CD1 LEU A 30 35.905 6.993 -1.952 1.00 0.00 C ATOM 473 CD2 LEU A 30 37.175 5.042 -1.044 1.00 0.00 C ATOM 0 H LEU A 30 35.885 6.323 1.711 1.00 0.00 H new ATOM 0 HA LEU A 30 37.747 8.550 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 30 37.815 8.023 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 38.328 6.731 0.312 1.00 0.00 H new ATOM 0 HG LEU A 30 35.661 6.140 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 30 35.208 6.303 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 30 35.380 7.910 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 30 36.713 7.227 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 30 36.467 4.371 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 30 38.009 5.239 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 30 37.548 4.577 -0.132 1.00 0.00 H new ATOM 485 N VAL A 31 34.664 8.958 0.944 1.00 0.00 N ATOM 486 CA VAL A 31 33.643 9.904 0.515 1.00 0.00 C ATOM 487 C VAL A 31 33.550 11.087 1.485 1.00 0.00 C ATOM 488 O VAL A 31 33.177 12.194 1.097 1.00 0.00 O ATOM 489 CB VAL A 31 32.267 9.196 0.360 1.00 0.00 C ATOM 490 CG1 VAL A 31 31.174 9.854 1.194 1.00 0.00 C ATOM 491 CG2 VAL A 31 31.862 9.154 -1.107 1.00 0.00 C ATOM 0 H VAL A 31 34.300 8.132 1.418 1.00 0.00 H new ATOM 0 HA VAL A 31 33.931 10.296 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 31 32.383 8.179 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 31 30.235 9.320 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 31 31.451 9.821 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 31 31.054 10.892 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 31 30.897 8.656 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 31 31.786 10.171 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 32.612 8.605 -1.676 1.00 0.00 H new ATOM 501 N THR A 32 33.920 10.851 2.741 1.00 0.00 N ATOM 502 CA THR A 32 33.856 11.893 3.760 1.00 0.00 C ATOM 503 C THR A 32 35.021 12.873 3.623 1.00 0.00 C ATOM 504 O THR A 32 35.010 13.960 4.207 1.00 0.00 O ATOM 505 CB THR A 32 33.859 11.297 5.182 1.00 0.00 C ATOM 506 OG1 THR A 32 34.105 9.887 5.126 1.00 0.00 O ATOM 507 CG2 THR A 32 32.531 11.555 5.879 1.00 0.00 C ATOM 0 H THR A 32 34.266 9.952 3.076 1.00 0.00 H new ATOM 0 HA THR A 32 32.918 12.426 3.604 1.00 0.00 H new ATOM 0 HB THR A 32 34.653 11.781 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 32 33.390 9.450 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 32 32.556 11.126 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 32 32.359 12.629 5.949 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.725 11.095 5.307 1.00 0.00 H new ATOM 515 N ARG A 33 36.020 12.497 2.837 1.00 0.00 N ATOM 516 CA ARG A 33 37.178 13.350 2.631 1.00 0.00 C ATOM 517 C ARG A 33 36.997 14.220 1.390 1.00 0.00 C ATOM 518 O ARG A 33 37.931 14.438 0.617 1.00 0.00 O ATOM 519 CB ARG A 33 38.457 12.516 2.531 1.00 0.00 C ATOM 520 CG ARG A 33 39.732 13.340 2.631 1.00 0.00 C ATOM 521 CD ARG A 33 40.556 12.983 3.858 1.00 0.00 C ATOM 522 NE ARG A 33 41.949 13.398 3.703 1.00 0.00 N ATOM 523 CZ ARG A 33 42.531 14.368 4.409 1.00 0.00 C ATOM 524 NH1 ARG A 33 41.874 14.983 5.384 1.00 0.00 N ATOM 525 NH2 ARG A 33 43.781 14.723 4.145 1.00 0.00 N ATOM 0 H ARG A 33 36.051 11.610 2.334 1.00 0.00 H new ATOM 0 HA ARG A 33 37.271 14.009 3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 33 38.455 11.767 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 33 38.456 11.977 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 33 40.333 13.185 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 39.476 14.399 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 33 40.128 13.462 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 33 40.512 11.907 4.028 1.00 0.00 H new ATOM 0 HE ARG A 33 42.515 12.912 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.914 14.715 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 33 42.329 15.724 5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 33 44.298 14.254 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 33 44.225 15.465 4.686 1.00 0.00 H new ATOM 539 N GLN A 34 35.786 14.720 1.197 1.00 0.00 N ATOM 540 CA GLN A 34 35.547 15.743 0.189 1.00 0.00 C ATOM 541 C GLN A 34 35.984 17.089 0.759 1.00 0.00 C ATOM 542 O GLN A 34 35.221 18.055 0.798 1.00 0.00 O ATOM 543 CB GLN A 34 34.071 15.777 -0.218 1.00 0.00 C ATOM 544 CG GLN A 34 33.849 16.173 -1.669 1.00 0.00 C ATOM 545 CD GLN A 34 32.385 16.401 -1.993 1.00 0.00 C ATOM 546 OE1 GLN A 34 31.619 15.452 -2.158 1.00 0.00 O ATOM 547 NE2 GLN A 34 31.984 17.659 -2.096 1.00 0.00 N ATOM 0 H GLN A 34 34.958 14.437 1.721 1.00 0.00 H new ATOM 0 HA GLN A 34 36.123 15.517 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 34 33.633 14.794 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 34 33.541 16.478 0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 34 34.411 17.082 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 34 34.244 15.393 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 34 32.648 18.419 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 34 31.011 17.867 -2.319 1.00 0.00 H new ATOM 556 N ARG A 35 37.225 17.122 1.212 1.00 0.00 N ATOM 557 CA ARG A 35 37.746 18.235 1.972 1.00 0.00 C ATOM 558 C ARG A 35 38.661 19.092 1.115 1.00 0.00 C ATOM 559 O ARG A 35 39.562 18.578 0.450 1.00 0.00 O ATOM 560 CB ARG A 35 38.498 17.703 3.193 1.00 0.00 C ATOM 561 CG ARG A 35 37.950 18.215 4.514 1.00 0.00 C ATOM 562 CD ARG A 35 37.663 17.075 5.482 1.00 0.00 C ATOM 563 NE ARG A 35 36.258 17.039 5.900 1.00 0.00 N ATOM 564 CZ ARG A 35 35.698 17.924 6.731 1.00 0.00 C ATOM 565 NH1 ARG A 35 36.419 18.917 7.243 1.00 0.00 N ATOM 566 NH2 ARG A 35 34.418 17.814 7.054 1.00 0.00 N ATOM 0 H ARG A 35 37.899 16.372 1.060 1.00 0.00 H new ATOM 0 HA ARG A 35 36.917 18.861 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 35 38.456 16.614 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.549 17.982 3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.666 18.903 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 35 37.035 18.780 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.924 16.127 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.299 17.179 6.361 1.00 0.00 H new ATOM 0 HE ARG A 35 35.670 16.291 5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 35 37.406 19.007 7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.985 19.588 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 35 33.858 17.053 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 35 33.992 18.490 7.688 1.00 0.00 H new ATOM 580 N TYR A 36 38.419 20.392 1.130 1.00 0.00 N ATOM 581 CA TYR A 36 39.225 21.330 0.364 1.00 0.00 C ATOM 582 C TYR A 36 40.093 22.161 1.299 1.00 0.00 C ATOM 583 O TYR A 36 39.538 22.804 2.219 1.00 0.00 O ATOM 584 CB TYR A 36 38.339 22.256 -0.479 1.00 0.00 C ATOM 585 CG TYR A 36 37.035 21.635 -0.934 1.00 0.00 C ATOM 586 CD1 TYR A 36 37.011 20.668 -1.932 1.00 0.00 C ATOM 587 CD2 TYR A 36 35.827 22.025 -0.374 1.00 0.00 C ATOM 588 CE1 TYR A 36 35.820 20.109 -2.353 1.00 0.00 C ATOM 589 CE2 TYR A 36 34.634 21.473 -0.791 1.00 0.00 C ATOM 590 CZ TYR A 36 34.637 20.517 -1.780 1.00 0.00 C ATOM 591 OH TYR A 36 33.450 19.974 -2.205 1.00 0.00 O ATOM 0 H TYR A 36 37.667 20.824 1.667 1.00 0.00 H new ATOM 0 HA TYR A 36 39.863 20.756 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 36 38.117 23.152 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 36 38.901 22.575 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 36 37.938 20.349 -2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 36 35.821 22.775 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 36 35.817 19.356 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 36 33.703 21.789 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 36 32.710 20.369 -1.698 1.00 0.00 H new HETATM 601 N NH2 A 37 41.400 22.159 1.102 1.00 0.00 N TER 604 NH2 A 37