USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 447 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 30 TYR OH : rot 100:sc= -2.2 USER MOD Set 1.2: A 42 ASN : amide:sc= -9.58! C(o=-12!,f=-25!) 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 -130:sc= -3.51! USER MOD Single : A 6 SER OG : rot 35:sc= 0.979 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.25) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.029 USER MOD Single : A 33 HIS : no HD1:sc= 0.664 K(o=0.66,f=-3!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.193 F(o=-0.76,f=-0.19) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 45:sc= 0.0218 USER MOD Single : A 39 GLN : amide:sc= 0.00461 X(o=0.0046,f=-0.3) USER MOD Single : A 40 TYR OH : rot 28:sc= 0.714 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.0051) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 26:sc= 0.46 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.236 -7.046 2.078 1.00 0.00 N ATOM 2 CA GLY A 1 19.496 -7.364 1.433 1.00 0.00 C ATOM 3 C GLY A 1 20.178 -6.139 0.858 1.00 0.00 C ATOM 4 O GLY A 1 20.281 -5.108 1.523 1.00 0.00 O ATOM 0 H1 GLY A 1 17.809 -7.917 2.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.404 -6.378 2.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.590 -6.616 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.160 -7.841 2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.320 -8.086 0.636 1.00 0.00 H new ATOM 8 N SER A 2 20.648 -6.251 -0.380 1.00 0.00 N ATOM 9 CA SER A 2 21.330 -5.145 -1.042 1.00 0.00 C ATOM 10 C SER A 2 20.344 -4.040 -1.407 1.00 0.00 C ATOM 11 O SER A 2 19.839 -3.989 -2.529 1.00 0.00 O ATOM 12 CB SER A 2 22.048 -5.640 -2.299 1.00 0.00 C ATOM 13 OG SER A 2 22.904 -4.640 -2.825 1.00 0.00 O ATOM 0 H SER A 2 20.569 -7.097 -0.945 1.00 0.00 H new ATOM 0 HA SER A 2 22.066 -4.737 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.628 -6.532 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.314 -5.927 -3.052 1.00 0.00 H new ATOM 0 HG SER A 2 23.352 -4.982 -3.627 1.00 0.00 H new ATOM 19 N SER A 3 20.075 -3.156 -0.452 1.00 0.00 N ATOM 20 CA SER A 3 19.146 -2.053 -0.670 1.00 0.00 C ATOM 21 C SER A 3 19.828 -0.907 -1.411 1.00 0.00 C ATOM 22 O SER A 3 20.856 -0.394 -0.972 1.00 0.00 O ATOM 23 CB SER A 3 18.592 -1.553 0.666 1.00 0.00 C ATOM 24 OG SER A 3 17.397 -0.814 0.477 1.00 0.00 O ATOM 0 H SER A 3 20.487 -3.182 0.481 1.00 0.00 H new ATOM 0 HA SER A 3 18.322 -2.420 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.399 -2.401 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.336 -0.928 1.161 1.00 0.00 H new ATOM 0 HG SER A 3 17.062 -0.507 1.345 1.00 0.00 H new ATOM 30 N GLY A 4 19.247 -0.511 -2.540 1.00 0.00 N ATOM 31 CA GLY A 4 19.812 0.570 -3.325 1.00 0.00 C ATOM 32 C GLY A 4 19.240 0.628 -4.728 1.00 0.00 C ATOM 33 O GLY A 4 19.925 0.309 -5.699 1.00 0.00 O ATOM 0 H GLY A 4 18.395 -0.920 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.625 1.518 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.894 0.447 -3.382 1.00 0.00 H new ATOM 37 N SER A 5 17.979 1.036 -4.835 1.00 0.00 N ATOM 38 CA SER A 5 17.313 1.130 -6.128 1.00 0.00 C ATOM 39 C SER A 5 17.184 2.585 -6.569 1.00 0.00 C ATOM 40 O SER A 5 17.302 3.503 -5.758 1.00 0.00 O ATOM 41 CB SER A 5 15.930 0.480 -6.062 1.00 0.00 C ATOM 42 OG SER A 5 15.175 0.997 -4.979 1.00 0.00 O ATOM 0 H SER A 5 17.399 1.307 -4.041 1.00 0.00 H new ATOM 0 HA SER A 5 17.921 0.600 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.398 0.655 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.037 -0.599 -5.953 1.00 0.00 H new ATOM 0 HG SER A 5 14.804 0.256 -4.456 1.00 0.00 H new ATOM 48 N SER A 6 16.940 2.786 -7.860 1.00 0.00 N ATOM 49 CA SER A 6 16.798 4.129 -8.410 1.00 0.00 C ATOM 50 C SER A 6 15.337 4.433 -8.730 1.00 0.00 C ATOM 51 O SER A 6 14.801 3.969 -9.735 1.00 0.00 O ATOM 52 CB SER A 6 17.650 4.279 -9.672 1.00 0.00 C ATOM 53 OG SER A 6 17.215 3.393 -10.689 1.00 0.00 O ATOM 0 H SER A 6 16.837 2.037 -8.544 1.00 0.00 H new ATOM 0 HA SER A 6 17.144 4.841 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.595 5.306 -10.032 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.695 4.080 -9.435 1.00 0.00 H new ATOM 0 HG SER A 6 16.241 3.297 -10.645 1.00 0.00 H new ATOM 59 N GLY A 7 14.699 5.217 -7.866 1.00 0.00 N ATOM 60 CA GLY A 7 13.307 5.570 -8.073 1.00 0.00 C ATOM 61 C GLY A 7 12.442 4.364 -8.382 1.00 0.00 C ATOM 62 O GLY A 7 12.159 4.075 -9.545 1.00 0.00 O ATOM 0 H GLY A 7 15.122 5.614 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.925 6.068 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.235 6.285 -8.893 1.00 0.00 H new ATOM 66 N LEU A 8 12.023 3.657 -7.339 1.00 0.00 N ATOM 67 CA LEU A 8 11.186 2.473 -7.504 1.00 0.00 C ATOM 68 C LEU A 8 9.735 2.778 -7.147 1.00 0.00 C ATOM 69 O LEU A 8 8.812 2.142 -7.658 1.00 0.00 O ATOM 70 CB LEU A 8 11.708 1.330 -6.632 1.00 0.00 C ATOM 71 CG LEU A 8 11.558 1.515 -5.122 1.00 0.00 C ATOM 72 CD1 LEU A 8 11.643 0.174 -4.409 1.00 0.00 C ATOM 73 CD2 LEU A 8 12.618 2.470 -4.593 1.00 0.00 C ATOM 0 H LEU A 8 12.249 3.882 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 8 11.228 2.172 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.190 0.415 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.764 1.182 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 8 10.577 1.947 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.534 0.325 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.847 -0.479 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.609 -0.287 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.495 2.589 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.609 2.067 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.510 3.439 -5.080 1.00 0.00 H new ATOM 85 N ASP A 9 9.540 3.755 -6.268 1.00 0.00 N ATOM 86 CA ASP A 9 8.200 4.147 -5.845 1.00 0.00 C ATOM 87 C ASP A 9 8.105 5.660 -5.676 1.00 0.00 C ATOM 88 O ASP A 9 9.118 6.344 -5.531 1.00 0.00 O ATOM 89 CB ASP A 9 7.833 3.451 -4.534 1.00 0.00 C ATOM 90 CG ASP A 9 7.586 1.966 -4.716 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.469 1.283 -5.274 1.00 0.00 O ATOM 92 OD2 ASP A 9 6.509 1.488 -4.301 1.00 0.00 O ATOM 0 H ASP A 9 10.292 4.290 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 9 7.496 3.841 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.636 3.597 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.940 3.916 -4.117 1.00 0.00 H new ATOM 97 N SER A 10 6.880 6.177 -5.697 1.00 0.00 N ATOM 98 CA SER A 10 6.653 7.610 -5.551 1.00 0.00 C ATOM 99 C SER A 10 5.206 7.893 -5.158 1.00 0.00 C ATOM 100 O SER A 10 4.372 6.988 -5.128 1.00 0.00 O ATOM 101 CB SER A 10 6.990 8.336 -6.854 1.00 0.00 C ATOM 102 OG SER A 10 5.991 8.115 -7.835 1.00 0.00 O ATOM 0 H SER A 10 6.030 5.625 -5.814 1.00 0.00 H new ATOM 0 HA SER A 10 7.305 7.978 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.087 9.405 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.954 7.990 -7.228 1.00 0.00 H new ATOM 0 HG SER A 10 6.229 8.591 -8.658 1.00 0.00 H new ATOM 108 N GLU A 11 4.917 9.155 -4.856 1.00 0.00 N ATOM 109 CA GLU A 11 3.572 9.557 -4.463 1.00 0.00 C ATOM 110 C GLU A 11 2.520 8.779 -5.249 1.00 0.00 C ATOM 111 O GLU A 11 1.599 8.200 -4.670 1.00 0.00 O ATOM 112 CB GLU A 11 3.380 11.059 -4.683 1.00 0.00 C ATOM 113 CG GLU A 11 3.829 11.536 -6.054 1.00 0.00 C ATOM 114 CD GLU A 11 4.000 13.041 -6.121 1.00 0.00 C ATOM 115 OE1 GLU A 11 5.068 13.535 -5.703 1.00 0.00 O ATOM 116 OE2 GLU A 11 3.066 13.725 -6.590 1.00 0.00 O ATOM 0 H GLU A 11 5.596 9.916 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 11 3.449 9.333 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.327 11.305 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.935 11.603 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.773 11.055 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.099 11.223 -6.800 1.00 0.00 H new ATOM 123 N LEU A 12 2.664 8.770 -6.569 1.00 0.00 N ATOM 124 CA LEU A 12 1.727 8.063 -7.436 1.00 0.00 C ATOM 125 C LEU A 12 0.320 8.638 -7.300 1.00 0.00 C ATOM 126 O LEU A 12 -0.660 7.897 -7.243 1.00 0.00 O ATOM 127 CB LEU A 12 1.715 6.571 -7.098 1.00 0.00 C ATOM 128 CG LEU A 12 2.956 5.780 -7.512 1.00 0.00 C ATOM 129 CD1 LEU A 12 3.179 4.607 -6.570 1.00 0.00 C ATOM 130 CD2 LEU A 12 2.826 5.296 -8.949 1.00 0.00 C ATOM 0 H LEU A 12 3.420 9.244 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 12 2.055 8.193 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.583 6.464 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.845 6.118 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 12 3.822 6.440 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.066 4.055 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.318 4.977 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.312 3.947 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.719 4.735 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.951 4.653 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.716 6.153 -9.613 1.00 0.00 H new ATOM 142 N GLU A 13 0.230 9.963 -7.250 1.00 0.00 N ATOM 143 CA GLU A 13 -1.057 10.637 -7.123 1.00 0.00 C ATOM 144 C GLU A 13 -1.726 10.285 -5.797 1.00 0.00 C ATOM 145 O GLU A 13 -2.878 9.851 -5.766 1.00 0.00 O ATOM 146 CB GLU A 13 -1.975 10.255 -8.287 1.00 0.00 C ATOM 147 CG GLU A 13 -1.842 11.171 -9.492 1.00 0.00 C ATOM 148 CD GLU A 13 -1.904 12.639 -9.119 1.00 0.00 C ATOM 149 OE1 GLU A 13 -3.024 13.187 -9.048 1.00 0.00 O ATOM 150 OE2 GLU A 13 -0.832 13.240 -8.897 1.00 0.00 O ATOM 0 H GLU A 13 1.032 10.591 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.880 11.712 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.754 9.232 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.009 10.269 -7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.897 10.968 -9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.637 10.947 -10.203 1.00 0.00 H new ATOM 157 N LEU A 14 -0.995 10.475 -4.704 1.00 0.00 N ATOM 158 CA LEU A 14 -1.516 10.178 -3.374 1.00 0.00 C ATOM 159 C LEU A 14 -2.882 10.826 -3.168 1.00 0.00 C ATOM 160 O LEU A 14 -3.208 11.850 -3.768 1.00 0.00 O ATOM 161 CB LEU A 14 -0.540 10.666 -2.302 1.00 0.00 C ATOM 162 CG LEU A 14 0.890 10.135 -2.405 1.00 0.00 C ATOM 163 CD1 LEU A 14 1.879 11.154 -1.860 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.022 8.812 -1.663 1.00 0.00 C ATOM 0 H LEU A 14 -0.040 10.833 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.630 9.097 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.506 11.755 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.938 10.393 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 14 1.119 9.964 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.891 10.758 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.803 12.078 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.652 11.357 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.046 8.448 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.774 8.958 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.341 8.081 -2.099 1.00 0.00 H new ATOM 176 N PRO A 15 -3.700 10.217 -2.296 1.00 0.00 N ATOM 177 CA PRO A 15 -5.042 10.718 -1.988 1.00 0.00 C ATOM 178 C PRO A 15 -5.007 12.020 -1.195 1.00 0.00 C ATOM 179 O PRO A 15 -4.982 13.107 -1.770 1.00 0.00 O ATOM 180 CB PRO A 15 -5.655 9.596 -1.146 1.00 0.00 C ATOM 181 CG PRO A 15 -4.488 8.899 -0.536 1.00 0.00 C ATOM 182 CD PRO A 15 -3.376 8.992 -1.545 1.00 0.00 C ATOM 0 HA PRO A 15 -5.607 10.950 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.322 9.994 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.245 8.916 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.201 9.368 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.727 7.859 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.401 9.062 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.349 8.117 -2.195 1.00 0.00 H new ATOM 190 N ALA A 16 -5.004 11.901 0.129 1.00 0.00 N ATOM 191 CA ALA A 16 -4.969 13.069 1.000 1.00 0.00 C ATOM 192 C ALA A 16 -4.189 12.778 2.278 1.00 0.00 C ATOM 193 O ALA A 16 -4.367 11.732 2.901 1.00 0.00 O ATOM 194 CB ALA A 16 -6.383 13.521 1.335 1.00 0.00 C ATOM 0 H ALA A 16 -5.025 11.008 0.621 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.459 13.872 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.341 14.394 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.910 13.778 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.912 12.715 1.843 1.00 0.00 H new ATOM 200 N GLY A 17 -3.321 13.710 2.662 1.00 0.00 N ATOM 201 CA GLY A 17 -2.526 13.533 3.863 1.00 0.00 C ATOM 202 C GLY A 17 -1.273 12.717 3.614 1.00 0.00 C ATOM 203 O GLY A 17 -0.804 12.003 4.500 1.00 0.00 O ATOM 0 H GLY A 17 -3.155 14.584 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.247 14.510 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.130 13.042 4.626 1.00 0.00 H new ATOM 207 N TRP A 18 -0.731 12.823 2.407 1.00 0.00 N ATOM 208 CA TRP A 18 0.475 12.087 2.043 1.00 0.00 C ATOM 209 C TRP A 18 1.571 13.037 1.574 1.00 0.00 C ATOM 210 O TRP A 18 1.308 13.988 0.840 1.00 0.00 O ATOM 211 CB TRP A 18 0.164 11.067 0.947 1.00 0.00 C ATOM 212 CG TRP A 18 -0.725 9.952 1.408 1.00 0.00 C ATOM 213 CD1 TRP A 18 -2.080 9.870 1.261 1.00 0.00 C ATOM 214 CD2 TRP A 18 -0.321 8.761 2.093 1.00 0.00 C ATOM 215 NE1 TRP A 18 -2.543 8.700 1.813 1.00 0.00 N ATOM 216 CE2 TRP A 18 -1.484 8.002 2.329 1.00 0.00 C ATOM 217 CE3 TRP A 18 0.909 8.262 2.528 1.00 0.00 C ATOM 218 CZ2 TRP A 18 -1.449 6.772 2.982 1.00 0.00 C ATOM 219 CZ3 TRP A 18 0.942 7.042 3.175 1.00 0.00 C ATOM 220 CH2 TRP A 18 -0.231 6.307 3.397 1.00 0.00 C ATOM 0 H TRP A 18 -1.107 13.411 1.663 1.00 0.00 H new ATOM 0 HA TRP A 18 0.830 11.560 2.929 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.311 11.578 0.109 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.099 10.647 0.576 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.697 10.615 0.781 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.518 8.400 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.818 8.820 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.352 6.205 3.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.888 6.648 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.172 5.356 3.905 1.00 0.00 H new ATOM 231 N GLU A 19 2.801 12.773 2.004 1.00 0.00 N ATOM 232 CA GLU A 19 3.937 13.606 1.627 1.00 0.00 C ATOM 233 C GLU A 19 5.179 12.755 1.381 1.00 0.00 C ATOM 234 O GLU A 19 5.677 12.085 2.286 1.00 0.00 O ATOM 235 CB GLU A 19 4.223 14.640 2.718 1.00 0.00 C ATOM 236 CG GLU A 19 4.966 15.866 2.215 1.00 0.00 C ATOM 237 CD GLU A 19 4.766 17.077 3.106 1.00 0.00 C ATOM 238 OE1 GLU A 19 3.600 17.460 3.334 1.00 0.00 O ATOM 239 OE2 GLU A 19 5.777 17.640 3.576 1.00 0.00 O ATOM 0 H GLU A 19 3.036 11.989 2.613 1.00 0.00 H new ATOM 0 HA GLU A 19 3.683 14.124 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.280 14.955 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.808 14.170 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.030 15.640 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.628 16.102 1.206 1.00 0.00 H new ATOM 246 N LYS A 20 5.673 12.784 0.148 1.00 0.00 N ATOM 247 CA LYS A 20 6.857 12.016 -0.221 1.00 0.00 C ATOM 248 C LYS A 20 8.124 12.684 0.304 1.00 0.00 C ATOM 249 O LYS A 20 8.522 13.745 -0.176 1.00 0.00 O ATOM 250 CB LYS A 20 6.940 11.866 -1.742 1.00 0.00 C ATOM 251 CG LYS A 20 8.148 11.075 -2.210 1.00 0.00 C ATOM 252 CD LYS A 20 8.065 10.755 -3.693 1.00 0.00 C ATOM 253 CE LYS A 20 9.416 10.328 -4.248 1.00 0.00 C ATOM 254 NZ LYS A 20 9.485 10.492 -5.726 1.00 0.00 N ATOM 0 H LYS A 20 5.272 13.331 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 20 6.774 11.028 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.035 11.376 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.967 12.857 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.056 11.644 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.220 10.148 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.337 9.960 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.708 11.630 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.204 10.918 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.602 9.286 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.669 9.569 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.582 10.870 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.253 11.151 -5.967 1.00 0.00 H new ATOM 268 N ILE A 21 8.753 12.055 1.291 1.00 0.00 N ATOM 269 CA ILE A 21 9.976 12.587 1.879 1.00 0.00 C ATOM 270 C ILE A 21 11.190 11.763 1.463 1.00 0.00 C ATOM 271 O ILE A 21 11.286 10.578 1.780 1.00 0.00 O ATOM 272 CB ILE A 21 9.894 12.619 3.416 1.00 0.00 C ATOM 273 CG1 ILE A 21 8.989 13.763 3.877 1.00 0.00 C ATOM 274 CG2 ILE A 21 11.284 12.762 4.018 1.00 0.00 C ATOM 275 CD1 ILE A 21 7.518 13.506 3.632 1.00 0.00 C ATOM 0 H ILE A 21 8.436 11.176 1.700 1.00 0.00 H new ATOM 0 HA ILE A 21 10.087 13.606 1.508 1.00 0.00 H new ATOM 0 HB ILE A 21 9.464 11.679 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.147 13.934 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.281 14.677 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.209 12.783 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.901 11.917 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.739 13.689 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.936 14.358 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.346 13.364 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.210 12.610 4.171 1.00 0.00 H new ATOM 287 N GLU A 22 12.115 12.400 0.752 1.00 0.00 N ATOM 288 CA GLU A 22 13.323 11.726 0.293 1.00 0.00 C ATOM 289 C GLU A 22 14.495 12.014 1.227 1.00 0.00 C ATOM 290 O GLU A 22 14.898 13.165 1.398 1.00 0.00 O ATOM 291 CB GLU A 22 13.671 12.166 -1.130 1.00 0.00 C ATOM 292 CG GLU A 22 12.489 12.131 -2.084 1.00 0.00 C ATOM 293 CD GLU A 22 11.729 13.443 -2.120 1.00 0.00 C ATOM 294 OE1 GLU A 22 12.376 14.507 -2.032 1.00 0.00 O ATOM 295 OE2 GLU A 22 10.486 13.404 -2.235 1.00 0.00 O ATOM 0 H GLU A 22 12.051 13.381 0.482 1.00 0.00 H new ATOM 0 HA GLU A 22 13.132 10.653 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.073 13.179 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.460 11.521 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.843 11.893 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.811 11.331 -1.787 1.00 0.00 H new ATOM 302 N ASP A 23 15.037 10.961 1.829 1.00 0.00 N ATOM 303 CA ASP A 23 16.162 11.100 2.746 1.00 0.00 C ATOM 304 C ASP A 23 17.358 10.283 2.266 1.00 0.00 C ATOM 305 O ASP A 23 17.213 9.207 1.686 1.00 0.00 O ATOM 306 CB ASP A 23 15.759 10.658 4.154 1.00 0.00 C ATOM 307 CG ASP A 23 15.212 11.802 4.985 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.740 12.794 4.391 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.258 11.707 6.230 1.00 0.00 O ATOM 0 H ASP A 23 14.715 10.002 1.698 1.00 0.00 H new ATOM 0 HA ASP A 23 16.449 12.151 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.007 9.872 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.624 10.228 4.658 1.00 0.00 H new ATOM 314 N PRO A 24 18.569 10.805 2.512 1.00 0.00 N ATOM 315 CA PRO A 24 19.813 10.141 2.112 1.00 0.00 C ATOM 316 C PRO A 24 20.084 8.880 2.926 1.00 0.00 C ATOM 317 O PRO A 24 20.653 7.912 2.420 1.00 0.00 O ATOM 318 CB PRO A 24 20.885 11.197 2.391 1.00 0.00 C ATOM 319 CG PRO A 24 20.298 12.060 3.455 1.00 0.00 C ATOM 320 CD PRO A 24 18.817 12.084 3.198 1.00 0.00 C ATOM 0 HA PRO A 24 19.782 9.809 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 24 21.816 10.738 2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 24 21.115 11.774 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.516 11.661 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.717 13.066 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 24 18.249 12.159 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 24 18.530 12.934 2.579 1.00 0.00 H new ATOM 328 N VAL A 25 19.671 8.896 4.190 1.00 0.00 N ATOM 329 CA VAL A 25 19.868 7.753 5.073 1.00 0.00 C ATOM 330 C VAL A 25 18.574 6.968 5.252 1.00 0.00 C ATOM 331 O VAL A 25 18.564 5.740 5.169 1.00 0.00 O ATOM 332 CB VAL A 25 20.384 8.195 6.456 1.00 0.00 C ATOM 333 CG1 VAL A 25 20.667 6.984 7.332 1.00 0.00 C ATOM 334 CG2 VAL A 25 21.626 9.060 6.309 1.00 0.00 C ATOM 0 H VAL A 25 19.198 9.688 4.625 1.00 0.00 H new ATOM 0 HA VAL A 25 20.615 7.114 4.602 1.00 0.00 H new ATOM 0 HB VAL A 25 19.610 8.791 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 25 21.031 7.316 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.751 6.408 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.423 6.359 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 25 21.977 9.363 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 25 22.408 8.492 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.385 9.946 5.721 1.00 0.00 H new ATOM 344 N TYR A 26 17.483 7.685 5.498 1.00 0.00 N ATOM 345 CA TYR A 26 16.182 7.055 5.691 1.00 0.00 C ATOM 346 C TYR A 26 15.582 6.624 4.357 1.00 0.00 C ATOM 347 O TYR A 26 14.852 5.637 4.281 1.00 0.00 O ATOM 348 CB TYR A 26 15.229 8.015 6.406 1.00 0.00 C ATOM 349 CG TYR A 26 15.715 8.448 7.770 1.00 0.00 C ATOM 350 CD1 TYR A 26 16.726 9.391 7.902 1.00 0.00 C ATOM 351 CD2 TYR A 26 15.162 7.914 8.928 1.00 0.00 C ATOM 352 CE1 TYR A 26 17.174 9.789 9.147 1.00 0.00 C ATOM 353 CE2 TYR A 26 15.603 8.307 10.177 1.00 0.00 C ATOM 354 CZ TYR A 26 16.610 9.244 10.281 1.00 0.00 C ATOM 355 OH TYR A 26 17.052 9.639 11.523 1.00 0.00 O ATOM 0 H TYR A 26 17.474 8.703 5.568 1.00 0.00 H new ATOM 0 HA TYR A 26 16.324 6.168 6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 26 15.083 8.898 5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.256 7.536 6.512 1.00 0.00 H new ATOM 0 HD1 TYR A 26 17.170 9.821 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.374 7.179 8.850 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.962 10.523 9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.162 7.883 11.067 1.00 0.00 H new ATOM 0 HH TYR A 26 16.551 9.161 12.216 1.00 0.00 H new ATOM 365 N GLY A 27 15.897 7.373 3.304 1.00 0.00 N ATOM 366 CA GLY A 27 15.381 7.054 1.985 1.00 0.00 C ATOM 367 C GLY A 27 14.063 7.744 1.695 1.00 0.00 C ATOM 368 O GLY A 27 13.651 8.642 2.429 1.00 0.00 O ATOM 0 H GLY A 27 16.500 8.195 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.113 7.345 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.249 5.975 1.901 1.00 0.00 H new ATOM 372 N ILE A 28 13.402 7.325 0.621 1.00 0.00 N ATOM 373 CA ILE A 28 12.124 7.909 0.236 1.00 0.00 C ATOM 374 C ILE A 28 10.965 7.207 0.935 1.00 0.00 C ATOM 375 O ILE A 28 10.734 6.015 0.731 1.00 0.00 O ATOM 376 CB ILE A 28 11.909 7.838 -1.287 1.00 0.00 C ATOM 377 CG1 ILE A 28 13.034 8.573 -2.018 1.00 0.00 C ATOM 378 CG2 ILE A 28 10.556 8.427 -1.659 1.00 0.00 C ATOM 379 CD1 ILE A 28 12.946 8.468 -3.525 1.00 0.00 C ATOM 0 H ILE A 28 13.731 6.583 0.003 1.00 0.00 H new ATOM 0 HA ILE A 28 12.150 8.955 0.543 1.00 0.00 H new ATOM 0 HB ILE A 28 11.925 6.792 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.014 9.625 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.993 8.172 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.419 8.370 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.765 7.865 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.514 9.469 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.775 9.012 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.996 7.420 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.003 8.896 -3.865 1.00 0.00 H new ATOM 391 N TYR A 29 10.238 7.954 1.758 1.00 0.00 N ATOM 392 CA TYR A 29 9.102 7.403 2.488 1.00 0.00 C ATOM 393 C TYR A 29 7.968 8.419 2.579 1.00 0.00 C ATOM 394 O TYR A 29 8.202 9.627 2.612 1.00 0.00 O ATOM 395 CB TYR A 29 9.531 6.975 3.893 1.00 0.00 C ATOM 396 CG TYR A 29 10.046 8.114 4.743 1.00 0.00 C ATOM 397 CD1 TYR A 29 9.184 8.855 5.542 1.00 0.00 C ATOM 398 CD2 TYR A 29 11.394 8.449 4.748 1.00 0.00 C ATOM 399 CE1 TYR A 29 9.650 9.898 6.319 1.00 0.00 C ATOM 400 CE2 TYR A 29 11.869 9.489 5.523 1.00 0.00 C ATOM 401 CZ TYR A 29 10.993 10.211 6.306 1.00 0.00 C ATOM 402 OH TYR A 29 11.461 11.248 7.081 1.00 0.00 O ATOM 0 H TYR A 29 10.415 8.943 1.937 1.00 0.00 H new ATOM 0 HA TYR A 29 8.741 6.531 1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.683 6.511 4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.308 6.215 3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.132 8.612 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.083 7.886 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.966 10.465 6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.921 9.735 5.516 1.00 0.00 H new ATOM 0 HH TYR A 29 12.429 11.337 6.958 1.00 0.00 H new ATOM 412 N TYR A 30 6.737 7.920 2.619 1.00 0.00 N ATOM 413 CA TYR A 30 5.565 8.783 2.704 1.00 0.00 C ATOM 414 C TYR A 30 5.114 8.948 4.152 1.00 0.00 C ATOM 415 O TYR A 30 4.966 7.970 4.885 1.00 0.00 O ATOM 416 CB TYR A 30 4.422 8.209 1.865 1.00 0.00 C ATOM 417 CG TYR A 30 4.867 7.664 0.527 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.322 8.512 -0.475 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.834 6.300 0.265 1.00 0.00 C ATOM 420 CE1 TYR A 30 5.730 8.019 -1.699 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.241 5.797 -0.956 1.00 0.00 C ATOM 422 CZ TYR A 30 5.687 6.660 -1.935 1.00 0.00 C ATOM 423 OH TYR A 30 6.093 6.164 -3.152 1.00 0.00 O ATOM 0 H TYR A 30 6.525 6.923 2.594 1.00 0.00 H new ATOM 0 HA TYR A 30 5.838 9.763 2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.934 7.413 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.677 8.987 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.357 9.576 -0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.484 5.621 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.081 8.693 -2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.210 4.734 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 30 7.006 5.816 -3.075 1.00 0.00 H new ATOM 433 N VAL A 31 4.897 10.195 4.559 1.00 0.00 N ATOM 434 CA VAL A 31 4.461 10.491 5.918 1.00 0.00 C ATOM 435 C VAL A 31 2.990 10.888 5.949 1.00 0.00 C ATOM 436 O VAL A 31 2.527 11.662 5.112 1.00 0.00 O ATOM 437 CB VAL A 31 5.300 11.623 6.542 1.00 0.00 C ATOM 438 CG1 VAL A 31 4.819 12.979 6.049 1.00 0.00 C ATOM 439 CG2 VAL A 31 5.247 11.549 8.061 1.00 0.00 C ATOM 0 H VAL A 31 5.016 11.016 3.966 1.00 0.00 H new ATOM 0 HA VAL A 31 4.601 9.581 6.501 1.00 0.00 H new ATOM 0 HB VAL A 31 6.337 11.498 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.423 13.766 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.914 13.026 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.775 13.118 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.845 12.356 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.214 11.649 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.644 10.590 8.393 1.00 0.00 H new ATOM 449 N ASP A 32 2.259 10.353 6.921 1.00 0.00 N ATOM 450 CA ASP A 32 0.839 10.652 7.064 1.00 0.00 C ATOM 451 C ASP A 32 0.614 11.733 8.116 1.00 0.00 C ATOM 452 O ASP A 32 0.886 11.529 9.300 1.00 0.00 O ATOM 453 CB ASP A 32 0.065 9.388 7.440 1.00 0.00 C ATOM 454 CG ASP A 32 0.442 8.199 6.578 1.00 0.00 C ATOM 455 OD1 ASP A 32 0.109 8.210 5.374 1.00 0.00 O ATOM 456 OD2 ASP A 32 1.072 7.259 7.106 1.00 0.00 O ATOM 0 H ASP A 32 2.627 9.710 7.622 1.00 0.00 H new ATOM 0 HA ASP A 32 0.473 11.021 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.253 9.148 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.004 9.578 7.344 1.00 0.00 H new ATOM 461 N HIS A 33 0.117 12.885 7.677 1.00 0.00 N ATOM 462 CA HIS A 33 -0.144 14.000 8.581 1.00 0.00 C ATOM 463 C HIS A 33 -1.449 13.788 9.342 1.00 0.00 C ATOM 464 O HIS A 33 -1.824 14.599 10.189 1.00 0.00 O ATOM 465 CB HIS A 33 -0.202 15.314 7.801 1.00 0.00 C ATOM 466 CG HIS A 33 1.081 15.657 7.109 1.00 0.00 C ATOM 467 ND1 HIS A 33 2.295 15.711 7.759 1.00 0.00 N ATOM 468 CD2 HIS A 33 1.334 15.962 5.815 1.00 0.00 C ATOM 469 CE1 HIS A 33 3.240 16.037 6.895 1.00 0.00 C ATOM 470 NE2 HIS A 33 2.683 16.194 5.708 1.00 0.00 N ATOM 0 H HIS A 33 -0.113 13.071 6.701 1.00 0.00 H new ATOM 0 HA HIS A 33 0.672 14.050 9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.999 15.252 7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.464 16.122 8.485 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.610 16.013 5.015 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.289 16.155 7.121 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.175 16.447 4.851 1.00 0.00 H new ATOM 478 N ILE A 34 -2.137 12.693 9.034 1.00 0.00 N ATOM 479 CA ILE A 34 -3.400 12.375 9.689 1.00 0.00 C ATOM 480 C ILE A 34 -3.293 11.081 10.489 1.00 0.00 C ATOM 481 O ILE A 34 -3.578 11.054 11.686 1.00 0.00 O ATOM 482 CB ILE A 34 -4.545 12.242 8.669 1.00 0.00 C ATOM 483 CG1 ILE A 34 -4.667 13.520 7.837 1.00 0.00 C ATOM 484 CG2 ILE A 34 -5.856 11.941 9.381 1.00 0.00 C ATOM 485 CD1 ILE A 34 -3.445 13.811 6.994 1.00 0.00 C ATOM 0 H ILE A 34 -1.841 12.012 8.335 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.622 13.200 10.365 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.319 11.413 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.537 13.438 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.847 14.363 8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.656 11.850 8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.763 11.007 9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.089 12.751 10.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.602 14.731 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.575 13.925 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.276 12.986 6.301 1.00 0.00 H new ATOM 497 N ASN A 35 -2.880 10.010 9.820 1.00 0.00 N ATOM 498 CA ASN A 35 -2.734 8.712 10.468 1.00 0.00 C ATOM 499 C ASN A 35 -1.579 8.729 11.465 1.00 0.00 C ATOM 500 O ASN A 35 -1.478 7.857 12.328 1.00 0.00 O ATOM 501 CB ASN A 35 -2.505 7.619 9.423 1.00 0.00 C ATOM 502 CG ASN A 35 -3.805 7.069 8.868 1.00 0.00 C ATOM 503 OD1 ASN A 35 -4.751 7.957 8.588 1.00 0.00 O flip ATOM 504 ND2 ASN A 35 -3.955 5.860 8.692 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.640 10.015 8.829 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.655 8.499 11.010 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.905 8.021 8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.931 6.807 9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.200 5.214 8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.834 5.505 8.317 1.00 0.00 H new ATOM 511 N ARG A 36 -0.710 9.727 11.339 1.00 0.00 N ATOM 512 CA ARG A 36 0.438 9.856 12.227 1.00 0.00 C ATOM 513 C ARG A 36 1.324 8.616 12.156 1.00 0.00 C ATOM 514 O ARG A 36 1.637 8.003 13.177 1.00 0.00 O ATOM 515 CB ARG A 36 -0.027 10.082 13.667 1.00 0.00 C ATOM 516 CG ARG A 36 -1.109 11.141 13.799 1.00 0.00 C ATOM 517 CD ARG A 36 -2.001 10.878 15.002 1.00 0.00 C ATOM 518 NE ARG A 36 -1.388 11.332 16.247 1.00 0.00 N ATOM 519 CZ ARG A 36 -1.990 11.266 17.430 1.00 0.00 C ATOM 520 NH1 ARG A 36 -3.215 10.767 17.527 1.00 0.00 N ATOM 521 NH2 ARG A 36 -1.367 11.700 18.518 1.00 0.00 N ATOM 0 H ARG A 36 -0.780 10.458 10.631 1.00 0.00 H new ATOM 0 HA ARG A 36 1.022 10.717 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.400 9.141 14.071 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.830 10.372 14.275 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.648 12.124 13.894 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.714 11.159 12.893 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.956 11.384 14.863 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.213 9.811 15.070 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.446 11.721 16.207 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.697 10.433 16.693 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.675 10.717 18.436 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.425 12.085 18.447 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.830 11.649 19.425 1.00 0.00 H new ATOM 535 N LYS A 37 1.725 8.251 10.943 1.00 0.00 N ATOM 536 CA LYS A 37 2.575 7.085 10.736 1.00 0.00 C ATOM 537 C LYS A 37 3.396 7.229 9.458 1.00 0.00 C ATOM 538 O LYS A 37 3.095 8.064 8.605 1.00 0.00 O ATOM 539 CB LYS A 37 1.726 5.814 10.669 1.00 0.00 C ATOM 540 CG LYS A 37 0.330 6.044 10.114 1.00 0.00 C ATOM 541 CD LYS A 37 -0.597 4.884 10.437 1.00 0.00 C ATOM 542 CE LYS A 37 -1.220 5.036 11.816 1.00 0.00 C ATOM 543 NZ LYS A 37 -1.598 3.721 12.402 1.00 0.00 N ATOM 0 H LYS A 37 1.474 8.747 10.088 1.00 0.00 H new ATOM 0 HA LYS A 37 3.260 7.012 11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.238 5.078 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.645 5.388 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.080 6.965 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.384 6.177 9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.384 4.826 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.041 3.948 10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.517 5.540 12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.104 5.670 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.019 3.868 13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.289 3.251 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.751 3.124 12.492 1.00 0.00 H new ATOM 557 N THR A 38 4.434 6.408 9.331 1.00 0.00 N ATOM 558 CA THR A 38 5.297 6.444 8.158 1.00 0.00 C ATOM 559 C THR A 38 5.754 5.043 7.768 1.00 0.00 C ATOM 560 O THR A 38 6.437 4.367 8.537 1.00 0.00 O ATOM 561 CB THR A 38 6.536 7.327 8.398 1.00 0.00 C ATOM 562 OG1 THR A 38 7.052 7.098 9.714 1.00 0.00 O ATOM 563 CG2 THR A 38 6.192 8.799 8.232 1.00 0.00 C ATOM 0 H THR A 38 4.697 5.710 10.027 1.00 0.00 H new ATOM 0 HA THR A 38 4.708 6.871 7.346 1.00 0.00 H new ATOM 0 HB THR A 38 7.293 7.062 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.072 6.135 9.894 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.083 9.403 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.826 8.975 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.420 9.075 8.950 1.00 0.00 H new ATOM 571 N GLN A 39 5.373 4.613 6.569 1.00 0.00 N ATOM 572 CA GLN A 39 5.744 3.291 6.078 1.00 0.00 C ATOM 573 C GLN A 39 6.313 3.375 4.666 1.00 0.00 C ATOM 574 O GLN A 39 6.135 4.377 3.972 1.00 0.00 O ATOM 575 CB GLN A 39 4.532 2.358 6.098 1.00 0.00 C ATOM 576 CG GLN A 39 3.374 2.846 5.243 1.00 0.00 C ATOM 577 CD GLN A 39 2.203 1.883 5.242 1.00 0.00 C ATOM 578 OE1 GLN A 39 1.868 1.294 6.270 1.00 0.00 O ATOM 579 NE2 GLN A 39 1.573 1.719 4.084 1.00 0.00 N ATOM 0 H GLN A 39 4.808 5.161 5.920 1.00 0.00 H new ATOM 0 HA GLN A 39 6.514 2.889 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.838 1.371 5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.190 2.242 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.041 3.817 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.720 2.993 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.885 2.228 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.777 1.084 4.022 1.00 0.00 H new ATOM 588 N TYR A 40 6.998 2.317 4.245 1.00 0.00 N ATOM 589 CA TYR A 40 7.595 2.273 2.916 1.00 0.00 C ATOM 590 C TYR A 40 6.532 2.032 1.849 1.00 0.00 C ATOM 591 O TYR A 40 6.339 2.854 0.954 1.00 0.00 O ATOM 592 CB TYR A 40 8.659 1.175 2.849 1.00 0.00 C ATOM 593 CG TYR A 40 10.048 1.656 3.202 1.00 0.00 C ATOM 594 CD1 TYR A 40 10.546 2.845 2.683 1.00 0.00 C ATOM 595 CD2 TYR A 40 10.863 0.922 4.056 1.00 0.00 C ATOM 596 CE1 TYR A 40 11.815 3.288 3.003 1.00 0.00 C ATOM 597 CE2 TYR A 40 12.133 1.358 4.382 1.00 0.00 C ATOM 598 CZ TYR A 40 12.604 2.541 3.852 1.00 0.00 C ATOM 599 OH TYR A 40 13.869 2.979 4.174 1.00 0.00 O ATOM 0 H TYR A 40 7.153 1.479 4.805 1.00 0.00 H new ATOM 0 HA TYR A 40 8.064 3.238 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.380 0.368 3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.674 0.756 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.931 3.433 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.497 -0.005 4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.187 4.214 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.753 0.776 5.048 1.00 0.00 H new ATOM 0 HH TYR A 40 13.900 3.957 4.120 1.00 0.00 H new ATOM 609 N GLU A 41 5.846 0.898 1.951 1.00 0.00 N ATOM 610 CA GLU A 41 4.802 0.549 0.995 1.00 0.00 C ATOM 611 C GLU A 41 3.956 1.769 0.642 1.00 0.00 C ATOM 612 O GLU A 41 3.473 2.478 1.524 1.00 0.00 O ATOM 613 CB GLU A 41 3.910 -0.557 1.562 1.00 0.00 C ATOM 614 CG GLU A 41 3.135 -1.319 0.499 1.00 0.00 C ATOM 615 CD GLU A 41 3.881 -2.541 -0.002 1.00 0.00 C ATOM 616 OE1 GLU A 41 4.668 -2.402 -0.961 1.00 0.00 O ATOM 617 OE2 GLU A 41 3.676 -3.635 0.564 1.00 0.00 O ATOM 0 H GLU A 41 5.994 0.206 2.685 1.00 0.00 H new ATOM 0 HA GLU A 41 5.284 0.188 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.528 -1.259 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.206 -0.118 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.173 -1.627 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.927 -0.655 -0.340 1.00 0.00 H new ATOM 624 N ASN A 42 3.783 2.007 -0.654 1.00 0.00 N ATOM 625 CA ASN A 42 2.997 3.142 -1.124 1.00 0.00 C ATOM 626 C ASN A 42 1.505 2.885 -0.936 1.00 0.00 C ATOM 627 O ASN A 42 1.010 1.776 -1.136 1.00 0.00 O ATOM 628 CB ASN A 42 3.296 3.420 -2.599 1.00 0.00 C ATOM 629 CG ASN A 42 2.388 4.485 -3.182 1.00 0.00 C ATOM 630 OD1 ASN A 42 1.170 4.315 -3.240 1.00 0.00 O ATOM 631 ND2 ASN A 42 2.979 5.592 -3.617 1.00 0.00 N ATOM 0 H ASN A 42 4.176 1.429 -1.397 1.00 0.00 H new ATOM 0 HA ASN A 42 3.275 4.015 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.334 3.735 -2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.183 2.498 -3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.420 6.344 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.992 5.690 -3.549 1.00 0.00 H new ATOM 638 N PRO A 43 0.769 3.935 -0.543 1.00 0.00 N ATOM 639 CA PRO A 43 -0.678 3.849 -0.321 1.00 0.00 C ATOM 640 C PRO A 43 -1.454 3.667 -1.620 1.00 0.00 C ATOM 641 O PRO A 43 -2.285 2.767 -1.737 1.00 0.00 O ATOM 642 CB PRO A 43 -1.018 5.197 0.321 1.00 0.00 C ATOM 643 CG PRO A 43 0.048 6.123 -0.152 1.00 0.00 C ATOM 644 CD PRO A 43 1.292 5.288 -0.286 1.00 0.00 C ATOM 0 HA PRO A 43 -0.946 2.989 0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.006 5.542 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.027 5.126 1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.223 6.575 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.199 6.938 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.924 5.636 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.897 5.320 0.620 1.00 0.00 H new ATOM 652 N VAL A 44 -1.178 4.528 -2.595 1.00 0.00 N ATOM 653 CA VAL A 44 -1.850 4.460 -3.887 1.00 0.00 C ATOM 654 C VAL A 44 -1.740 3.065 -4.491 1.00 0.00 C ATOM 655 O VAL A 44 -2.675 2.577 -5.129 1.00 0.00 O ATOM 656 CB VAL A 44 -1.264 5.484 -4.878 1.00 0.00 C ATOM 657 CG1 VAL A 44 -1.840 5.270 -6.270 1.00 0.00 C ATOM 658 CG2 VAL A 44 -1.527 6.902 -4.396 1.00 0.00 C ATOM 0 H VAL A 44 -0.494 5.280 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.900 4.695 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.185 5.337 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.415 6.002 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.596 4.265 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.923 5.389 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.106 7.612 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.602 7.065 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.062 7.047 -3.421 1.00 0.00 H new ATOM 668 N LEU A 45 -0.594 2.426 -4.287 1.00 0.00 N ATOM 669 CA LEU A 45 -0.362 1.084 -4.811 1.00 0.00 C ATOM 670 C LEU A 45 -1.174 0.050 -4.038 1.00 0.00 C ATOM 671 O LEU A 45 -2.062 -0.596 -4.594 1.00 0.00 O ATOM 672 CB LEU A 45 1.127 0.738 -4.740 1.00 0.00 C ATOM 673 CG LEU A 45 2.067 1.655 -5.522 1.00 0.00 C ATOM 674 CD1 LEU A 45 3.518 1.319 -5.215 1.00 0.00 C ATOM 675 CD2 LEU A 45 1.797 1.548 -7.015 1.00 0.00 C ATOM 0 H LEU A 45 0.190 2.815 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.683 1.066 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.432 0.746 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.260 -0.281 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 45 1.881 2.683 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.173 1.982 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.704 1.449 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.719 0.285 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.476 2.208 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.955 0.520 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.767 1.840 -7.220 1.00 0.00 H new ATOM 687 N GLU A 46 -0.863 -0.100 -2.755 1.00 0.00 N ATOM 688 CA GLU A 46 -1.566 -1.056 -1.906 1.00 0.00 C ATOM 689 C GLU A 46 -3.057 -1.078 -2.231 1.00 0.00 C ATOM 690 O GLU A 46 -3.604 -2.113 -2.610 1.00 0.00 O ATOM 691 CB GLU A 46 -1.360 -0.708 -0.430 1.00 0.00 C ATOM 692 CG GLU A 46 -2.228 -1.523 0.514 1.00 0.00 C ATOM 693 CD GLU A 46 -1.560 -2.810 0.956 1.00 0.00 C ATOM 694 OE1 GLU A 46 -0.640 -2.741 1.798 1.00 0.00 O ATOM 695 OE2 GLU A 46 -1.955 -3.886 0.461 1.00 0.00 O ATOM 0 H GLU A 46 -0.130 0.427 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.155 -2.047 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.312 -0.863 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.572 0.351 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.467 -0.922 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.172 -1.758 0.022 1.00 0.00 H new ATOM 702 N ALA A 47 -3.707 0.071 -2.080 1.00 0.00 N ATOM 703 CA ALA A 47 -5.133 0.184 -2.359 1.00 0.00 C ATOM 704 C ALA A 47 -5.498 -0.534 -3.654 1.00 0.00 C ATOM 705 O ALA A 47 -6.204 -1.542 -3.640 1.00 0.00 O ATOM 706 CB ALA A 47 -5.543 1.647 -2.430 1.00 0.00 C ATOM 0 H ALA A 47 -3.269 0.937 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.676 -0.294 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.611 1.716 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.328 2.132 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.985 2.143 -3.224 1.00 0.00 H new ATOM 712 N LYS A 48 -5.013 -0.007 -4.773 1.00 0.00 N ATOM 713 CA LYS A 48 -5.287 -0.596 -6.078 1.00 0.00 C ATOM 714 C LYS A 48 -4.911 -2.074 -6.098 1.00 0.00 C ATOM 715 O LYS A 48 -5.481 -2.860 -6.855 1.00 0.00 O ATOM 716 CB LYS A 48 -4.517 0.151 -7.170 1.00 0.00 C ATOM 717 CG LYS A 48 -3.170 -0.471 -7.498 1.00 0.00 C ATOM 718 CD LYS A 48 -2.164 0.579 -7.939 1.00 0.00 C ATOM 719 CE LYS A 48 -2.484 1.108 -9.329 1.00 0.00 C ATOM 720 NZ LYS A 48 -1.265 1.598 -10.030 1.00 0.00 N ATOM 0 H LYS A 48 -4.428 0.828 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.356 -0.508 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.124 0.181 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.364 1.183 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.788 -0.997 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.293 -1.213 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.161 1.404 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.162 0.150 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.950 0.319 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.209 1.918 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.525 1.950 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.834 2.368 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.583 0.818 -10.127 1.00 0.00 H new ATOM 734 N ARG A 49 -3.949 -2.447 -5.259 1.00 0.00 N ATOM 735 CA ARG A 49 -3.498 -3.831 -5.180 1.00 0.00 C ATOM 736 C ARG A 49 -4.500 -4.686 -4.410 1.00 0.00 C ATOM 737 O ARG A 49 -4.688 -5.865 -4.711 1.00 0.00 O ATOM 738 CB ARG A 49 -2.126 -3.905 -4.509 1.00 0.00 C ATOM 739 CG ARG A 49 -1.512 -5.295 -4.528 1.00 0.00 C ATOM 740 CD ARG A 49 0.003 -5.237 -4.417 1.00 0.00 C ATOM 741 NE ARG A 49 0.630 -6.494 -4.819 1.00 0.00 N ATOM 742 CZ ARG A 49 0.690 -7.567 -4.039 1.00 0.00 C ATOM 743 NH1 ARG A 49 0.164 -7.537 -2.822 1.00 0.00 N ATOM 744 NH2 ARG A 49 1.278 -8.674 -4.475 1.00 0.00 N ATOM 0 H ARG A 49 -3.467 -1.810 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.419 -4.220 -6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.449 -3.211 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.218 -3.572 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.916 -5.883 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.791 -5.804 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.381 -4.427 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.283 -5.005 -3.389 1.00 0.00 H new ATOM 0 HE ARG A 49 1.044 -6.550 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.288 -6.688 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.212 -8.363 -2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.684 -8.701 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.324 -9.498 -3.875 1.00 0.00 H new ATOM 758 N LYS A 50 -5.141 -4.084 -3.413 1.00 0.00 N ATOM 759 CA LYS A 50 -6.124 -4.788 -2.599 1.00 0.00 C ATOM 760 C LYS A 50 -7.528 -4.612 -3.168 1.00 0.00 C ATOM 761 O LYS A 50 -8.491 -5.193 -2.666 1.00 0.00 O ATOM 762 CB LYS A 50 -6.080 -4.281 -1.156 1.00 0.00 C ATOM 763 CG LYS A 50 -6.309 -2.784 -1.030 1.00 0.00 C ATOM 764 CD LYS A 50 -6.392 -2.353 0.424 1.00 0.00 C ATOM 765 CE LYS A 50 -7.386 -3.202 1.201 1.00 0.00 C ATOM 766 NZ LYS A 50 -7.921 -2.482 2.390 1.00 0.00 N ATOM 0 H LYS A 50 -4.997 -3.109 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.876 -5.849 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.836 -4.806 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.112 -4.530 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.498 -2.248 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.231 -2.511 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.407 -2.431 0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.687 -1.305 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.211 -3.486 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.902 -4.124 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.595 -3.094 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.137 -2.234 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.405 -1.615 2.082 1.00 0.00 H new ATOM 780 N LYS A 51 -7.639 -3.808 -4.220 1.00 0.00 N ATOM 781 CA LYS A 51 -8.925 -3.556 -4.860 1.00 0.00 C ATOM 782 C LYS A 51 -9.069 -4.383 -6.134 1.00 0.00 C ATOM 783 O LYS A 51 -10.173 -4.781 -6.503 1.00 0.00 O ATOM 784 CB LYS A 51 -9.074 -2.068 -5.185 1.00 0.00 C ATOM 785 CG LYS A 51 -10.258 -1.758 -6.085 1.00 0.00 C ATOM 786 CD LYS A 51 -9.874 -1.823 -7.553 1.00 0.00 C ATOM 787 CE LYS A 51 -11.062 -2.202 -8.424 1.00 0.00 C ATOM 788 NZ LYS A 51 -11.933 -1.030 -8.715 1.00 0.00 N ATOM 0 H LYS A 51 -6.853 -3.319 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.712 -3.850 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.180 -1.510 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.161 -1.716 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.062 -2.466 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.643 -0.765 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.482 -0.857 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.075 -2.551 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.704 -2.630 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.647 -2.974 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.731 -1.330 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.296 -0.637 -7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.382 -0.303 -9.215 1.00 0.00 H new ATOM 802 N GLN A 52 -7.947 -4.638 -6.799 1.00 0.00 N ATOM 803 CA GLN A 52 -7.950 -5.417 -8.031 1.00 0.00 C ATOM 804 C GLN A 52 -8.570 -6.792 -7.803 1.00 0.00 C ATOM 805 O GLN A 52 -9.134 -7.390 -8.721 1.00 0.00 O ATOM 806 CB GLN A 52 -6.525 -5.570 -8.566 1.00 0.00 C ATOM 807 CG GLN A 52 -6.098 -4.441 -9.489 1.00 0.00 C ATOM 808 CD GLN A 52 -5.101 -4.890 -10.539 1.00 0.00 C ATOM 809 OE1 GLN A 52 -3.986 -4.375 -10.614 1.00 0.00 O ATOM 810 NE2 GLN A 52 -5.499 -5.857 -11.358 1.00 0.00 N ATOM 0 H GLN A 52 -7.025 -4.317 -6.505 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.552 -4.884 -8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.834 -5.622 -7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.447 -6.516 -9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.978 -4.028 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.659 -3.639 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.433 -6.256 -11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.871 -6.201 -12.085 1.00 0.00 H new ATOM 819 N LEU A 53 -8.463 -7.288 -6.575 1.00 0.00 N ATOM 820 CA LEU A 53 -9.013 -8.593 -6.227 1.00 0.00 C ATOM 821 C LEU A 53 -10.534 -8.535 -6.129 1.00 0.00 C ATOM 822 O LEU A 53 -11.084 -8.063 -5.134 1.00 0.00 O ATOM 823 CB LEU A 53 -8.424 -9.080 -4.902 1.00 0.00 C ATOM 824 CG LEU A 53 -6.900 -9.032 -4.787 1.00 0.00 C ATOM 825 CD1 LEU A 53 -6.480 -8.833 -3.339 1.00 0.00 C ATOM 826 CD2 LEU A 53 -6.283 -10.303 -5.353 1.00 0.00 C ATOM 0 H LEU A 53 -8.000 -6.806 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.745 -9.295 -7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.848 -8.480 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.748 -10.108 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.537 -8.185 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.392 -8.801 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.892 -7.895 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.854 -9.659 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.198 -10.252 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.653 -11.165 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.556 -10.403 -6.404 1.00 0.00 H new ATOM 838 N GLU A 54 -11.208 -9.018 -7.168 1.00 0.00 N ATOM 839 CA GLU A 54 -12.666 -9.021 -7.197 1.00 0.00 C ATOM 840 C GLU A 54 -13.230 -9.974 -6.147 1.00 0.00 C ATOM 841 O GLU A 54 -13.046 -11.188 -6.232 1.00 0.00 O ATOM 842 CB GLU A 54 -13.170 -9.421 -8.586 1.00 0.00 C ATOM 843 CG GLU A 54 -13.276 -8.254 -9.554 1.00 0.00 C ATOM 844 CD GLU A 54 -11.934 -7.607 -9.836 1.00 0.00 C ATOM 845 OE1 GLU A 54 -11.052 -8.288 -10.400 1.00 0.00 O ATOM 846 OE2 GLU A 54 -11.766 -6.418 -9.493 1.00 0.00 O ATOM 0 H GLU A 54 -10.768 -9.412 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.010 -8.012 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.498 -10.170 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.149 -9.890 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.711 -8.602 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.956 -7.507 -9.144 1.00 0.00 H new ATOM 853 N SER A 55 -13.915 -9.413 -5.156 1.00 0.00 N ATOM 854 CA SER A 55 -14.502 -10.211 -4.085 1.00 0.00 C ATOM 855 C SER A 55 -15.102 -11.502 -4.636 1.00 0.00 C ATOM 856 O SER A 55 -15.884 -11.480 -5.585 1.00 0.00 O ATOM 857 CB SER A 55 -15.578 -9.408 -3.352 1.00 0.00 C ATOM 858 OG SER A 55 -16.268 -10.216 -2.415 1.00 0.00 O ATOM 0 H SER A 55 -14.077 -8.410 -5.072 1.00 0.00 H new ATOM 0 HA SER A 55 -13.710 -10.469 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.119 -8.563 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.285 -8.998 -4.073 1.00 0.00 H new ATOM 0 HG SER A 55 -16.949 -9.679 -1.959 1.00 0.00 H new ATOM 864 N GLY A 56 -14.728 -12.626 -4.032 1.00 0.00 N ATOM 865 CA GLY A 56 -15.238 -13.910 -4.475 1.00 0.00 C ATOM 866 C GLY A 56 -14.364 -15.066 -4.028 1.00 0.00 C ATOM 867 O GLY A 56 -13.249 -14.877 -3.542 1.00 0.00 O ATOM 0 H GLY A 56 -14.081 -12.670 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.247 -14.050 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.311 -13.913 -5.563 1.00 0.00 H new ATOM 871 N PRO A 57 -14.874 -16.296 -4.190 1.00 0.00 N ATOM 872 CA PRO A 57 -14.150 -17.510 -3.805 1.00 0.00 C ATOM 873 C PRO A 57 -12.952 -17.782 -4.708 1.00 0.00 C ATOM 874 O PRO A 57 -13.108 -18.038 -5.902 1.00 0.00 O ATOM 875 CB PRO A 57 -15.199 -18.614 -3.962 1.00 0.00 C ATOM 876 CG PRO A 57 -16.158 -18.084 -4.971 1.00 0.00 C ATOM 877 CD PRO A 57 -16.198 -16.595 -4.763 1.00 0.00 C ATOM 0 HA PRO A 57 -13.737 -17.436 -2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.745 -19.546 -4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -15.697 -18.825 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.834 -18.328 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -17.147 -18.523 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -16.360 -16.062 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -17.003 -16.305 -4.088 1.00 0.00 H new ATOM 885 N SER A 58 -11.756 -17.725 -4.130 1.00 0.00 N ATOM 886 CA SER A 58 -10.531 -17.961 -4.884 1.00 0.00 C ATOM 887 C SER A 58 -10.325 -19.452 -5.132 1.00 0.00 C ATOM 888 O SER A 58 -10.185 -20.236 -4.193 1.00 0.00 O ATOM 889 CB SER A 58 -9.327 -17.386 -4.135 1.00 0.00 C ATOM 890 OG SER A 58 -9.174 -18.001 -2.867 1.00 0.00 O ATOM 0 H SER A 58 -11.610 -17.517 -3.142 1.00 0.00 H new ATOM 0 HA SER A 58 -10.624 -17.459 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.423 -17.534 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.453 -16.311 -4.008 1.00 0.00 H new ATOM 0 HG SER A 58 -9.568 -18.898 -2.889 1.00 0.00 H new ATOM 896 N SER A 59 -10.308 -19.837 -6.404 1.00 0.00 N ATOM 897 CA SER A 59 -10.123 -21.235 -6.778 1.00 0.00 C ATOM 898 C SER A 59 -8.998 -21.380 -7.798 1.00 0.00 C ATOM 899 O SER A 59 -9.099 -20.896 -8.924 1.00 0.00 O ATOM 900 CB SER A 59 -11.421 -21.808 -7.349 1.00 0.00 C ATOM 901 OG SER A 59 -11.323 -23.210 -7.531 1.00 0.00 O ATOM 0 H SER A 59 -10.420 -19.201 -7.193 1.00 0.00 H new ATOM 0 HA SER A 59 -9.851 -21.792 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.249 -21.582 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.645 -21.329 -8.302 1.00 0.00 H new ATOM 0 HG SER A 59 -12.166 -23.552 -7.895 1.00 0.00 H new ATOM 907 N GLY A 60 -7.924 -22.052 -7.393 1.00 0.00 N ATOM 908 CA GLY A 60 -6.794 -22.250 -8.282 1.00 0.00 C ATOM 909 C GLY A 60 -5.643 -21.314 -7.974 1.00 0.00 C ATOM 910 O GLY A 60 -5.201 -20.557 -8.839 1.00 0.00 O ATOM 0 H GLY A 60 -7.817 -22.463 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.450 -23.281 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.116 -22.099 -9.312 1.00 0.00 H new TER 914 GLY A 60