USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 786 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: B 34 GLN : amide:sc= 1.16 X(o=2.1,f=1.7) USER MOD Set 1.2: B 38 TYR OH : rot 180:sc= 0.929 USER MOD Set 2.1: B 35 THR OG1 : rot -75:sc= 1.03 USER MOD Set 2.2: B 36 LYS NZ :NH3+ 171:sc= 0.473 (180deg=-0.227) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.775 X(o=1.5,f=1.3) USER MOD Set 3.2: A 38 TYR OH : rot 143:sc= 0.7 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 13 SER OG : rot 93:sc= 1.26 USER MOD Single : A 15 SER OG : rot 152:sc= -0.231 USER MOD Single : A 16 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.99) USER MOD Single : A 17 MET CE :methyl -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 19 SER OG : rot 74:sc= 0.677 USER MOD Single : A 20 MET CE :methyl -141:sc= -0.076 (180deg=-2.02) USER MOD Single : A 23 SER OG : rot -7:sc= 0.937 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 120:sc= -0.356 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.11) USER MOD Single : A 37 ASN : amide:sc= -0.232 K(o=-0.23,f=-3.1!) USER MOD Single : A 46 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 48 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 69:sc= 0.354 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.79 K(o=0.79,f=-3.1!) USER MOD Single : B 1 GLY N :NH3+ -118:sc= 0.0888 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0473 USER MOD Single : B 13 SER OG : rot 90:sc= 0.101 USER MOD Single : B 15 SER OG : rot 167:sc= 1.32 USER MOD Single : B 16 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.64) USER MOD Single : B 17 MET CE :methyl -168:sc= -0.0169 (180deg=-0.207) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -162:sc= -0.215 (180deg=-0.746) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 ASN : amide:sc= 0.347 K(o=0.35,f=-3.4!) USER MOD Single : B 46 THR OG1 : rot 72:sc= 1.23 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 TYR OH : rot 52:sc= 0.016 USER MOD Single : B 50 SER OG : rot 180:sc= 0.159 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.636 20.115 -3.162 1.00 10.00 N ATOM 2 CA GLY A 1 18.891 18.827 -3.846 1.00 10.00 C ATOM 3 C GLY A 1 19.335 17.761 -2.870 1.00 10.00 C ATOM 4 O GLY A 1 18.703 17.574 -1.831 1.00 10.00 O ATOM 0 H1 GLY A 1 18.333 20.825 -3.860 1.00 10.00 H new ATOM 0 H2 GLY A 1 17.888 19.988 -2.450 1.00 10.00 H new ATOM 0 H3 GLY A 1 19.507 20.438 -2.695 1.00 10.00 H new ATOM 0 HA2 GLY A 1 17.986 18.500 -4.357 1.00 10.00 H new ATOM 0 HA3 GLY A 1 19.656 18.964 -4.610 1.00 10.00 H new ATOM 10 N SER A 2 20.417 17.068 -3.189 1.00 10.00 N ATOM 11 CA SER A 2 20.934 16.026 -2.318 1.00 10.00 C ATOM 12 C SER A 2 22.093 16.559 -1.475 1.00 10.00 C ATOM 13 O SER A 2 23.176 16.843 -1.998 1.00 10.00 O ATOM 14 CB SER A 2 21.384 14.822 -3.150 1.00 10.00 C ATOM 15 OG SER A 2 21.990 15.239 -4.363 1.00 10.00 O ATOM 0 H SER A 2 20.954 17.209 -4.045 1.00 10.00 H new ATOM 0 HA SER A 2 20.140 15.707 -1.643 1.00 10.00 H new ATOM 0 HB2 SER A 2 22.089 14.221 -2.575 1.00 10.00 H new ATOM 0 HB3 SER A 2 20.527 14.185 -3.368 1.00 10.00 H new ATOM 0 HG SER A 2 22.270 14.452 -4.876 1.00 10.00 H new ATOM 21 N PRO A 3 21.875 16.728 -0.163 1.00 10.00 N ATOM 22 CA PRO A 3 22.906 17.233 0.745 1.00 10.00 C ATOM 23 C PRO A 3 24.002 16.202 1.006 1.00 10.00 C ATOM 24 O PRO A 3 23.737 14.999 1.033 1.00 10.00 O ATOM 25 CB PRO A 3 22.130 17.532 2.028 1.00 10.00 C ATOM 26 CG PRO A 3 20.958 16.616 1.991 1.00 10.00 C ATOM 27 CD PRO A 3 20.609 16.440 0.538 1.00 10.00 C ATOM 0 HA PRO A 3 23.425 18.099 0.336 1.00 10.00 H new ATOM 0 HB2 PRO A 3 22.743 17.353 2.911 1.00 10.00 H new ATOM 0 HB3 PRO A 3 21.815 18.575 2.065 1.00 10.00 H new ATOM 0 HG2 PRO A 3 21.198 15.658 2.453 1.00 10.00 H new ATOM 0 HG3 PRO A 3 20.118 17.036 2.545 1.00 10.00 H new ATOM 0 HD2 PRO A 3 20.257 15.429 0.330 1.00 10.00 H new ATOM 0 HD3 PRO A 3 19.817 17.123 0.231 1.00 10.00 H new ATOM 35 N PRO A 4 25.252 16.655 1.216 1.00 10.00 N ATOM 36 CA PRO A 4 26.391 15.761 1.479 1.00 10.00 C ATOM 37 C PRO A 4 26.233 14.981 2.779 1.00 10.00 C ATOM 38 O PRO A 4 26.936 13.995 3.018 1.00 10.00 O ATOM 39 CB PRO A 4 27.591 16.711 1.586 1.00 10.00 C ATOM 40 CG PRO A 4 27.143 17.990 0.971 1.00 10.00 C ATOM 41 CD PRO A 4 25.663 18.069 1.198 1.00 10.00 C ATOM 0 HA PRO A 4 26.491 15.009 0.696 1.00 10.00 H new ATOM 0 HB2 PRO A 4 27.884 16.857 2.626 1.00 10.00 H new ATOM 0 HB3 PRO A 4 28.459 16.307 1.064 1.00 10.00 H new ATOM 0 HG2 PRO A 4 27.652 18.840 1.426 1.00 10.00 H new ATOM 0 HG3 PRO A 4 27.375 18.012 -0.094 1.00 10.00 H new ATOM 0 HD2 PRO A 4 25.425 18.570 2.136 1.00 10.00 H new ATOM 0 HD3 PRO A 4 25.163 18.624 0.405 1.00 10.00 H new ATOM 49 N GLU A 5 25.303 15.421 3.617 1.00 10.00 N ATOM 50 CA GLU A 5 25.054 14.769 4.895 1.00 10.00 C ATOM 51 C GLU A 5 24.105 13.587 4.730 1.00 10.00 C ATOM 52 O GLU A 5 23.802 12.881 5.694 1.00 10.00 O ATOM 53 CB GLU A 5 24.481 15.768 5.898 1.00 10.00 C ATOM 54 CG GLU A 5 25.362 16.988 6.109 1.00 10.00 C ATOM 55 CD GLU A 5 26.802 16.625 6.426 1.00 10.00 C ATOM 56 OE1 GLU A 5 27.062 16.115 7.531 1.00 10.00 O ATOM 57 OE2 GLU A 5 27.681 16.855 5.566 1.00 10.00 O ATOM 0 H GLU A 5 24.708 16.229 3.433 1.00 10.00 H new ATOM 0 HA GLU A 5 26.005 14.393 5.273 1.00 10.00 H new ATOM 0 HB2 GLU A 5 23.499 16.094 5.554 1.00 10.00 H new ATOM 0 HB3 GLU A 5 24.333 15.266 6.854 1.00 10.00 H new ATOM 0 HG2 GLU A 5 25.337 17.608 5.213 1.00 10.00 H new ATOM 0 HG3 GLU A 5 24.955 17.588 6.923 1.00 10.00 H new ATOM 64 N ALA A 6 23.630 13.381 3.512 1.00 10.00 N ATOM 65 CA ALA A 6 22.733 12.275 3.230 1.00 10.00 C ATOM 66 C ALA A 6 23.542 11.027 2.915 1.00 10.00 C ATOM 67 O ALA A 6 24.381 11.039 2.016 1.00 10.00 O ATOM 68 CB ALA A 6 21.801 12.618 2.077 1.00 10.00 C ATOM 0 H ALA A 6 23.851 13.965 2.705 1.00 10.00 H new ATOM 0 HA ALA A 6 22.119 12.085 4.110 1.00 10.00 H new ATOM 0 HB1 ALA A 6 21.137 11.775 1.882 1.00 10.00 H new ATOM 0 HB2 ALA A 6 21.208 13.495 2.337 1.00 10.00 H new ATOM 0 HB3 ALA A 6 22.389 12.830 1.184 1.00 10.00 H new ATOM 74 N ASP A 7 23.310 9.964 3.671 1.00 10.00 N ATOM 75 CA ASP A 7 24.025 8.709 3.465 1.00 10.00 C ATOM 76 C ASP A 7 23.740 8.151 2.071 1.00 10.00 C ATOM 77 O ASP A 7 22.579 7.955 1.698 1.00 10.00 O ATOM 78 CB ASP A 7 23.627 7.688 4.534 1.00 10.00 C ATOM 79 CG ASP A 7 24.490 6.443 4.495 1.00 10.00 C ATOM 80 OD1 ASP A 7 24.167 5.512 3.736 1.00 10.00 O ATOM 81 OD2 ASP A 7 25.496 6.389 5.229 1.00 10.00 O ATOM 0 H ASP A 7 22.633 9.943 4.433 1.00 10.00 H new ATOM 0 HA ASP A 7 25.094 8.905 3.548 1.00 10.00 H new ATOM 0 HB2 ASP A 7 23.704 8.149 5.519 1.00 10.00 H new ATOM 0 HB3 ASP A 7 22.583 7.407 4.394 1.00 10.00 H new ATOM 86 N PRO A 8 24.800 7.882 1.289 1.00 10.00 N ATOM 87 CA PRO A 8 24.675 7.367 -0.084 1.00 10.00 C ATOM 88 C PRO A 8 23.998 6.003 -0.163 1.00 10.00 C ATOM 89 O PRO A 8 23.527 5.606 -1.224 1.00 10.00 O ATOM 90 CB PRO A 8 26.125 7.268 -0.569 1.00 10.00 C ATOM 91 CG PRO A 8 26.946 7.223 0.674 1.00 10.00 C ATOM 92 CD PRO A 8 26.210 8.056 1.680 1.00 10.00 C ATOM 0 HA PRO A 8 24.046 8.020 -0.689 1.00 10.00 H new ATOM 0 HB2 PRO A 8 26.278 6.375 -1.175 1.00 10.00 H new ATOM 0 HB3 PRO A 8 26.393 8.124 -1.188 1.00 10.00 H new ATOM 0 HG2 PRO A 8 27.065 6.199 1.027 1.00 10.00 H new ATOM 0 HG3 PRO A 8 27.946 7.618 0.496 1.00 10.00 H new ATOM 0 HD2 PRO A 8 26.391 7.712 2.698 1.00 10.00 H new ATOM 0 HD3 PRO A 8 26.514 9.102 1.638 1.00 10.00 H new ATOM 100 N ARG A 9 23.959 5.282 0.947 1.00 10.00 N ATOM 101 CA ARG A 9 23.329 3.968 0.978 1.00 10.00 C ATOM 102 C ARG A 9 21.879 4.092 1.432 1.00 10.00 C ATOM 103 O ARG A 9 21.012 3.340 0.995 1.00 10.00 O ATOM 104 CB ARG A 9 24.097 3.025 1.900 1.00 10.00 C ATOM 105 CG ARG A 9 25.569 2.920 1.557 1.00 10.00 C ATOM 106 CD ARG A 9 26.384 2.499 2.760 1.00 10.00 C ATOM 107 NE ARG A 9 26.197 3.401 3.892 1.00 10.00 N ATOM 108 CZ ARG A 9 26.703 3.180 5.102 1.00 10.00 C ATOM 109 NH1 ARG A 9 27.412 2.087 5.346 1.00 10.00 N ATOM 110 NH2 ARG A 9 26.502 4.061 6.070 1.00 10.00 N ATOM 0 H ARG A 9 24.355 5.583 1.838 1.00 10.00 H new ATOM 0 HA ARG A 9 23.347 3.551 -0.029 1.00 10.00 H new ATOM 0 HB2 ARG A 9 23.994 3.370 2.929 1.00 10.00 H new ATOM 0 HB3 ARG A 9 23.648 2.033 1.850 1.00 10.00 H new ATOM 0 HG2 ARG A 9 25.706 2.199 0.751 1.00 10.00 H new ATOM 0 HG3 ARG A 9 25.929 3.881 1.189 1.00 10.00 H new ATOM 0 HD2 ARG A 9 26.102 1.488 3.052 1.00 10.00 H new ATOM 0 HD3 ARG A 9 27.440 2.470 2.490 1.00 10.00 H new ATOM 0 HE ARG A 9 25.648 4.248 3.747 1.00 10.00 H new ATOM 0 HH11 ARG A 9 27.573 1.407 4.603 1.00 10.00 H new ATOM 0 HH12 ARG A 9 27.796 1.926 6.277 1.00 10.00 H new ATOM 0 HH21 ARG A 9 25.961 4.906 5.886 1.00 10.00 H new ATOM 0 HH22 ARG A 9 26.889 3.895 6.999 1.00 10.00 H new ATOM 124 N LEU A 10 21.622 5.060 2.302 1.00 10.00 N ATOM 125 CA LEU A 10 20.276 5.289 2.808 1.00 10.00 C ATOM 126 C LEU A 10 19.370 5.780 1.686 1.00 10.00 C ATOM 127 O LEU A 10 18.182 5.459 1.644 1.00 10.00 O ATOM 128 CB LEU A 10 20.298 6.311 3.943 1.00 10.00 C ATOM 129 CG LEU A 10 18.938 6.609 4.573 1.00 10.00 C ATOM 130 CD1 LEU A 10 18.480 5.450 5.445 1.00 10.00 C ATOM 131 CD2 LEU A 10 19.001 7.896 5.377 1.00 10.00 C ATOM 0 H LEU A 10 22.327 5.698 2.671 1.00 10.00 H new ATOM 0 HA LEU A 10 19.887 4.346 3.193 1.00 10.00 H new ATOM 0 HB2 LEU A 10 20.971 5.952 4.722 1.00 10.00 H new ATOM 0 HB3 LEU A 10 20.718 7.243 3.564 1.00 10.00 H new ATOM 0 HG LEU A 10 18.208 6.736 3.773 1.00 10.00 H new ATOM 0 HD11 LEU A 10 17.510 5.685 5.883 1.00 10.00 H new ATOM 0 HD12 LEU A 10 18.395 4.549 4.838 1.00 10.00 H new ATOM 0 HD13 LEU A 10 19.206 5.284 6.241 1.00 10.00 H new ATOM 0 HD21 LEU A 10 18.026 8.096 5.820 1.00 10.00 H new ATOM 0 HD22 LEU A 10 19.745 7.795 6.167 1.00 10.00 H new ATOM 0 HD23 LEU A 10 19.278 8.721 4.721 1.00 10.00 H new ATOM 143 N ILE A 11 19.941 6.556 0.771 1.00 10.00 N ATOM 144 CA ILE A 11 19.189 7.079 -0.357 1.00 10.00 C ATOM 145 C ILE A 11 18.946 5.974 -1.392 1.00 10.00 C ATOM 146 O ILE A 11 18.083 6.099 -2.264 1.00 10.00 O ATOM 147 CB ILE A 11 19.914 8.285 -1.011 1.00 10.00 C ATOM 148 CG1 ILE A 11 18.954 9.060 -1.921 1.00 10.00 C ATOM 149 CG2 ILE A 11 21.141 7.829 -1.789 1.00 10.00 C ATOM 150 CD1 ILE A 11 19.533 10.351 -2.459 1.00 10.00 C ATOM 0 H ILE A 11 20.922 6.835 0.791 1.00 10.00 H new ATOM 0 HA ILE A 11 18.227 7.432 0.016 1.00 10.00 H new ATOM 0 HB ILE A 11 20.249 8.950 -0.215 1.00 10.00 H new ATOM 0 HG12 ILE A 11 18.668 8.424 -2.759 1.00 10.00 H new ATOM 0 HG13 ILE A 11 18.043 9.284 -1.366 1.00 10.00 H new ATOM 0 HG21 ILE A 11 21.630 8.694 -2.237 1.00 10.00 H new ATOM 0 HG22 ILE A 11 21.835 7.329 -1.113 1.00 10.00 H new ATOM 0 HG23 ILE A 11 20.837 7.137 -2.574 1.00 10.00 H new ATOM 0 HD11 ILE A 11 18.796 10.843 -3.094 1.00 10.00 H new ATOM 0 HD12 ILE A 11 19.793 11.007 -1.628 1.00 10.00 H new ATOM 0 HD13 ILE A 11 20.427 10.133 -3.043 1.00 10.00 H new ATOM 162 N GLU A 12 19.682 4.874 -1.257 1.00 10.00 N ATOM 163 CA GLU A 12 19.549 3.742 -2.167 1.00 10.00 C ATOM 164 C GLU A 12 18.235 3.010 -1.938 1.00 10.00 C ATOM 165 O GLU A 12 17.794 2.246 -2.787 1.00 10.00 O ATOM 166 CB GLU A 12 20.712 2.765 -2.001 1.00 10.00 C ATOM 167 CG GLU A 12 22.040 3.308 -2.489 1.00 10.00 C ATOM 168 CD GLU A 12 22.198 3.245 -3.995 1.00 10.00 C ATOM 169 OE1 GLU A 12 21.176 3.288 -4.718 1.00 10.00 O ATOM 170 OE2 GLU A 12 23.352 3.146 -4.466 1.00 10.00 O ATOM 0 H GLU A 12 20.379 4.743 -0.523 1.00 10.00 H new ATOM 0 HA GLU A 12 19.562 4.138 -3.182 1.00 10.00 H new ATOM 0 HB2 GLU A 12 20.804 2.499 -0.948 1.00 10.00 H new ATOM 0 HB3 GLU A 12 20.484 1.847 -2.543 1.00 10.00 H new ATOM 0 HG2 GLU A 12 22.143 4.343 -2.163 1.00 10.00 H new ATOM 0 HG3 GLU A 12 22.848 2.745 -2.022 1.00 10.00 H new ATOM 177 N SER A 13 17.614 3.252 -0.784 1.00 10.00 N ATOM 178 CA SER A 13 16.345 2.620 -0.451 1.00 10.00 C ATOM 179 C SER A 13 15.287 2.948 -1.503 1.00 10.00 C ATOM 180 O SER A 13 14.419 2.130 -1.807 1.00 10.00 O ATOM 181 CB SER A 13 15.877 3.077 0.927 1.00 10.00 C ATOM 182 OG SER A 13 16.949 3.061 1.854 1.00 10.00 O ATOM 0 H SER A 13 17.972 3.882 -0.066 1.00 10.00 H new ATOM 0 HA SER A 13 16.491 1.540 -0.435 1.00 10.00 H new ATOM 0 HB2 SER A 13 15.463 4.083 0.860 1.00 10.00 H new ATOM 0 HB3 SER A 13 15.077 2.426 1.279 1.00 10.00 H new ATOM 0 HG SER A 13 17.370 3.945 1.882 1.00 10.00 H new ATOM 188 N LEU A 14 15.383 4.145 -2.072 1.00 10.00 N ATOM 189 CA LEU A 14 14.446 4.580 -3.096 1.00 10.00 C ATOM 190 C LEU A 14 14.765 3.892 -4.419 1.00 10.00 C ATOM 191 O LEU A 14 13.869 3.387 -5.097 1.00 10.00 O ATOM 192 CB LEU A 14 14.489 6.105 -3.266 1.00 10.00 C ATOM 193 CG LEU A 14 13.827 6.911 -2.143 1.00 10.00 C ATOM 194 CD1 LEU A 14 14.769 7.070 -0.959 1.00 10.00 C ATOM 195 CD2 LEU A 14 13.380 8.268 -2.660 1.00 10.00 C ATOM 0 H LEU A 14 16.102 4.830 -1.840 1.00 10.00 H new ATOM 0 HA LEU A 14 13.440 4.302 -2.783 1.00 10.00 H new ATOM 0 HB2 LEU A 14 15.531 6.415 -3.347 1.00 10.00 H new ATOM 0 HB3 LEU A 14 14.005 6.362 -4.208 1.00 10.00 H new ATOM 0 HG LEU A 14 12.949 6.364 -1.801 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.275 7.646 -0.176 1.00 10.00 H new ATOM 0 HD12 LEU A 14 15.037 6.087 -0.572 1.00 10.00 H new ATOM 0 HD13 LEU A 14 15.671 7.592 -1.279 1.00 10.00 H new ATOM 0 HD21 LEU A 14 12.912 8.829 -1.851 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.244 8.819 -3.031 1.00 10.00 H new ATOM 0 HD23 LEU A 14 12.663 8.131 -3.469 1.00 10.00 H new ATOM 207 N SER A 15 16.049 3.854 -4.767 1.00 10.00 N ATOM 208 CA SER A 15 16.492 3.224 -6.003 1.00 10.00 C ATOM 209 C SER A 15 16.239 1.717 -5.965 1.00 10.00 C ATOM 210 O SER A 15 15.863 1.124 -6.969 1.00 10.00 O ATOM 211 CB SER A 15 17.981 3.505 -6.235 1.00 10.00 C ATOM 212 OG SER A 15 18.537 4.255 -5.161 1.00 10.00 O ATOM 0 H SER A 15 16.801 4.254 -4.207 1.00 10.00 H new ATOM 0 HA SER A 15 15.919 3.647 -6.828 1.00 10.00 H new ATOM 0 HB2 SER A 15 18.519 2.563 -6.341 1.00 10.00 H new ATOM 0 HB3 SER A 15 18.109 4.052 -7.169 1.00 10.00 H new ATOM 0 HG SER A 15 19.491 4.046 -5.075 1.00 10.00 H new ATOM 218 N GLN A 16 16.434 1.118 -4.795 1.00 10.00 N ATOM 219 CA GLN A 16 16.236 -0.316 -4.612 1.00 10.00 C ATOM 220 C GLN A 16 14.816 -0.726 -4.994 1.00 10.00 C ATOM 221 O GLN A 16 14.622 -1.708 -5.710 1.00 10.00 O ATOM 222 CB GLN A 16 16.533 -0.710 -3.161 1.00 10.00 C ATOM 223 CG GLN A 16 16.390 -2.199 -2.872 1.00 10.00 C ATOM 224 CD GLN A 16 17.224 -3.069 -3.797 1.00 10.00 C ATOM 225 OE1 GLN A 16 18.272 -2.651 -4.291 1.00 10.00 O ATOM 226 NE2 GLN A 16 16.777 -4.292 -4.025 1.00 10.00 N ATOM 0 H GLN A 16 16.732 1.609 -3.952 1.00 10.00 H new ATOM 0 HA GLN A 16 16.928 -0.842 -5.270 1.00 10.00 H new ATOM 0 HB2 GLN A 16 17.548 -0.400 -2.914 1.00 10.00 H new ATOM 0 HB3 GLN A 16 15.862 -0.158 -2.503 1.00 10.00 H new ATOM 0 HG2 GLN A 16 16.682 -2.392 -1.840 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.341 -2.482 -2.965 1.00 10.00 H new ATOM 0 HE21 GLN A 16 15.904 -4.604 -3.599 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.305 -4.924 -4.627 1.00 10.00 H new ATOM 235 N MET A 17 13.834 0.035 -4.525 1.00 10.00 N ATOM 236 CA MET A 17 12.437 -0.256 -4.829 1.00 10.00 C ATOM 237 C MET A 17 12.183 -0.116 -6.323 1.00 10.00 C ATOM 238 O MET A 17 11.521 -0.958 -6.935 1.00 10.00 O ATOM 239 CB MET A 17 11.503 0.675 -4.048 1.00 10.00 C ATOM 240 CG MET A 17 11.665 0.584 -2.539 1.00 10.00 C ATOM 241 SD MET A 17 11.605 -1.113 -1.929 1.00 10.00 S ATOM 242 CE MET A 17 9.886 -1.531 -2.214 1.00 10.00 C ATOM 0 H MET A 17 13.978 0.855 -3.935 1.00 10.00 H new ATOM 0 HA MET A 17 12.230 -1.283 -4.528 1.00 10.00 H new ATOM 0 HB2 MET A 17 11.685 1.703 -4.362 1.00 10.00 H new ATOM 0 HB3 MET A 17 10.471 0.440 -4.308 1.00 10.00 H new ATOM 0 HG2 MET A 17 12.615 1.035 -2.253 1.00 10.00 H new ATOM 0 HG3 MET A 17 10.879 1.166 -2.058 1.00 10.00 H new ATOM 0 HE1 MET A 17 9.684 -2.527 -1.820 1.00 10.00 H new ATOM 0 HE2 MET A 17 9.247 -0.805 -1.711 1.00 10.00 H new ATOM 0 HE3 MET A 17 9.680 -1.516 -3.284 1.00 10.00 H new ATOM 252 N LEU A 18 12.735 0.938 -6.909 1.00 10.00 N ATOM 253 CA LEU A 18 12.587 1.203 -8.334 1.00 10.00 C ATOM 254 C LEU A 18 13.200 0.075 -9.161 1.00 10.00 C ATOM 255 O LEU A 18 12.551 -0.476 -10.051 1.00 10.00 O ATOM 256 CB LEU A 18 13.250 2.537 -8.693 1.00 10.00 C ATOM 257 CG LEU A 18 13.312 2.861 -10.188 1.00 10.00 C ATOM 258 CD1 LEU A 18 11.915 3.079 -10.755 1.00 10.00 C ATOM 259 CD2 LEU A 18 14.188 4.081 -10.436 1.00 10.00 C ATOM 0 H LEU A 18 13.296 1.631 -6.413 1.00 10.00 H new ATOM 0 HA LEU A 18 11.523 1.260 -8.564 1.00 10.00 H new ATOM 0 HB2 LEU A 18 12.711 3.338 -8.187 1.00 10.00 H new ATOM 0 HB3 LEU A 18 14.265 2.536 -8.297 1.00 10.00 H new ATOM 0 HG LEU A 18 13.756 2.008 -10.701 1.00 10.00 H new ATOM 0 HD11 LEU A 18 11.986 3.308 -11.818 1.00 10.00 H new ATOM 0 HD12 LEU A 18 11.321 2.175 -10.617 1.00 10.00 H new ATOM 0 HD13 LEU A 18 11.437 3.910 -10.236 1.00 10.00 H new ATOM 0 HD21 LEU A 18 14.219 4.295 -11.504 1.00 10.00 H new ATOM 0 HD22 LEU A 18 13.775 4.939 -9.906 1.00 10.00 H new ATOM 0 HD23 LEU A 18 15.198 3.883 -10.076 1.00 10.00 H new ATOM 271 N SER A 19 14.438 -0.280 -8.841 1.00 10.00 N ATOM 272 CA SER A 19 15.148 -1.337 -9.549 1.00 10.00 C ATOM 273 C SER A 19 14.466 -2.692 -9.356 1.00 10.00 C ATOM 274 O SER A 19 14.597 -3.589 -10.188 1.00 10.00 O ATOM 275 CB SER A 19 16.600 -1.402 -9.072 1.00 10.00 C ATOM 276 OG SER A 19 17.229 -0.134 -9.182 1.00 10.00 O ATOM 0 H SER A 19 14.975 0.153 -8.089 1.00 10.00 H new ATOM 0 HA SER A 19 15.130 -1.103 -10.613 1.00 10.00 H new ATOM 0 HB2 SER A 19 16.631 -1.739 -8.036 1.00 10.00 H new ATOM 0 HB3 SER A 19 17.148 -2.136 -9.663 1.00 10.00 H new ATOM 0 HG SER A 19 16.895 0.459 -8.477 1.00 10.00 H new ATOM 282 N MET A 20 13.741 -2.838 -8.252 1.00 10.00 N ATOM 283 CA MET A 20 13.029 -4.077 -7.963 1.00 10.00 C ATOM 284 C MET A 20 11.759 -4.162 -8.805 1.00 10.00 C ATOM 285 O MET A 20 11.165 -5.231 -8.965 1.00 10.00 O ATOM 286 CB MET A 20 12.672 -4.146 -6.477 1.00 10.00 C ATOM 287 CG MET A 20 12.007 -5.451 -6.066 1.00 10.00 C ATOM 288 SD MET A 20 11.410 -5.421 -4.366 1.00 10.00 S ATOM 289 CE MET A 20 12.940 -5.181 -3.477 1.00 10.00 C ATOM 0 H MET A 20 13.631 -2.113 -7.543 1.00 10.00 H new ATOM 0 HA MET A 20 13.677 -4.918 -8.211 1.00 10.00 H new ATOM 0 HB2 MET A 20 13.579 -4.010 -5.888 1.00 10.00 H new ATOM 0 HB3 MET A 20 12.007 -3.318 -6.234 1.00 10.00 H new ATOM 0 HG2 MET A 20 11.172 -5.656 -6.736 1.00 10.00 H new ATOM 0 HG3 MET A 20 12.718 -6.269 -6.183 1.00 10.00 H new ATOM 0 HE1 MET A 20 12.929 -5.780 -2.566 1.00 10.00 H new ATOM 0 HE2 MET A 20 13.777 -5.488 -4.104 1.00 10.00 H new ATOM 0 HE3 MET A 20 13.049 -4.128 -3.217 1.00 10.00 H new ATOM 299 N GLY A 21 11.346 -3.027 -9.346 1.00 10.00 N ATOM 300 CA GLY A 21 10.161 -2.986 -10.170 1.00 10.00 C ATOM 301 C GLY A 21 8.961 -2.456 -9.424 1.00 10.00 C ATOM 302 O GLY A 21 7.826 -2.599 -9.884 1.00 10.00 O ATOM 0 H GLY A 21 11.815 -2.129 -9.227 1.00 10.00 H new ATOM 0 HA2 GLY A 21 10.349 -2.360 -11.042 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.943 -3.988 -10.539 1.00 10.00 H new ATOM 306 N PHE A 22 9.195 -1.855 -8.268 1.00 10.00 N ATOM 307 CA PHE A 22 8.110 -1.303 -7.482 1.00 10.00 C ATOM 308 C PHE A 22 8.113 0.211 -7.599 1.00 10.00 C ATOM 309 O PHE A 22 9.087 0.875 -7.247 1.00 10.00 O ATOM 310 CB PHE A 22 8.241 -1.714 -6.010 1.00 10.00 C ATOM 311 CG PHE A 22 6.935 -1.951 -5.305 1.00 10.00 C ATOM 312 CD1 PHE A 22 5.753 -1.396 -5.772 1.00 10.00 C ATOM 313 CD2 PHE A 22 6.893 -2.739 -4.169 1.00 10.00 C ATOM 314 CE1 PHE A 22 4.560 -1.625 -5.117 1.00 10.00 C ATOM 315 CE2 PHE A 22 5.704 -2.972 -3.508 1.00 10.00 C ATOM 316 CZ PHE A 22 4.533 -2.414 -3.983 1.00 10.00 C ATOM 0 H PHE A 22 10.122 -1.739 -7.858 1.00 10.00 H new ATOM 0 HA PHE A 22 7.168 -1.695 -7.865 1.00 10.00 H new ATOM 0 HB2 PHE A 22 8.839 -2.623 -5.953 1.00 10.00 H new ATOM 0 HB3 PHE A 22 8.790 -0.937 -5.478 1.00 10.00 H new ATOM 0 HD1 PHE A 22 5.766 -0.778 -6.658 1.00 10.00 H new ATOM 0 HD2 PHE A 22 7.805 -3.179 -3.793 1.00 10.00 H new ATOM 0 HE1 PHE A 22 3.646 -1.187 -5.491 1.00 10.00 H new ATOM 0 HE2 PHE A 22 5.689 -3.589 -2.622 1.00 10.00 H new ATOM 0 HZ PHE A 22 3.600 -2.594 -3.470 1.00 10.00 H new ATOM 326 N SER A 23 7.012 0.738 -8.085 1.00 10.00 N ATOM 327 CA SER A 23 6.844 2.166 -8.259 1.00 10.00 C ATOM 328 C SER A 23 5.363 2.477 -8.376 1.00 10.00 C ATOM 329 O SER A 23 4.660 1.885 -9.195 1.00 10.00 O ATOM 330 CB SER A 23 7.590 2.647 -9.509 1.00 10.00 C ATOM 331 OG SER A 23 8.994 2.511 -9.351 1.00 10.00 O ATOM 0 H SER A 23 6.203 0.187 -8.373 1.00 10.00 H new ATOM 0 HA SER A 23 7.260 2.687 -7.397 1.00 10.00 H new ATOM 0 HB2 SER A 23 7.261 2.073 -10.376 1.00 10.00 H new ATOM 0 HB3 SER A 23 7.342 3.690 -9.705 1.00 10.00 H new ATOM 0 HG SER A 23 9.195 2.235 -8.432 1.00 10.00 H new ATOM 337 N ASP A 24 4.881 3.383 -7.549 1.00 10.00 N ATOM 338 CA ASP A 24 3.475 3.736 -7.572 1.00 10.00 C ATOM 339 C ASP A 24 3.271 5.087 -8.248 1.00 10.00 C ATOM 340 O ASP A 24 4.242 5.771 -8.591 1.00 10.00 O ATOM 341 CB ASP A 24 2.901 3.708 -6.153 1.00 10.00 C ATOM 342 CG ASP A 24 2.909 5.048 -5.467 1.00 10.00 C ATOM 343 OD1 ASP A 24 3.977 5.482 -4.983 1.00 10.00 O ATOM 344 OD2 ASP A 24 1.837 5.663 -5.384 1.00 10.00 O ATOM 0 H ASP A 24 5.437 3.885 -6.857 1.00 10.00 H new ATOM 0 HA ASP A 24 2.931 2.998 -8.162 1.00 10.00 H new ATOM 0 HB2 ASP A 24 1.877 3.337 -6.193 1.00 10.00 H new ATOM 0 HB3 ASP A 24 3.473 3.000 -5.554 1.00 10.00 H new ATOM 349 N GLU A 25 2.019 5.466 -8.451 1.00 10.00 N ATOM 350 CA GLU A 25 1.701 6.714 -9.132 1.00 10.00 C ATOM 351 C GLU A 25 0.975 7.708 -8.230 1.00 10.00 C ATOM 352 O GLU A 25 1.124 8.920 -8.398 1.00 10.00 O ATOM 353 CB GLU A 25 0.851 6.435 -10.381 1.00 10.00 C ATOM 354 CG GLU A 25 0.400 4.984 -10.530 1.00 10.00 C ATOM 355 CD GLU A 25 -0.701 4.598 -9.559 1.00 10.00 C ATOM 356 OE1 GLU A 25 -0.395 4.344 -8.374 1.00 10.00 O ATOM 357 OE2 GLU A 25 -1.876 4.538 -9.979 1.00 10.00 O ATOM 0 H GLU A 25 1.205 4.928 -8.154 1.00 10.00 H new ATOM 0 HA GLU A 25 2.650 7.167 -9.419 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.031 7.075 -10.355 1.00 10.00 H new ATOM 0 HB3 GLU A 25 1.424 6.717 -11.265 1.00 10.00 H new ATOM 0 HG2 GLU A 25 0.050 4.822 -11.549 1.00 10.00 H new ATOM 0 HG3 GLU A 25 1.256 4.327 -10.379 1.00 10.00 H new ATOM 364 N GLY A 26 0.198 7.204 -7.280 1.00 10.00 N ATOM 365 CA GLY A 26 -0.553 8.080 -6.392 1.00 10.00 C ATOM 366 C GLY A 26 0.296 8.702 -5.306 1.00 10.00 C ATOM 367 O GLY A 26 -0.112 9.674 -4.665 1.00 10.00 O ATOM 0 H GLY A 26 0.072 6.207 -7.106 1.00 10.00 H new ATOM 0 HA2 GLY A 26 -1.015 8.872 -6.981 1.00 10.00 H new ATOM 0 HA3 GLY A 26 -1.361 7.512 -5.931 1.00 10.00 H new ATOM 371 N GLY A 27 1.466 8.139 -5.086 1.00 10.00 N ATOM 372 CA GLY A 27 2.358 8.642 -4.075 1.00 10.00 C ATOM 373 C GLY A 27 2.157 7.930 -2.761 1.00 10.00 C ATOM 374 O GLY A 27 2.345 8.514 -1.694 1.00 10.00 O ATOM 0 H GLY A 27 1.818 7.330 -5.598 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.390 8.518 -4.404 1.00 10.00 H new ATOM 0 HA3 GLY A 27 2.192 9.711 -3.941 1.00 10.00 H new ATOM 378 N TRP A 28 1.771 6.663 -2.829 1.00 10.00 N ATOM 379 CA TRP A 28 1.549 5.890 -1.619 1.00 10.00 C ATOM 380 C TRP A 28 2.815 5.147 -1.203 1.00 10.00 C ATOM 381 O TRP A 28 3.076 4.980 -0.010 1.00 10.00 O ATOM 382 CB TRP A 28 0.343 4.936 -1.766 1.00 10.00 C ATOM 383 CG TRP A 28 0.574 3.700 -2.595 1.00 10.00 C ATOM 384 CD1 TRP A 28 0.239 3.523 -3.904 1.00 10.00 C ATOM 385 CD2 TRP A 28 1.148 2.458 -2.156 1.00 10.00 C ATOM 386 NE1 TRP A 28 0.591 2.259 -4.313 1.00 10.00 N ATOM 387 CE2 TRP A 28 1.148 1.587 -3.259 1.00 10.00 C ATOM 388 CE3 TRP A 28 1.672 2.004 -0.939 1.00 10.00 C ATOM 389 CZ2 TRP A 28 1.646 0.288 -3.184 1.00 10.00 C ATOM 390 CZ3 TRP A 28 2.164 0.715 -0.868 1.00 10.00 C ATOM 391 CH2 TRP A 28 2.148 -0.130 -1.982 1.00 10.00 C ATOM 0 H TRP A 28 1.607 6.155 -3.698 1.00 10.00 H new ATOM 0 HA TRP A 28 1.303 6.589 -0.819 1.00 10.00 H new ATOM 0 HB2 TRP A 28 0.026 4.627 -0.770 1.00 10.00 H new ATOM 0 HB3 TRP A 28 -0.484 5.494 -2.205 1.00 10.00 H new ATOM 0 HD1 TRP A 28 -0.234 4.267 -4.528 1.00 10.00 H new ATOM 0 HE1 TRP A 28 0.458 1.882 -5.252 1.00 10.00 H new ATOM 0 HE3 TRP A 28 1.691 2.649 -0.073 1.00 10.00 H new ATOM 0 HZ2 TRP A 28 1.636 -0.365 -4.044 1.00 10.00 H new ATOM 0 HZ3 TRP A 28 2.569 0.353 0.066 1.00 10.00 H new ATOM 0 HH2 TRP A 28 2.540 -1.132 -1.892 1.00 10.00 H new ATOM 402 N LEU A 29 3.627 4.746 -2.174 1.00 10.00 N ATOM 403 CA LEU A 29 4.866 4.036 -1.873 1.00 10.00 C ATOM 404 C LEU A 29 5.875 4.994 -1.256 1.00 10.00 C ATOM 405 O LEU A 29 6.634 4.629 -0.357 1.00 10.00 O ATOM 406 CB LEU A 29 5.458 3.398 -3.134 1.00 10.00 C ATOM 407 CG LEU A 29 6.712 2.547 -2.906 1.00 10.00 C ATOM 408 CD1 LEU A 29 6.354 1.234 -2.226 1.00 10.00 C ATOM 409 CD2 LEU A 29 7.435 2.289 -4.220 1.00 10.00 C ATOM 0 H LEU A 29 3.453 4.898 -3.168 1.00 10.00 H new ATOM 0 HA LEU A 29 4.638 3.240 -1.164 1.00 10.00 H new ATOM 0 HB2 LEU A 29 4.695 2.774 -3.599 1.00 10.00 H new ATOM 0 HB3 LEU A 29 5.699 4.189 -3.844 1.00 10.00 H new ATOM 0 HG LEU A 29 7.383 3.101 -2.250 1.00 10.00 H new ATOM 0 HD11 LEU A 29 7.258 0.645 -2.073 1.00 10.00 H new ATOM 0 HD12 LEU A 29 5.887 1.439 -1.262 1.00 10.00 H new ATOM 0 HD13 LEU A 29 5.659 0.676 -2.854 1.00 10.00 H new ATOM 0 HD21 LEU A 29 8.322 1.683 -4.034 1.00 10.00 H new ATOM 0 HD22 LEU A 29 6.771 1.760 -4.903 1.00 10.00 H new ATOM 0 HD23 LEU A 29 7.731 3.239 -4.665 1.00 10.00 H new ATOM 421 N THR A 30 5.854 6.239 -1.725 1.00 10.00 N ATOM 422 CA THR A 30 6.756 7.262 -1.218 1.00 10.00 C ATOM 423 C THR A 30 6.399 7.621 0.228 1.00 10.00 C ATOM 424 O THR A 30 7.208 8.201 0.954 1.00 10.00 O ATOM 425 CB THR A 30 6.732 8.528 -2.112 1.00 10.00 C ATOM 426 OG1 THR A 30 7.896 9.331 -1.872 1.00 10.00 O ATOM 427 CG2 THR A 30 5.477 9.361 -1.870 1.00 10.00 C ATOM 0 H THR A 30 5.220 6.561 -2.456 1.00 10.00 H new ATOM 0 HA THR A 30 7.768 6.857 -1.240 1.00 10.00 H new ATOM 0 HB THR A 30 6.727 8.196 -3.150 1.00 10.00 H new ATOM 0 HG1 THR A 30 7.869 10.126 -2.444 1.00 10.00 H new ATOM 0 HG21 THR A 30 5.494 10.240 -2.514 1.00 10.00 H new ATOM 0 HG22 THR A 30 4.594 8.763 -2.096 1.00 10.00 H new ATOM 0 HG23 THR A 30 5.445 9.676 -0.827 1.00 10.00 H new ATOM 435 N ARG A 31 5.183 7.265 0.633 1.00 10.00 N ATOM 436 CA ARG A 31 4.713 7.521 1.989 1.00 10.00 C ATOM 437 C ARG A 31 4.970 6.297 2.853 1.00 10.00 C ATOM 438 O ARG A 31 5.312 6.411 4.028 1.00 10.00 O ATOM 439 CB ARG A 31 3.217 7.848 1.987 1.00 10.00 C ATOM 440 CG ARG A 31 2.888 9.227 1.443 1.00 10.00 C ATOM 441 CD ARG A 31 3.105 10.307 2.489 1.00 10.00 C ATOM 442 NE ARG A 31 1.947 11.190 2.592 1.00 10.00 N ATOM 443 CZ ARG A 31 1.923 12.449 2.159 1.00 10.00 C ATOM 444 NH1 ARG A 31 3.019 13.004 1.646 1.00 10.00 N ATOM 445 NH2 ARG A 31 0.807 13.162 2.259 1.00 10.00 N ATOM 0 H ARG A 31 4.502 6.795 0.036 1.00 10.00 H new ATOM 0 HA ARG A 31 5.254 8.376 2.394 1.00 10.00 H new ATOM 0 HB2 ARG A 31 2.693 7.100 1.393 1.00 10.00 H new ATOM 0 HB3 ARG A 31 2.837 7.770 3.006 1.00 10.00 H new ATOM 0 HG2 ARG A 31 3.510 9.433 0.572 1.00 10.00 H new ATOM 0 HG3 ARG A 31 1.851 9.248 1.107 1.00 10.00 H new ATOM 0 HD2 ARG A 31 3.299 9.844 3.457 1.00 10.00 H new ATOM 0 HD3 ARG A 31 3.988 10.892 2.232 1.00 10.00 H new ATOM 0 HE ARG A 31 1.101 10.818 3.024 1.00 10.00 H new ATOM 0 HH11 ARG A 31 3.882 12.464 1.583 1.00 10.00 H new ATOM 0 HH12 ARG A 31 2.995 13.969 1.316 1.00 10.00 H new ATOM 0 HH21 ARG A 31 -0.030 12.745 2.667 1.00 10.00 H new ATOM 0 HH22 ARG A 31 0.787 14.127 1.928 1.00 10.00 H new ATOM 459 N LEU A 32 4.807 5.130 2.244 1.00 10.00 N ATOM 460 CA LEU A 32 5.019 3.858 2.924 1.00 10.00 C ATOM 461 C LEU A 32 6.438 3.764 3.472 1.00 10.00 C ATOM 462 O LEU A 32 6.654 3.283 4.580 1.00 10.00 O ATOM 463 CB LEU A 32 4.759 2.703 1.948 1.00 10.00 C ATOM 464 CG LEU A 32 4.722 1.310 2.575 1.00 10.00 C ATOM 465 CD1 LEU A 32 3.290 0.907 2.899 1.00 10.00 C ATOM 466 CD2 LEU A 32 5.369 0.291 1.648 1.00 10.00 C ATOM 0 H LEU A 32 4.525 5.038 1.268 1.00 10.00 H new ATOM 0 HA LEU A 32 4.324 3.793 3.761 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.809 2.882 1.445 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.533 2.717 1.181 1.00 10.00 H new ATOM 0 HG LEU A 32 5.289 1.336 3.506 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.284 -0.088 3.345 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.861 1.622 3.601 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.699 0.898 1.983 1.00 10.00 H new ATOM 0 HD21 LEU A 32 5.334 -0.695 2.110 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.830 0.267 0.701 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.407 0.570 1.468 1.00 10.00 H new ATOM 478 N LEU A 33 7.397 4.251 2.695 1.00 10.00 N ATOM 479 CA LEU A 33 8.803 4.221 3.092 1.00 10.00 C ATOM 480 C LEU A 33 9.080 5.150 4.274 1.00 10.00 C ATOM 481 O LEU A 33 10.162 5.123 4.856 1.00 10.00 O ATOM 482 CB LEU A 33 9.690 4.622 1.911 1.00 10.00 C ATOM 483 CG LEU A 33 9.631 3.692 0.698 1.00 10.00 C ATOM 484 CD1 LEU A 33 10.490 4.245 -0.429 1.00 10.00 C ATOM 485 CD2 LEU A 33 10.082 2.286 1.073 1.00 10.00 C ATOM 0 H LEU A 33 7.228 4.674 1.782 1.00 10.00 H new ATOM 0 HA LEU A 33 9.034 3.202 3.401 1.00 10.00 H new ATOM 0 HB2 LEU A 33 9.408 5.625 1.592 1.00 10.00 H new ATOM 0 HB3 LEU A 33 10.723 4.675 2.256 1.00 10.00 H new ATOM 0 HG LEU A 33 8.598 3.636 0.355 1.00 10.00 H new ATOM 0 HD11 LEU A 33 10.440 3.575 -1.287 1.00 10.00 H new ATOM 0 HD12 LEU A 33 10.123 5.230 -0.716 1.00 10.00 H new ATOM 0 HD13 LEU A 33 11.523 4.327 -0.092 1.00 10.00 H new ATOM 0 HD21 LEU A 33 10.032 1.642 0.195 1.00 10.00 H new ATOM 0 HD22 LEU A 33 11.107 2.319 1.441 1.00 10.00 H new ATOM 0 HD23 LEU A 33 9.430 1.890 1.851 1.00 10.00 H new ATOM 497 N GLN A 34 8.106 5.977 4.624 1.00 10.00 N ATOM 498 CA GLN A 34 8.260 6.908 5.731 1.00 10.00 C ATOM 499 C GLN A 34 7.705 6.313 7.021 1.00 10.00 C ATOM 500 O GLN A 34 8.408 6.213 8.027 1.00 10.00 O ATOM 501 CB GLN A 34 7.544 8.228 5.426 1.00 10.00 C ATOM 502 CG GLN A 34 7.931 8.850 4.093 1.00 10.00 C ATOM 503 CD GLN A 34 9.421 9.091 3.963 1.00 10.00 C ATOM 504 OE1 GLN A 34 10.106 9.391 4.942 1.00 10.00 O ATOM 505 NE2 GLN A 34 9.928 8.963 2.753 1.00 10.00 N ATOM 0 H GLN A 34 7.200 6.022 4.157 1.00 10.00 H new ATOM 0 HA GLN A 34 9.325 7.100 5.861 1.00 10.00 H new ATOM 0 HB2 GLN A 34 6.468 8.056 5.436 1.00 10.00 H new ATOM 0 HB3 GLN A 34 7.760 8.939 6.223 1.00 10.00 H new ATOM 0 HG2 GLN A 34 7.602 8.197 3.284 1.00 10.00 H new ATOM 0 HG3 GLN A 34 7.404 9.796 3.973 1.00 10.00 H new ATOM 0 HE21 GLN A 34 9.323 8.713 1.971 1.00 10.00 H new ATOM 0 HE22 GLN A 34 10.925 9.114 2.599 1.00 10.00 H new ATOM 514 N THR A 35 6.446 5.898 6.976 1.00 10.00 N ATOM 515 CA THR A 35 5.778 5.341 8.142 1.00 10.00 C ATOM 516 C THR A 35 6.200 3.898 8.421 1.00 10.00 C ATOM 517 O THR A 35 6.294 3.486 9.577 1.00 10.00 O ATOM 518 CB THR A 35 4.252 5.398 7.962 1.00 10.00 C ATOM 519 OG1 THR A 35 3.937 6.051 6.722 1.00 10.00 O ATOM 520 CG2 THR A 35 3.596 6.146 9.115 1.00 10.00 C ATOM 0 H THR A 35 5.865 5.938 6.139 1.00 10.00 H new ATOM 0 HA THR A 35 6.076 5.949 8.996 1.00 10.00 H new ATOM 0 HB THR A 35 3.868 4.378 7.950 1.00 10.00 H new ATOM 0 HG1 THR A 35 3.434 5.437 6.147 1.00 10.00 H new ATOM 0 HG21 THR A 35 2.517 6.173 8.964 1.00 10.00 H new ATOM 0 HG22 THR A 35 3.819 5.637 10.053 1.00 10.00 H new ATOM 0 HG23 THR A 35 3.982 7.165 9.154 1.00 10.00 H new ATOM 528 N LYS A 36 6.469 3.135 7.371 1.00 10.00 N ATOM 529 CA LYS A 36 6.866 1.739 7.532 1.00 10.00 C ATOM 530 C LYS A 36 8.382 1.596 7.508 1.00 10.00 C ATOM 531 O LYS A 36 8.902 0.477 7.551 1.00 10.00 O ATOM 532 CB LYS A 36 6.241 0.862 6.440 1.00 10.00 C ATOM 533 CG LYS A 36 4.804 0.453 6.728 1.00 10.00 C ATOM 534 CD LYS A 36 3.832 1.597 6.481 1.00 10.00 C ATOM 535 CE LYS A 36 2.396 1.163 6.718 1.00 10.00 C ATOM 536 NZ LYS A 36 2.093 1.030 8.166 1.00 10.00 N ATOM 0 H LYS A 36 6.421 3.454 6.403 1.00 10.00 H new ATOM 0 HA LYS A 36 6.500 1.403 8.502 1.00 10.00 H new ATOM 0 HB2 LYS A 36 6.273 1.400 5.493 1.00 10.00 H new ATOM 0 HB3 LYS A 36 6.847 -0.036 6.317 1.00 10.00 H new ATOM 0 HG2 LYS A 36 4.534 -0.396 6.099 1.00 10.00 H new ATOM 0 HG3 LYS A 36 4.721 0.122 7.763 1.00 10.00 H new ATOM 0 HD2 LYS A 36 4.075 2.432 7.139 1.00 10.00 H new ATOM 0 HD3 LYS A 36 3.941 1.955 5.457 1.00 10.00 H new ATOM 0 HE2 LYS A 36 1.718 1.889 6.270 1.00 10.00 H new ATOM 0 HE3 LYS A 36 2.217 0.210 6.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 1.074 0.866 8.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 2.625 0.228 8.560 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 2.367 1.903 8.660 1.00 10.00 H new ATOM 550 N ASN A 37 9.074 2.740 7.448 1.00 10.00 N ATOM 551 CA ASN A 37 10.543 2.792 7.418 1.00 10.00 C ATOM 552 C ASN A 37 11.079 2.350 6.055 1.00 10.00 C ATOM 553 O ASN A 37 10.368 1.734 5.260 1.00 10.00 O ATOM 554 CB ASN A 37 11.150 1.929 8.540 1.00 10.00 C ATOM 555 CG ASN A 37 12.659 2.057 8.639 1.00 10.00 C ATOM 556 OD1 ASN A 37 13.222 3.131 8.427 1.00 10.00 O ATOM 557 ND2 ASN A 37 13.327 0.960 8.954 1.00 10.00 N ATOM 0 H ASN A 37 8.631 3.658 7.419 1.00 10.00 H new ATOM 0 HA ASN A 37 10.841 3.827 7.584 1.00 10.00 H new ATOM 0 HB2 ASN A 37 10.704 2.215 9.492 1.00 10.00 H new ATOM 0 HB3 ASN A 37 10.890 0.884 8.368 1.00 10.00 H new ATOM 0 HD21 ASN A 37 14.344 0.986 9.028 1.00 10.00 H new ATOM 0 HD22 ASN A 37 12.825 0.088 9.123 1.00 10.00 H new ATOM 564 N TYR A 38 12.342 2.671 5.790 1.00 10.00 N ATOM 565 CA TYR A 38 12.993 2.316 4.531 1.00 10.00 C ATOM 566 C TYR A 38 13.491 0.873 4.565 1.00 10.00 C ATOM 567 O TYR A 38 14.538 0.549 4.006 1.00 10.00 O ATOM 568 CB TYR A 38 14.163 3.260 4.257 1.00 10.00 C ATOM 569 CG TYR A 38 13.752 4.694 3.994 1.00 10.00 C ATOM 570 CD1 TYR A 38 13.392 5.115 2.717 1.00 10.00 C ATOM 571 CD2 TYR A 38 13.737 5.630 5.020 1.00 10.00 C ATOM 572 CE1 TYR A 38 13.032 6.429 2.475 1.00 10.00 C ATOM 573 CE2 TYR A 38 13.374 6.944 4.786 1.00 10.00 C ATOM 574 CZ TYR A 38 13.024 7.338 3.511 1.00 10.00 C ATOM 575 OH TYR A 38 12.670 8.650 3.270 1.00 10.00 O ATOM 0 H TYR A 38 12.941 3.182 6.438 1.00 10.00 H new ATOM 0 HA TYR A 38 12.259 2.412 3.731 1.00 10.00 H new ATOM 0 HB2 TYR A 38 14.841 3.238 5.110 1.00 10.00 H new ATOM 0 HB3 TYR A 38 14.721 2.890 3.397 1.00 10.00 H new ATOM 0 HD1 TYR A 38 13.394 4.405 1.903 1.00 10.00 H new ATOM 0 HD2 TYR A 38 14.014 5.326 6.019 1.00 10.00 H new ATOM 0 HE1 TYR A 38 12.758 6.741 1.478 1.00 10.00 H new ATOM 0 HE2 TYR A 38 13.365 7.657 5.597 1.00 10.00 H new ATOM 0 HH TYR A 38 12.161 8.997 4.032 1.00 10.00 H new ATOM 585 N ASP A 39 12.729 0.005 5.213 1.00 10.00 N ATOM 586 CA ASP A 39 13.094 -1.398 5.326 1.00 10.00 C ATOM 587 C ASP A 39 12.426 -2.196 4.218 1.00 10.00 C ATOM 588 O ASP A 39 11.234 -2.514 4.292 1.00 10.00 O ATOM 589 CB ASP A 39 12.696 -1.950 6.695 1.00 10.00 C ATOM 590 CG ASP A 39 13.504 -3.174 7.077 1.00 10.00 C ATOM 591 OD1 ASP A 39 13.436 -4.190 6.351 1.00 10.00 O ATOM 592 OD2 ASP A 39 14.215 -3.125 8.106 1.00 10.00 O ATOM 0 H ASP A 39 11.851 0.249 5.670 1.00 10.00 H new ATOM 0 HA ASP A 39 14.176 -1.488 5.225 1.00 10.00 H new ATOM 0 HB2 ASP A 39 12.833 -1.176 7.450 1.00 10.00 H new ATOM 0 HB3 ASP A 39 11.636 -2.204 6.688 1.00 10.00 H new ATOM 597 N ILE A 40 13.201 -2.507 3.192 1.00 10.00 N ATOM 598 CA ILE A 40 12.710 -3.255 2.040 1.00 10.00 C ATOM 599 C ILE A 40 12.125 -4.608 2.446 1.00 10.00 C ATOM 600 O ILE A 40 11.067 -5.010 1.956 1.00 10.00 O ATOM 601 CB ILE A 40 13.837 -3.474 1.007 1.00 10.00 C ATOM 602 CG1 ILE A 40 14.358 -2.130 0.487 1.00 10.00 C ATOM 603 CG2 ILE A 40 13.359 -4.337 -0.149 1.00 10.00 C ATOM 604 CD1 ILE A 40 15.658 -1.685 1.126 1.00 10.00 C ATOM 0 H ILE A 40 14.186 -2.250 3.131 1.00 10.00 H new ATOM 0 HA ILE A 40 11.916 -2.658 1.591 1.00 10.00 H new ATOM 0 HB ILE A 40 14.653 -3.996 1.506 1.00 10.00 H new ATOM 0 HG12 ILE A 40 14.500 -2.200 -0.591 1.00 10.00 H new ATOM 0 HG13 ILE A 40 13.600 -1.366 0.660 1.00 10.00 H new ATOM 0 HG21 ILE A 40 14.173 -4.475 -0.861 1.00 10.00 H new ATOM 0 HG22 ILE A 40 13.040 -5.308 0.230 1.00 10.00 H new ATOM 0 HG23 ILE A 40 12.521 -3.848 -0.646 1.00 10.00 H new ATOM 0 HD11 ILE A 40 15.961 -0.726 0.705 1.00 10.00 H new ATOM 0 HD12 ILE A 40 15.518 -1.581 2.202 1.00 10.00 H new ATOM 0 HD13 ILE A 40 16.432 -2.427 0.931 1.00 10.00 H new ATOM 616 N GLY A 41 12.810 -5.294 3.357 1.00 10.00 N ATOM 617 CA GLY A 41 12.355 -6.596 3.816 1.00 10.00 C ATOM 618 C GLY A 41 10.970 -6.538 4.418 1.00 10.00 C ATOM 619 O GLY A 41 10.095 -7.336 4.071 1.00 10.00 O ATOM 0 H GLY A 41 13.676 -4.970 3.787 1.00 10.00 H new ATOM 0 HA2 GLY A 41 12.357 -7.295 2.980 1.00 10.00 H new ATOM 0 HA3 GLY A 41 13.055 -6.983 4.556 1.00 10.00 H new ATOM 623 N ALA A 42 10.768 -5.576 5.312 1.00 10.00 N ATOM 624 CA ALA A 42 9.480 -5.394 5.968 1.00 10.00 C ATOM 625 C ALA A 42 8.399 -5.042 4.952 1.00 10.00 C ATOM 626 O ALA A 42 7.282 -5.559 5.011 1.00 10.00 O ATOM 627 CB ALA A 42 9.579 -4.305 7.026 1.00 10.00 C ATOM 0 H ALA A 42 11.484 -4.908 5.599 1.00 10.00 H new ATOM 0 HA ALA A 42 9.206 -6.333 6.449 1.00 10.00 H new ATOM 0 HB1 ALA A 42 8.610 -4.178 7.509 1.00 10.00 H new ATOM 0 HB2 ALA A 42 10.322 -4.588 7.771 1.00 10.00 H new ATOM 0 HB3 ALA A 42 9.876 -3.367 6.556 1.00 10.00 H new ATOM 633 N ALA A 43 8.751 -4.173 4.010 1.00 10.00 N ATOM 634 CA ALA A 43 7.823 -3.728 2.975 1.00 10.00 C ATOM 635 C ALA A 43 7.308 -4.891 2.126 1.00 10.00 C ATOM 636 O ALA A 43 6.108 -5.000 1.868 1.00 10.00 O ATOM 637 CB ALA A 43 8.490 -2.688 2.086 1.00 10.00 C ATOM 0 H ALA A 43 9.681 -3.759 3.942 1.00 10.00 H new ATOM 0 HA ALA A 43 6.964 -3.283 3.476 1.00 10.00 H new ATOM 0 HB1 ALA A 43 7.789 -2.363 1.317 1.00 10.00 H new ATOM 0 HB2 ALA A 43 8.789 -1.831 2.690 1.00 10.00 H new ATOM 0 HB3 ALA A 43 9.370 -3.124 1.613 1.00 10.00 H new ATOM 643 N LEU A 44 8.221 -5.758 1.709 1.00 10.00 N ATOM 644 CA LEU A 44 7.881 -6.914 0.882 1.00 10.00 C ATOM 645 C LEU A 44 6.889 -7.835 1.585 1.00 10.00 C ATOM 646 O LEU A 44 5.948 -8.339 0.972 1.00 10.00 O ATOM 647 CB LEU A 44 9.147 -7.694 0.527 1.00 10.00 C ATOM 648 CG LEU A 44 9.667 -7.488 -0.898 1.00 10.00 C ATOM 649 CD1 LEU A 44 9.984 -6.024 -1.155 1.00 10.00 C ATOM 650 CD2 LEU A 44 10.898 -8.345 -1.134 1.00 10.00 C ATOM 0 H LEU A 44 9.214 -5.683 1.932 1.00 10.00 H new ATOM 0 HA LEU A 44 7.411 -6.544 -0.029 1.00 10.00 H new ATOM 0 HB2 LEU A 44 9.934 -7.414 1.227 1.00 10.00 H new ATOM 0 HB3 LEU A 44 8.952 -8.756 0.675 1.00 10.00 H new ATOM 0 HG LEU A 44 8.886 -7.792 -1.595 1.00 10.00 H new ATOM 0 HD11 LEU A 44 10.352 -5.905 -2.174 1.00 10.00 H new ATOM 0 HD12 LEU A 44 9.081 -5.428 -1.023 1.00 10.00 H new ATOM 0 HD13 LEU A 44 10.747 -5.688 -0.453 1.00 10.00 H new ATOM 0 HD21 LEU A 44 11.259 -8.191 -2.151 1.00 10.00 H new ATOM 0 HD22 LEU A 44 11.677 -8.065 -0.425 1.00 10.00 H new ATOM 0 HD23 LEU A 44 10.642 -9.395 -0.996 1.00 10.00 H new ATOM 662 N ASP A 45 7.097 -8.040 2.878 1.00 10.00 N ATOM 663 CA ASP A 45 6.225 -8.911 3.663 1.00 10.00 C ATOM 664 C ASP A 45 4.894 -8.233 3.970 1.00 10.00 C ATOM 665 O ASP A 45 3.896 -8.897 4.248 1.00 10.00 O ATOM 666 CB ASP A 45 6.915 -9.330 4.962 1.00 10.00 C ATOM 667 CG ASP A 45 6.120 -10.366 5.725 1.00 10.00 C ATOM 668 OD1 ASP A 45 6.189 -11.558 5.359 1.00 10.00 O ATOM 669 OD2 ASP A 45 5.423 -9.995 6.695 1.00 10.00 O ATOM 0 H ASP A 45 7.860 -7.617 3.407 1.00 10.00 H new ATOM 0 HA ASP A 45 6.022 -9.801 3.067 1.00 10.00 H new ATOM 0 HB2 ASP A 45 7.903 -9.729 4.734 1.00 10.00 H new ATOM 0 HB3 ASP A 45 7.063 -8.453 5.592 1.00 10.00 H new ATOM 674 N THR A 46 4.880 -6.913 3.900 1.00 10.00 N ATOM 675 CA THR A 46 3.673 -6.146 4.175 1.00 10.00 C ATOM 676 C THR A 46 2.570 -6.463 3.161 1.00 10.00 C ATOM 677 O THR A 46 1.391 -6.494 3.508 1.00 10.00 O ATOM 678 CB THR A 46 3.963 -4.628 4.166 1.00 10.00 C ATOM 679 OG1 THR A 46 4.943 -4.308 5.165 1.00 10.00 O ATOM 680 CG2 THR A 46 2.701 -3.815 4.425 1.00 10.00 C ATOM 0 H THR A 46 5.692 -6.347 3.655 1.00 10.00 H new ATOM 0 HA THR A 46 3.330 -6.434 5.169 1.00 10.00 H new ATOM 0 HB THR A 46 4.341 -4.372 3.176 1.00 10.00 H new ATOM 0 HG1 THR A 46 5.835 -4.549 4.837 1.00 10.00 H new ATOM 0 HG21 THR A 46 2.944 -2.752 4.411 1.00 10.00 H new ATOM 0 HG22 THR A 46 1.965 -4.029 3.650 1.00 10.00 H new ATOM 0 HG23 THR A 46 2.290 -4.081 5.399 1.00 10.00 H new ATOM 688 N ILE A 47 2.961 -6.729 1.920 1.00 10.00 N ATOM 689 CA ILE A 47 1.990 -7.023 0.871 1.00 10.00 C ATOM 690 C ILE A 47 2.043 -8.484 0.420 1.00 10.00 C ATOM 691 O ILE A 47 1.537 -8.816 -0.652 1.00 10.00 O ATOM 692 CB ILE A 47 2.200 -6.107 -0.354 1.00 10.00 C ATOM 693 CG1 ILE A 47 3.589 -6.332 -0.955 1.00 10.00 C ATOM 694 CG2 ILE A 47 2.017 -4.644 0.038 1.00 10.00 C ATOM 695 CD1 ILE A 47 3.719 -5.835 -2.381 1.00 10.00 C ATOM 0 H ILE A 47 3.935 -6.747 1.616 1.00 10.00 H new ATOM 0 HA ILE A 47 1.008 -6.835 1.305 1.00 10.00 H new ATOM 0 HB ILE A 47 1.453 -6.357 -1.107 1.00 10.00 H new ATOM 0 HG12 ILE A 47 4.330 -5.829 -0.334 1.00 10.00 H new ATOM 0 HG13 ILE A 47 3.820 -7.397 -0.927 1.00 10.00 H new ATOM 0 HG21 ILE A 47 2.168 -4.011 -0.837 1.00 10.00 H new ATOM 0 HG22 ILE A 47 1.009 -4.494 0.424 1.00 10.00 H new ATOM 0 HG23 ILE A 47 2.743 -4.380 0.807 1.00 10.00 H new ATOM 0 HD11 ILE A 47 4.729 -6.027 -2.743 1.00 10.00 H new ATOM 0 HD12 ILE A 47 3.001 -6.356 -3.015 1.00 10.00 H new ATOM 0 HD13 ILE A 47 3.520 -4.764 -2.413 1.00 10.00 H new ATOM 707 N GLN A 48 2.658 -9.342 1.242 1.00 10.00 N ATOM 708 CA GLN A 48 2.782 -10.782 0.957 1.00 10.00 C ATOM 709 C GLN A 48 3.751 -11.073 -0.191 1.00 10.00 C ATOM 710 O GLN A 48 4.649 -11.902 -0.050 1.00 10.00 O ATOM 711 CB GLN A 48 1.415 -11.411 0.649 1.00 10.00 C ATOM 712 CG GLN A 48 0.658 -11.876 1.881 1.00 10.00 C ATOM 713 CD GLN A 48 1.254 -13.131 2.489 1.00 10.00 C ATOM 714 OE1 GLN A 48 1.862 -13.945 1.791 1.00 10.00 O ATOM 715 NE2 GLN A 48 1.069 -13.307 3.787 1.00 10.00 N ATOM 0 H GLN A 48 3.085 -9.061 2.125 1.00 10.00 H new ATOM 0 HA GLN A 48 3.189 -11.233 1.862 1.00 10.00 H new ATOM 0 HB2 GLN A 48 0.805 -10.684 0.113 1.00 10.00 H new ATOM 0 HB3 GLN A 48 1.559 -12.261 -0.018 1.00 10.00 H new ATOM 0 HG2 GLN A 48 0.658 -11.080 2.626 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -0.382 -12.064 1.615 1.00 10.00 H new ATOM 0 HE21 GLN A 48 0.560 -12.609 4.329 1.00 10.00 H new ATOM 0 HE22 GLN A 48 1.436 -14.141 4.246 1.00 10.00 H new ATOM 724 N TYR A 49 3.558 -10.398 -1.318 1.00 10.00 N ATOM 725 CA TYR A 49 4.402 -10.584 -2.493 1.00 10.00 C ATOM 726 C TYR A 49 5.853 -10.225 -2.191 1.00 10.00 C ATOM 727 O TYR A 49 6.204 -9.054 -2.070 1.00 10.00 O ATOM 728 CB TYR A 49 3.888 -9.725 -3.653 1.00 10.00 C ATOM 729 CG TYR A 49 2.452 -10.003 -4.041 1.00 10.00 C ATOM 730 CD1 TYR A 49 2.102 -11.188 -4.677 1.00 10.00 C ATOM 731 CD2 TYR A 49 1.445 -9.075 -3.783 1.00 10.00 C ATOM 732 CE1 TYR A 49 0.793 -11.439 -5.044 1.00 10.00 C ATOM 733 CE2 TYR A 49 0.133 -9.324 -4.146 1.00 10.00 C ATOM 734 CZ TYR A 49 -0.186 -10.506 -4.776 1.00 10.00 C ATOM 735 OH TYR A 49 -1.490 -10.758 -5.139 1.00 10.00 O ATOM 0 H TYR A 49 2.816 -9.709 -1.443 1.00 10.00 H new ATOM 0 HA TYR A 49 4.359 -11.636 -2.774 1.00 10.00 H new ATOM 0 HB2 TYR A 49 3.982 -8.674 -3.382 1.00 10.00 H new ATOM 0 HB3 TYR A 49 4.526 -9.888 -4.522 1.00 10.00 H new ATOM 0 HD1 TYR A 49 2.864 -11.924 -4.888 1.00 10.00 H new ATOM 0 HD2 TYR A 49 1.693 -8.146 -3.291 1.00 10.00 H new ATOM 0 HE1 TYR A 49 0.538 -12.364 -5.540 1.00 10.00 H new ATOM 0 HE2 TYR A 49 -0.636 -8.595 -3.936 1.00 10.00 H new ATOM 0 HH TYR A 49 -2.055 -10.001 -4.878 1.00 10.00 H new ATOM 745 N SER A 50 6.691 -11.239 -2.051 1.00 10.00 N ATOM 746 CA SER A 50 8.103 -11.032 -1.769 1.00 10.00 C ATOM 747 C SER A 50 8.970 -11.844 -2.727 1.00 10.00 C ATOM 748 O SER A 50 10.103 -11.466 -3.029 1.00 10.00 O ATOM 749 CB SER A 50 8.408 -11.420 -0.321 1.00 10.00 C ATOM 750 OG SER A 50 7.436 -10.885 0.569 1.00 10.00 O ATOM 0 H SER A 50 6.417 -12.218 -2.128 1.00 10.00 H new ATOM 0 HA SER A 50 8.334 -9.976 -1.911 1.00 10.00 H new ATOM 0 HB2 SER A 50 8.431 -12.506 -0.229 1.00 10.00 H new ATOM 0 HB3 SER A 50 9.398 -11.056 -0.045 1.00 10.00 H new ATOM 0 HG SER A 50 6.580 -11.341 0.431 1.00 10.00 H new ATOM 756 N LYS A 51 8.426 -12.953 -3.211 1.00 10.00 N ATOM 757 CA LYS A 51 9.149 -13.819 -4.129 1.00 10.00 C ATOM 758 C LYS A 51 8.693 -13.584 -5.565 1.00 10.00 C ATOM 759 O LYS A 51 9.514 -13.390 -6.461 1.00 10.00 O ATOM 760 CB LYS A 51 8.942 -15.289 -3.745 1.00 10.00 C ATOM 761 CG LYS A 51 9.429 -15.631 -2.345 1.00 10.00 C ATOM 762 CD LYS A 51 8.842 -16.946 -1.847 1.00 10.00 C ATOM 763 CE LYS A 51 9.506 -18.147 -2.505 1.00 10.00 C ATOM 764 NZ LYS A 51 8.692 -18.705 -3.619 1.00 10.00 N ATOM 0 H LYS A 51 7.485 -13.273 -2.982 1.00 10.00 H new ATOM 0 HA LYS A 51 10.210 -13.581 -4.060 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.881 -15.529 -3.819 1.00 10.00 H new ATOM 0 HB3 LYS A 51 9.463 -15.920 -4.465 1.00 10.00 H new ATOM 0 HG2 LYS A 51 10.517 -15.695 -2.344 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.157 -14.829 -1.659 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.962 -17.011 -0.766 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.771 -16.966 -2.050 1.00 10.00 H new ATOM 0 HE2 LYS A 51 10.485 -17.855 -2.885 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.673 -18.922 -1.757 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.186 -19.520 -4.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 7.767 -19.009 -3.254 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.554 -17.976 -4.347 1.00 10.00 H new ATOM 778 N HIS A 52 7.382 -13.601 -5.772 1.00 10.00 N ATOM 779 CA HIS A 52 6.803 -13.392 -7.090 1.00 10.00 C ATOM 780 C HIS A 52 5.315 -13.105 -6.954 1.00 10.00 C ATOM 781 O HIS A 52 4.723 -12.527 -7.891 1.00 10.00 O ATOM 782 CB HIS A 52 7.021 -14.621 -7.977 1.00 10.00 C ATOM 783 CG HIS A 52 7.000 -14.310 -9.441 1.00 10.00 C ATOM 784 ND1 HIS A 52 5.987 -13.606 -10.042 1.00 10.00 N ATOM 785 CD2 HIS A 52 7.884 -14.604 -10.421 1.00 10.00 C ATOM 786 CE1 HIS A 52 6.243 -13.478 -11.330 1.00 10.00 C ATOM 787 NE2 HIS A 52 7.389 -14.077 -11.588 1.00 10.00 N ATOM 788 OXT HIS A 52 4.743 -13.470 -5.904 1.00 10.00 O ATOM 0 H HIS A 52 6.695 -13.759 -5.035 1.00 10.00 H new ATOM 0 HA HIS A 52 7.295 -12.540 -7.558 1.00 10.00 H new ATOM 0 HB2 HIS A 52 7.978 -15.077 -7.724 1.00 10.00 H new ATOM 0 HB3 HIS A 52 6.249 -15.359 -7.759 1.00 10.00 H new ATOM 0 HD1 HIS A 52 5.163 -13.238 -9.566 1.00 10.00 H new ATOM 0 HD2 HIS A 52 8.808 -15.152 -10.307 1.00 10.00 H new ATOM 0 HE1 HIS A 52 5.620 -12.969 -12.050 1.00 10.00 H new TER 797 HIS A 52 ATOM 798 N GLY B 1 -17.417 19.710 3.160 1.00 10.00 N ATOM 799 CA GLY B 1 -18.105 18.546 3.768 1.00 10.00 C ATOM 800 C GLY B 1 -18.782 17.688 2.722 1.00 10.00 C ATOM 801 O GLY B 1 -18.671 17.968 1.529 1.00 10.00 O ATOM 0 H1 GLY B 1 -16.397 19.650 3.353 1.00 10.00 H new ATOM 0 H2 GLY B 1 -17.576 19.709 2.132 1.00 10.00 H new ATOM 0 H3 GLY B 1 -17.795 20.589 3.568 1.00 10.00 H new ATOM 0 HA2 GLY B 1 -17.383 17.945 4.321 1.00 10.00 H new ATOM 0 HA3 GLY B 1 -18.846 18.896 4.487 1.00 10.00 H new ATOM 807 N SER B 2 -19.476 16.648 3.160 1.00 10.00 N ATOM 808 CA SER B 2 -20.166 15.747 2.250 1.00 10.00 C ATOM 809 C SER B 2 -21.494 16.354 1.791 1.00 10.00 C ATOM 810 O SER B 2 -22.421 16.518 2.587 1.00 10.00 O ATOM 811 CB SER B 2 -20.404 14.409 2.952 1.00 10.00 C ATOM 812 OG SER B 2 -19.638 14.328 4.147 1.00 10.00 O ATOM 0 H SER B 2 -19.576 16.407 4.146 1.00 10.00 H new ATOM 0 HA SER B 2 -19.548 15.588 1.366 1.00 10.00 H new ATOM 0 HB2 SER B 2 -21.463 14.297 3.184 1.00 10.00 H new ATOM 0 HB3 SER B 2 -20.136 13.589 2.285 1.00 10.00 H new ATOM 0 HG SER B 2 -19.804 13.467 4.584 1.00 10.00 H new ATOM 818 N PRO B 3 -21.596 16.728 0.505 1.00 10.00 N ATOM 819 CA PRO B 3 -22.808 17.309 -0.052 1.00 10.00 C ATOM 820 C PRO B 3 -23.762 16.242 -0.593 1.00 10.00 C ATOM 821 O PRO B 3 -23.356 15.103 -0.831 1.00 10.00 O ATOM 822 CB PRO B 3 -22.260 18.169 -1.185 1.00 10.00 C ATOM 823 CG PRO B 3 -21.060 17.429 -1.679 1.00 10.00 C ATOM 824 CD PRO B 3 -20.526 16.629 -0.509 1.00 10.00 C ATOM 0 HA PRO B 3 -23.395 17.858 0.684 1.00 10.00 H new ATOM 0 HB2 PRO B 3 -22.998 18.298 -1.976 1.00 10.00 H new ATOM 0 HB3 PRO B 3 -21.993 19.165 -0.832 1.00 10.00 H new ATOM 0 HG2 PRO B 3 -21.325 16.772 -2.507 1.00 10.00 H new ATOM 0 HG3 PRO B 3 -20.305 18.122 -2.050 1.00 10.00 H new ATOM 0 HD2 PRO B 3 -20.334 15.593 -0.788 1.00 10.00 H new ATOM 0 HD3 PRO B 3 -19.586 17.039 -0.140 1.00 10.00 H new ATOM 832 N PRO B 4 -25.044 16.598 -0.812 1.00 10.00 N ATOM 833 CA PRO B 4 -26.055 15.665 -1.338 1.00 10.00 C ATOM 834 C PRO B 4 -25.759 15.235 -2.777 1.00 10.00 C ATOM 835 O PRO B 4 -26.481 14.428 -3.356 1.00 10.00 O ATOM 836 CB PRO B 4 -27.362 16.471 -1.288 1.00 10.00 C ATOM 837 CG PRO B 4 -27.085 17.625 -0.387 1.00 10.00 C ATOM 838 CD PRO B 4 -25.622 17.925 -0.538 1.00 10.00 C ATOM 0 HA PRO B 4 -26.086 14.742 -0.759 1.00 10.00 H new ATOM 0 HB2 PRO B 4 -27.652 16.810 -2.282 1.00 10.00 H new ATOM 0 HB3 PRO B 4 -28.183 15.864 -0.907 1.00 10.00 H new ATOM 0 HG2 PRO B 4 -27.691 18.489 -0.661 1.00 10.00 H new ATOM 0 HG3 PRO B 4 -27.329 17.380 0.647 1.00 10.00 H new ATOM 0 HD2 PRO B 4 -25.434 18.624 -1.353 1.00 10.00 H new ATOM 0 HD3 PRO B 4 -25.205 18.369 0.366 1.00 10.00 H new ATOM 846 N GLU B 5 -24.693 15.782 -3.346 1.00 10.00 N ATOM 847 CA GLU B 5 -24.298 15.465 -4.710 1.00 10.00 C ATOM 848 C GLU B 5 -23.525 14.151 -4.763 1.00 10.00 C ATOM 849 O GLU B 5 -23.331 13.578 -5.836 1.00 10.00 O ATOM 850 CB GLU B 5 -23.444 16.599 -5.275 1.00 10.00 C ATOM 851 CG GLU B 5 -24.123 17.956 -5.222 1.00 10.00 C ATOM 852 CD GLU B 5 -25.172 18.125 -6.303 1.00 10.00 C ATOM 853 OE1 GLU B 5 -24.804 18.494 -7.439 1.00 10.00 O ATOM 854 OE2 GLU B 5 -26.366 17.891 -6.026 1.00 10.00 O ATOM 0 H GLU B 5 -24.083 16.453 -2.879 1.00 10.00 H new ATOM 0 HA GLU B 5 -25.198 15.353 -5.314 1.00 10.00 H new ATOM 0 HB2 GLU B 5 -22.507 16.649 -4.719 1.00 10.00 H new ATOM 0 HB3 GLU B 5 -23.189 16.370 -6.310 1.00 10.00 H new ATOM 0 HG2 GLU B 5 -24.589 18.087 -4.245 1.00 10.00 H new ATOM 0 HG3 GLU B 5 -23.371 18.739 -5.325 1.00 10.00 H new ATOM 861 N ALA B 6 -23.085 13.678 -3.606 1.00 10.00 N ATOM 862 CA ALA B 6 -22.331 12.435 -3.528 1.00 10.00 C ATOM 863 C ALA B 6 -23.256 11.257 -3.241 1.00 10.00 C ATOM 864 O ALA B 6 -24.261 11.401 -2.542 1.00 10.00 O ATOM 865 CB ALA B 6 -21.247 12.533 -2.466 1.00 10.00 C ATOM 0 H ALA B 6 -23.237 14.136 -2.708 1.00 10.00 H new ATOM 0 HA ALA B 6 -21.854 12.266 -4.493 1.00 10.00 H new ATOM 0 HB1 ALA B 6 -20.694 11.595 -2.423 1.00 10.00 H new ATOM 0 HB2 ALA B 6 -20.564 13.345 -2.717 1.00 10.00 H new ATOM 0 HB3 ALA B 6 -21.704 12.730 -1.496 1.00 10.00 H new ATOM 871 N ASP B 7 -22.918 10.098 -3.792 1.00 10.00 N ATOM 872 CA ASP B 7 -23.717 8.894 -3.593 1.00 10.00 C ATOM 873 C ASP B 7 -23.451 8.298 -2.212 1.00 10.00 C ATOM 874 O ASP B 7 -22.297 8.087 -1.827 1.00 10.00 O ATOM 875 CB ASP B 7 -23.414 7.858 -4.680 1.00 10.00 C ATOM 876 CG ASP B 7 -24.347 6.665 -4.606 1.00 10.00 C ATOM 877 OD1 ASP B 7 -24.035 5.699 -3.876 1.00 10.00 O ATOM 878 OD2 ASP B 7 -25.399 6.687 -5.271 1.00 10.00 O ATOM 0 H ASP B 7 -22.096 9.966 -4.381 1.00 10.00 H new ATOM 0 HA ASP B 7 -24.769 9.170 -3.659 1.00 10.00 H new ATOM 0 HB2 ASP B 7 -23.501 8.326 -5.661 1.00 10.00 H new ATOM 0 HB3 ASP B 7 -22.383 7.518 -4.579 1.00 10.00 H new ATOM 883 N PRO B 8 -24.525 8.004 -1.457 1.00 10.00 N ATOM 884 CA PRO B 8 -24.428 7.449 -0.100 1.00 10.00 C ATOM 885 C PRO B 8 -23.741 6.081 -0.046 1.00 10.00 C ATOM 886 O PRO B 8 -23.222 5.686 0.998 1.00 10.00 O ATOM 887 CB PRO B 8 -25.891 7.326 0.351 1.00 10.00 C ATOM 888 CG PRO B 8 -26.688 7.348 -0.905 1.00 10.00 C ATOM 889 CD PRO B 8 -25.925 8.209 -1.866 1.00 10.00 C ATOM 0 HA PRO B 8 -23.817 8.088 0.538 1.00 10.00 H new ATOM 0 HB2 PRO B 8 -26.056 6.403 0.906 1.00 10.00 H new ATOM 0 HB3 PRO B 8 -26.171 8.148 1.010 1.00 10.00 H new ATOM 0 HG2 PRO B 8 -26.818 6.341 -1.302 1.00 10.00 H new ATOM 0 HG3 PRO B 8 -27.685 7.751 -0.727 1.00 10.00 H new ATOM 0 HD2 PRO B 8 -26.092 7.906 -2.900 1.00 10.00 H new ATOM 0 HD3 PRO B 8 -26.218 9.256 -1.790 1.00 10.00 H new ATOM 897 N ARG B 9 -23.734 5.361 -1.159 1.00 10.00 N ATOM 898 CA ARG B 9 -23.108 4.043 -1.207 1.00 10.00 C ATOM 899 C ARG B 9 -21.646 4.171 -1.602 1.00 10.00 C ATOM 900 O ARG B 9 -20.791 3.427 -1.120 1.00 10.00 O ATOM 901 CB ARG B 9 -23.841 3.135 -2.194 1.00 10.00 C ATOM 902 CG ARG B 9 -25.323 2.978 -1.901 1.00 10.00 C ATOM 903 CD ARG B 9 -26.101 2.602 -3.153 1.00 10.00 C ATOM 904 NE ARG B 9 -25.967 3.611 -4.206 1.00 10.00 N ATOM 905 CZ ARG B 9 -26.540 3.514 -5.405 1.00 10.00 C ATOM 906 NH1 ARG B 9 -27.263 2.445 -5.711 1.00 10.00 N ATOM 907 NH2 ARG B 9 -26.387 4.488 -6.294 1.00 10.00 N ATOM 0 H ARG B 9 -24.152 5.664 -2.039 1.00 10.00 H new ATOM 0 HA ARG B 9 -23.169 3.596 -0.215 1.00 10.00 H new ATOM 0 HB2 ARG B 9 -23.720 3.536 -3.200 1.00 10.00 H new ATOM 0 HB3 ARG B 9 -23.372 2.151 -2.184 1.00 10.00 H new ATOM 0 HG2 ARG B 9 -25.465 2.212 -1.139 1.00 10.00 H new ATOM 0 HG3 ARG B 9 -25.715 3.910 -1.493 1.00 10.00 H new ATOM 0 HD2 ARG B 9 -25.747 1.641 -3.525 1.00 10.00 H new ATOM 0 HD3 ARG B 9 -27.154 2.478 -2.902 1.00 10.00 H new ATOM 0 HE ARG B 9 -25.402 4.437 -4.010 1.00 10.00 H new ATOM 0 HH11 ARG B 9 -27.381 1.696 -5.028 1.00 10.00 H new ATOM 0 HH12 ARG B 9 -27.701 2.372 -6.629 1.00 10.00 H new ATOM 0 HH21 ARG B 9 -25.831 5.310 -6.059 1.00 10.00 H new ATOM 0 HH22 ARG B 9 -26.825 4.414 -7.212 1.00 10.00 H new ATOM 921 N LEU B 10 -21.364 5.127 -2.476 1.00 10.00 N ATOM 922 CA LEU B 10 -20.006 5.371 -2.947 1.00 10.00 C ATOM 923 C LEU B 10 -19.105 5.822 -1.799 1.00 10.00 C ATOM 924 O LEU B 10 -17.953 5.409 -1.697 1.00 10.00 O ATOM 925 CB LEU B 10 -20.016 6.427 -4.054 1.00 10.00 C ATOM 926 CG LEU B 10 -18.652 6.752 -4.674 1.00 10.00 C ATOM 927 CD1 LEU B 10 -18.129 5.567 -5.479 1.00 10.00 C ATOM 928 CD2 LEU B 10 -18.752 7.994 -5.551 1.00 10.00 C ATOM 0 H LEU B 10 -22.064 5.752 -2.877 1.00 10.00 H new ATOM 0 HA LEU B 10 -19.609 4.438 -3.347 1.00 10.00 H new ATOM 0 HB2 LEU B 10 -20.684 6.090 -4.847 1.00 10.00 H new ATOM 0 HB3 LEU B 10 -20.439 7.347 -3.650 1.00 10.00 H new ATOM 0 HG LEU B 10 -17.946 6.952 -3.868 1.00 10.00 H new ATOM 0 HD11 LEU B 10 -17.160 5.819 -5.910 1.00 10.00 H new ATOM 0 HD12 LEU B 10 -18.021 4.702 -4.825 1.00 10.00 H new ATOM 0 HD13 LEU B 10 -18.832 5.332 -6.278 1.00 10.00 H new ATOM 0 HD21 LEU B 10 -17.776 8.213 -5.985 1.00 10.00 H new ATOM 0 HD22 LEU B 10 -19.473 7.818 -6.350 1.00 10.00 H new ATOM 0 HD23 LEU B 10 -19.079 8.841 -4.947 1.00 10.00 H new ATOM 940 N ILE B 11 -19.655 6.652 -0.924 1.00 10.00 N ATOM 941 CA ILE B 11 -18.912 7.173 0.217 1.00 10.00 C ATOM 942 C ILE B 11 -18.788 6.118 1.326 1.00 10.00 C ATOM 943 O ILE B 11 -18.060 6.301 2.302 1.00 10.00 O ATOM 944 CB ILE B 11 -19.584 8.457 0.766 1.00 10.00 C ATOM 945 CG1 ILE B 11 -18.658 9.185 1.744 1.00 10.00 C ATOM 946 CG2 ILE B 11 -20.917 8.130 1.429 1.00 10.00 C ATOM 947 CD1 ILE B 11 -19.156 10.554 2.151 1.00 10.00 C ATOM 0 H ILE B 11 -20.619 6.981 -0.982 1.00 10.00 H new ATOM 0 HA ILE B 11 -17.908 7.424 -0.125 1.00 10.00 H new ATOM 0 HB ILE B 11 -19.776 9.122 -0.076 1.00 10.00 H new ATOM 0 HG12 ILE B 11 -18.535 8.573 2.637 1.00 10.00 H new ATOM 0 HG13 ILE B 11 -17.673 9.287 1.289 1.00 10.00 H new ATOM 0 HG21 ILE B 11 -21.370 9.047 1.807 1.00 10.00 H new ATOM 0 HG22 ILE B 11 -21.583 7.670 0.699 1.00 10.00 H new ATOM 0 HG23 ILE B 11 -20.752 7.439 2.256 1.00 10.00 H new ATOM 0 HD11 ILE B 11 -18.448 11.008 2.844 1.00 10.00 H new ATOM 0 HD12 ILE B 11 -19.252 11.184 1.267 1.00 10.00 H new ATOM 0 HD13 ILE B 11 -20.128 10.458 2.636 1.00 10.00 H new ATOM 959 N GLU B 12 -19.485 5.001 1.162 1.00 10.00 N ATOM 960 CA GLU B 12 -19.450 3.932 2.152 1.00 10.00 C ATOM 961 C GLU B 12 -18.243 3.022 1.959 1.00 10.00 C ATOM 962 O GLU B 12 -17.874 2.271 2.864 1.00 10.00 O ATOM 963 CB GLU B 12 -20.741 3.120 2.090 1.00 10.00 C ATOM 964 CG GLU B 12 -21.770 3.555 3.115 1.00 10.00 C ATOM 965 CD GLU B 12 -21.283 3.352 4.530 1.00 10.00 C ATOM 966 OE1 GLU B 12 -20.514 4.201 5.023 1.00 10.00 O ATOM 967 OE2 GLU B 12 -21.663 2.340 5.154 1.00 10.00 O ATOM 0 H GLU B 12 -20.080 4.812 0.355 1.00 10.00 H new ATOM 0 HA GLU B 12 -19.360 4.392 3.136 1.00 10.00 H new ATOM 0 HB2 GLU B 12 -21.171 3.209 1.092 1.00 10.00 H new ATOM 0 HB3 GLU B 12 -20.508 2.066 2.243 1.00 10.00 H new ATOM 0 HG2 GLU B 12 -22.011 4.607 2.962 1.00 10.00 H new ATOM 0 HG3 GLU B 12 -22.691 2.992 2.965 1.00 10.00 H new ATOM 974 N SER B 13 -17.624 3.099 0.790 1.00 10.00 N ATOM 975 CA SER B 13 -16.453 2.284 0.496 1.00 10.00 C ATOM 976 C SER B 13 -15.312 2.609 1.462 1.00 10.00 C ATOM 977 O SER B 13 -14.475 1.755 1.764 1.00 10.00 O ATOM 978 CB SER B 13 -16.006 2.505 -0.948 1.00 10.00 C ATOM 979 OG SER B 13 -17.095 2.369 -1.848 1.00 10.00 O ATOM 0 H SER B 13 -17.912 3.716 0.031 1.00 10.00 H new ATOM 0 HA SER B 13 -16.721 1.235 0.624 1.00 10.00 H new ATOM 0 HB2 SER B 13 -15.569 3.499 -1.048 1.00 10.00 H new ATOM 0 HB3 SER B 13 -15.227 1.787 -1.204 1.00 10.00 H new ATOM 0 HG SER B 13 -17.528 3.240 -1.972 1.00 10.00 H new ATOM 985 N LEU B 14 -15.300 3.843 1.959 1.00 10.00 N ATOM 986 CA LEU B 14 -14.275 4.285 2.897 1.00 10.00 C ATOM 987 C LEU B 14 -14.516 3.675 4.273 1.00 10.00 C ATOM 988 O LEU B 14 -13.608 3.098 4.872 1.00 10.00 O ATOM 989 CB LEU B 14 -14.253 5.814 2.994 1.00 10.00 C ATOM 990 CG LEU B 14 -13.838 6.542 1.713 1.00 10.00 C ATOM 991 CD1 LEU B 14 -15.029 7.251 1.087 1.00 10.00 C ATOM 992 CD2 LEU B 14 -12.718 7.529 2.001 1.00 10.00 C ATOM 0 H LEU B 14 -15.991 4.556 1.726 1.00 10.00 H new ATOM 0 HA LEU B 14 -13.306 3.948 2.528 1.00 10.00 H new ATOM 0 HB2 LEU B 14 -15.246 6.158 3.283 1.00 10.00 H new ATOM 0 HB3 LEU B 14 -13.571 6.102 3.794 1.00 10.00 H new ATOM 0 HG LEU B 14 -13.471 5.802 1.002 1.00 10.00 H new ATOM 0 HD11 LEU B 14 -14.712 7.762 0.178 1.00 10.00 H new ATOM 0 HD12 LEU B 14 -15.800 6.520 0.842 1.00 10.00 H new ATOM 0 HD13 LEU B 14 -15.430 7.980 1.791 1.00 10.00 H new ATOM 0 HD21 LEU B 14 -12.435 8.038 1.079 1.00 10.00 H new ATOM 0 HD22 LEU B 14 -13.059 8.263 2.731 1.00 10.00 H new ATOM 0 HD23 LEU B 14 -11.856 6.995 2.400 1.00 10.00 H new ATOM 1004 N SER B 15 -15.748 3.783 4.759 1.00 10.00 N ATOM 1005 CA SER B 15 -16.107 3.241 6.064 1.00 10.00 C ATOM 1006 C SER B 15 -15.959 1.721 6.088 1.00 10.00 C ATOM 1007 O SER B 15 -15.596 1.140 7.112 1.00 10.00 O ATOM 1008 CB SER B 15 -17.543 3.635 6.408 1.00 10.00 C ATOM 1009 OG SER B 15 -17.984 4.693 5.573 1.00 10.00 O ATOM 0 H SER B 15 -16.515 4.242 4.268 1.00 10.00 H new ATOM 0 HA SER B 15 -15.428 3.657 6.809 1.00 10.00 H new ATOM 0 HB2 SER B 15 -18.200 2.773 6.290 1.00 10.00 H new ATOM 0 HB3 SER B 15 -17.602 3.940 7.453 1.00 10.00 H new ATOM 0 HG SER B 15 -18.955 4.793 5.657 1.00 10.00 H new ATOM 1015 N GLN B 16 -16.232 1.082 4.954 1.00 10.00 N ATOM 1016 CA GLN B 16 -16.121 -0.370 4.847 1.00 10.00 C ATOM 1017 C GLN B 16 -14.691 -0.825 5.130 1.00 10.00 C ATOM 1018 O GLN B 16 -14.470 -1.769 5.891 1.00 10.00 O ATOM 1019 CB GLN B 16 -16.558 -0.839 3.459 1.00 10.00 C ATOM 1020 CG GLN B 16 -16.716 -2.348 3.344 1.00 10.00 C ATOM 1021 CD GLN B 16 -17.798 -2.900 4.253 1.00 10.00 C ATOM 1022 OE1 GLN B 16 -18.783 -2.222 4.555 1.00 10.00 O ATOM 1023 NE2 GLN B 16 -17.631 -4.139 4.686 1.00 10.00 N ATOM 0 H GLN B 16 -16.532 1.546 4.097 1.00 10.00 H new ATOM 0 HA GLN B 16 -16.780 -0.817 5.592 1.00 10.00 H new ATOM 0 HB2 GLN B 16 -17.506 -0.363 3.206 1.00 10.00 H new ATOM 0 HB3 GLN B 16 -15.826 -0.502 2.725 1.00 10.00 H new ATOM 0 HG2 GLN B 16 -16.950 -2.606 2.311 1.00 10.00 H new ATOM 0 HG3 GLN B 16 -15.767 -2.827 3.585 1.00 10.00 H new ATOM 0 HE21 GLN B 16 -16.802 -4.667 4.413 1.00 10.00 H new ATOM 0 HE22 GLN B 16 -18.331 -4.566 5.292 1.00 10.00 H new ATOM 1032 N MET B 17 -13.725 -0.137 4.533 1.00 10.00 N ATOM 1033 CA MET B 17 -12.319 -0.468 4.733 1.00 10.00 C ATOM 1034 C MET B 17 -11.925 -0.248 6.190 1.00 10.00 C ATOM 1035 O MET B 17 -11.221 -1.065 6.786 1.00 10.00 O ATOM 1036 CB MET B 17 -11.426 0.376 3.817 1.00 10.00 C ATOM 1037 CG MET B 17 -11.558 0.034 2.340 1.00 10.00 C ATOM 1038 SD MET B 17 -11.273 -1.715 1.999 1.00 10.00 S ATOM 1039 CE MET B 17 -9.547 -1.883 2.453 1.00 10.00 C ATOM 0 H MET B 17 -13.889 0.652 3.908 1.00 10.00 H new ATOM 0 HA MET B 17 -12.179 -1.519 4.482 1.00 10.00 H new ATOM 0 HB2 MET B 17 -11.669 1.429 3.959 1.00 10.00 H new ATOM 0 HB3 MET B 17 -10.387 0.245 4.118 1.00 10.00 H new ATOM 0 HG2 MET B 17 -12.555 0.309 1.996 1.00 10.00 H new ATOM 0 HG3 MET B 17 -10.848 0.631 1.769 1.00 10.00 H new ATOM 0 HE1 MET B 17 -9.170 -2.843 2.101 1.00 10.00 H new ATOM 0 HE2 MET B 17 -8.971 -1.078 1.997 1.00 10.00 H new ATOM 0 HE3 MET B 17 -9.449 -1.831 3.537 1.00 10.00 H new ATOM 1049 N LEU B 18 -12.408 0.849 6.763 1.00 10.00 N ATOM 1050 CA LEU B 18 -12.121 1.186 8.151 1.00 10.00 C ATOM 1051 C LEU B 18 -12.721 0.140 9.089 1.00 10.00 C ATOM 1052 O LEU B 18 -12.055 -0.332 10.013 1.00 10.00 O ATOM 1053 CB LEU B 18 -12.666 2.577 8.490 1.00 10.00 C ATOM 1054 CG LEU B 18 -12.433 3.041 9.931 1.00 10.00 C ATOM 1055 CD1 LEU B 18 -10.952 3.273 10.191 1.00 10.00 C ATOM 1056 CD2 LEU B 18 -13.230 4.305 10.213 1.00 10.00 C ATOM 0 H LEU B 18 -13.004 1.524 6.283 1.00 10.00 H new ATOM 0 HA LEU B 18 -11.039 1.195 8.285 1.00 10.00 H new ATOM 0 HB2 LEU B 18 -12.210 3.301 7.815 1.00 10.00 H new ATOM 0 HB3 LEU B 18 -13.738 2.587 8.292 1.00 10.00 H new ATOM 0 HG LEU B 18 -12.776 2.256 10.605 1.00 10.00 H new ATOM 0 HD11 LEU B 18 -10.810 3.602 11.220 1.00 10.00 H new ATOM 0 HD12 LEU B 18 -10.404 2.345 10.028 1.00 10.00 H new ATOM 0 HD13 LEU B 18 -10.579 4.039 9.511 1.00 10.00 H new ATOM 0 HD21 LEU B 18 -13.055 4.624 11.241 1.00 10.00 H new ATOM 0 HD22 LEU B 18 -12.915 5.094 9.530 1.00 10.00 H new ATOM 0 HD23 LEU B 18 -14.292 4.105 10.071 1.00 10.00 H new ATOM 1068 N SER B 19 -13.973 -0.225 8.835 1.00 10.00 N ATOM 1069 CA SER B 19 -14.673 -1.216 9.645 1.00 10.00 C ATOM 1070 C SER B 19 -14.010 -2.586 9.512 1.00 10.00 C ATOM 1071 O SER B 19 -14.078 -3.409 10.424 1.00 10.00 O ATOM 1072 CB SER B 19 -16.151 -1.299 9.238 1.00 10.00 C ATOM 1073 OG SER B 19 -16.885 -2.113 10.136 1.00 10.00 O ATOM 0 H SER B 19 -14.528 0.154 8.068 1.00 10.00 H new ATOM 0 HA SER B 19 -14.617 -0.904 10.688 1.00 10.00 H new ATOM 0 HB2 SER B 19 -16.582 -0.298 9.216 1.00 10.00 H new ATOM 0 HB3 SER B 19 -16.231 -1.703 8.229 1.00 10.00 H new ATOM 0 HG SER B 19 -17.823 -2.147 9.854 1.00 10.00 H new ATOM 1079 N MET B 20 -13.354 -2.811 8.380 1.00 10.00 N ATOM 1080 CA MET B 20 -12.675 -4.073 8.128 1.00 10.00 C ATOM 1081 C MET B 20 -11.429 -4.189 8.999 1.00 10.00 C ATOM 1082 O MET B 20 -10.935 -5.289 9.254 1.00 10.00 O ATOM 1083 CB MET B 20 -12.294 -4.183 6.651 1.00 10.00 C ATOM 1084 CG MET B 20 -12.005 -5.607 6.197 1.00 10.00 C ATOM 1085 SD MET B 20 -11.377 -5.690 4.509 1.00 10.00 S ATOM 1086 CE MET B 20 -12.655 -4.801 3.621 1.00 10.00 C ATOM 0 H MET B 20 -13.279 -2.133 7.621 1.00 10.00 H new ATOM 0 HA MET B 20 -13.354 -4.888 8.379 1.00 10.00 H new ATOM 0 HB2 MET B 20 -13.103 -3.775 6.045 1.00 10.00 H new ATOM 0 HB3 MET B 20 -11.415 -3.566 6.465 1.00 10.00 H new ATOM 0 HG2 MET B 20 -11.278 -6.058 6.873 1.00 10.00 H new ATOM 0 HG3 MET B 20 -12.918 -6.199 6.270 1.00 10.00 H new ATOM 0 HE1 MET B 20 -12.588 -5.033 2.558 1.00 10.00 H new ATOM 0 HE2 MET B 20 -13.634 -5.099 3.997 1.00 10.00 H new ATOM 0 HE3 MET B 20 -12.521 -3.729 3.767 1.00 10.00 H new ATOM 1096 N GLY B 21 -10.934 -3.045 9.456 1.00 10.00 N ATOM 1097 CA GLY B 21 -9.753 -3.028 10.297 1.00 10.00 C ATOM 1098 C GLY B 21 -8.541 -2.497 9.570 1.00 10.00 C ATOM 1099 O GLY B 21 -7.417 -2.591 10.071 1.00 10.00 O ATOM 0 H GLY B 21 -11.331 -2.126 9.258 1.00 10.00 H new ATOM 0 HA2 GLY B 21 -9.945 -2.414 11.177 1.00 10.00 H new ATOM 0 HA3 GLY B 21 -9.548 -4.038 10.652 1.00 10.00 H new ATOM 1103 N PHE B 22 -8.761 -1.935 8.392 1.00 10.00 N ATOM 1104 CA PHE B 22 -7.676 -1.386 7.601 1.00 10.00 C ATOM 1105 C PHE B 22 -7.693 0.133 7.670 1.00 10.00 C ATOM 1106 O PHE B 22 -8.692 0.770 7.338 1.00 10.00 O ATOM 1107 CB PHE B 22 -7.769 -1.863 6.147 1.00 10.00 C ATOM 1108 CG PHE B 22 -7.345 -3.290 5.957 1.00 10.00 C ATOM 1109 CD1 PHE B 22 -6.001 -3.622 5.891 1.00 10.00 C ATOM 1110 CD2 PHE B 22 -8.287 -4.301 5.846 1.00 10.00 C ATOM 1111 CE1 PHE B 22 -5.604 -4.938 5.720 1.00 10.00 C ATOM 1112 CE2 PHE B 22 -7.897 -5.617 5.676 1.00 10.00 C ATOM 1113 CZ PHE B 22 -6.552 -5.936 5.612 1.00 10.00 C ATOM 0 H PHE B 22 -9.683 -1.848 7.964 1.00 10.00 H new ATOM 0 HA PHE B 22 -6.732 -1.742 8.013 1.00 10.00 H new ATOM 0 HB2 PHE B 22 -8.796 -1.748 5.800 1.00 10.00 H new ATOM 0 HB3 PHE B 22 -7.148 -1.221 5.522 1.00 10.00 H new ATOM 0 HD1 PHE B 22 -5.255 -2.846 5.974 1.00 10.00 H new ATOM 0 HD2 PHE B 22 -9.338 -4.058 5.893 1.00 10.00 H new ATOM 0 HE1 PHE B 22 -4.553 -5.183 5.671 1.00 10.00 H new ATOM 0 HE2 PHE B 22 -8.642 -6.395 5.593 1.00 10.00 H new ATOM 0 HZ PHE B 22 -6.245 -6.963 5.478 1.00 10.00 H new ATOM 1123 N SER B 23 -6.584 0.704 8.104 1.00 10.00 N ATOM 1124 CA SER B 23 -6.460 2.142 8.228 1.00 10.00 C ATOM 1125 C SER B 23 -5.011 2.554 8.008 1.00 10.00 C ATOM 1126 O SER B 23 -4.093 1.846 8.427 1.00 10.00 O ATOM 1127 CB SER B 23 -6.947 2.581 9.612 1.00 10.00 C ATOM 1128 OG SER B 23 -6.545 1.658 10.614 1.00 10.00 O ATOM 0 H SER B 23 -5.749 0.186 8.379 1.00 10.00 H new ATOM 0 HA SER B 23 -7.075 2.630 7.472 1.00 10.00 H new ATOM 0 HB2 SER B 23 -6.550 3.569 9.844 1.00 10.00 H new ATOM 0 HB3 SER B 23 -8.034 2.667 9.608 1.00 10.00 H new ATOM 0 HG SER B 23 -6.867 1.963 11.488 1.00 10.00 H new ATOM 1134 N ASP B 24 -4.813 3.676 7.338 1.00 10.00 N ATOM 1135 CA ASP B 24 -3.472 4.161 7.050 1.00 10.00 C ATOM 1136 C ASP B 24 -3.084 5.304 7.976 1.00 10.00 C ATOM 1137 O ASP B 24 -3.928 6.078 8.431 1.00 10.00 O ATOM 1138 CB ASP B 24 -3.344 4.595 5.585 1.00 10.00 C ATOM 1139 CG ASP B 24 -4.344 5.662 5.156 1.00 10.00 C ATOM 1140 OD1 ASP B 24 -5.384 5.837 5.826 1.00 10.00 O ATOM 1141 OD2 ASP B 24 -4.094 6.312 4.121 1.00 10.00 O ATOM 0 H ASP B 24 -5.563 4.269 6.983 1.00 10.00 H new ATOM 0 HA ASP B 24 -2.784 3.334 7.226 1.00 10.00 H new ATOM 0 HB2 ASP B 24 -2.335 4.971 5.417 1.00 10.00 H new ATOM 0 HB3 ASP B 24 -3.468 3.720 4.947 1.00 10.00 H new ATOM 1146 N GLU B 25 -1.795 5.379 8.257 1.00 10.00 N ATOM 1147 CA GLU B 25 -1.243 6.408 9.119 1.00 10.00 C ATOM 1148 C GLU B 25 -0.439 7.397 8.290 1.00 10.00 C ATOM 1149 O GLU B 25 -0.508 8.607 8.504 1.00 10.00 O ATOM 1150 CB GLU B 25 -0.352 5.785 10.206 1.00 10.00 C ATOM 1151 CG GLU B 25 -0.204 4.272 10.095 1.00 10.00 C ATOM 1152 CD GLU B 25 0.753 3.846 8.998 1.00 10.00 C ATOM 1153 OE1 GLU B 25 0.403 3.983 7.805 1.00 10.00 O ATOM 1154 OE2 GLU B 25 1.853 3.359 9.328 1.00 10.00 O ATOM 0 H GLU B 25 -1.101 4.727 7.893 1.00 10.00 H new ATOM 0 HA GLU B 25 -2.065 6.932 9.607 1.00 10.00 H new ATOM 0 HB2 GLU B 25 0.637 6.241 10.156 1.00 10.00 H new ATOM 0 HB3 GLU B 25 -0.766 6.028 11.184 1.00 10.00 H new ATOM 0 HG2 GLU B 25 0.146 3.876 11.048 1.00 10.00 H new ATOM 0 HG3 GLU B 25 -1.183 3.830 9.907 1.00 10.00 H new ATOM 1161 N GLY B 26 0.315 6.870 7.332 1.00 10.00 N ATOM 1162 CA GLY B 26 1.125 7.712 6.472 1.00 10.00 C ATOM 1163 C GLY B 26 0.334 8.281 5.311 1.00 10.00 C ATOM 1164 O GLY B 26 0.854 9.074 4.526 1.00 10.00 O ATOM 0 H GLY B 26 0.380 5.871 7.135 1.00 10.00 H new ATOM 0 HA2 GLY B 26 1.544 8.530 7.058 1.00 10.00 H new ATOM 0 HA3 GLY B 26 1.965 7.133 6.087 1.00 10.00 H new ATOM 1168 N GLY B 27 -0.924 7.866 5.200 1.00 10.00 N ATOM 1169 CA GLY B 27 -1.779 8.351 4.132 1.00 10.00 C ATOM 1170 C GLY B 27 -1.515 7.652 2.816 1.00 10.00 C ATOM 1171 O GLY B 27 -1.569 8.269 1.751 1.00 10.00 O ATOM 0 H GLY B 27 -1.368 7.200 5.833 1.00 10.00 H new ATOM 0 HA2 GLY B 27 -2.822 8.208 4.413 1.00 10.00 H new ATOM 0 HA3 GLY B 27 -1.627 9.423 4.007 1.00 10.00 H new ATOM 1175 N TRP B 28 -1.226 6.361 2.884 1.00 10.00 N ATOM 1176 CA TRP B 28 -0.944 5.585 1.685 1.00 10.00 C ATOM 1177 C TRP B 28 -2.191 4.854 1.181 1.00 10.00 C ATOM 1178 O TRP B 28 -2.314 4.571 -0.009 1.00 10.00 O ATOM 1179 CB TRP B 28 0.203 4.597 1.951 1.00 10.00 C ATOM 1180 CG TRP B 28 -0.144 3.467 2.875 1.00 10.00 C ATOM 1181 CD1 TRP B 28 -0.078 3.467 4.241 1.00 10.00 C ATOM 1182 CD2 TRP B 28 -0.591 2.160 2.494 1.00 10.00 C ATOM 1183 NE1 TRP B 28 -0.460 2.245 4.730 1.00 10.00 N ATOM 1184 CE2 TRP B 28 -0.784 1.424 3.675 1.00 10.00 C ATOM 1185 CE3 TRP B 28 -0.853 1.545 1.265 1.00 10.00 C ATOM 1186 CZ2 TRP B 28 -1.221 0.100 3.660 1.00 10.00 C ATOM 1187 CZ3 TRP B 28 -1.289 0.234 1.253 1.00 10.00 C ATOM 1188 CH2 TRP B 28 -1.471 -0.476 2.445 1.00 10.00 C ATOM 0 H TRP B 28 -1.181 5.830 3.754 1.00 10.00 H new ATOM 0 HA TRP B 28 -0.636 6.276 0.900 1.00 10.00 H new ATOM 0 HB2 TRP B 28 0.534 4.181 0.999 1.00 10.00 H new ATOM 0 HB3 TRP B 28 1.047 5.145 2.370 1.00 10.00 H new ATOM 0 HD1 TRP B 28 0.230 4.307 4.846 1.00 10.00 H new ATOM 0 HE1 TRP B 28 -0.498 1.986 5.716 1.00 10.00 H new ATOM 0 HE3 TRP B 28 -0.717 2.086 0.340 1.00 10.00 H new ATOM 0 HZ2 TRP B 28 -1.358 -0.453 4.578 1.00 10.00 H new ATOM 0 HZ3 TRP B 28 -1.492 -0.250 0.309 1.00 10.00 H new ATOM 0 HH2 TRP B 28 -1.816 -1.499 2.405 1.00 10.00 H new ATOM 1199 N LEU B 29 -3.131 4.584 2.078 1.00 10.00 N ATOM 1200 CA LEU B 29 -4.354 3.875 1.711 1.00 10.00 C ATOM 1201 C LEU B 29 -5.381 4.852 1.153 1.00 10.00 C ATOM 1202 O LEU B 29 -6.107 4.540 0.206 1.00 10.00 O ATOM 1203 CB LEU B 29 -4.931 3.125 2.916 1.00 10.00 C ATOM 1204 CG LEU B 29 -6.070 2.151 2.603 1.00 10.00 C ATOM 1205 CD1 LEU B 29 -5.544 0.905 1.905 1.00 10.00 C ATOM 1206 CD2 LEU B 29 -6.809 1.775 3.878 1.00 10.00 C ATOM 0 H LEU B 29 -3.072 4.844 3.063 1.00 10.00 H new ATOM 0 HA LEU B 29 -4.109 3.144 0.941 1.00 10.00 H new ATOM 0 HB2 LEU B 29 -4.125 2.571 3.397 1.00 10.00 H new ATOM 0 HB3 LEU B 29 -5.291 3.857 3.639 1.00 10.00 H new ATOM 0 HG LEU B 29 -6.767 2.647 1.928 1.00 10.00 H new ATOM 0 HD11 LEU B 29 -6.373 0.229 1.694 1.00 10.00 H new ATOM 0 HD12 LEU B 29 -5.060 1.189 0.971 1.00 10.00 H new ATOM 0 HD13 LEU B 29 -4.823 0.404 2.550 1.00 10.00 H new ATOM 0 HD21 LEU B 29 -7.616 1.082 3.640 1.00 10.00 H new ATOM 0 HD22 LEU B 29 -6.117 1.300 4.573 1.00 10.00 H new ATOM 0 HD23 LEU B 29 -7.225 2.673 4.336 1.00 10.00 H new ATOM 1218 N THR B 30 -5.433 6.046 1.731 1.00 10.00 N ATOM 1219 CA THR B 30 -6.362 7.066 1.271 1.00 10.00 C ATOM 1220 C THR B 30 -6.002 7.516 -0.150 1.00 10.00 C ATOM 1221 O THR B 30 -6.869 7.941 -0.918 1.00 10.00 O ATOM 1222 CB THR B 30 -6.405 8.277 2.239 1.00 10.00 C ATOM 1223 OG1 THR B 30 -7.583 9.063 2.001 1.00 10.00 O ATOM 1224 CG2 THR B 30 -5.172 9.157 2.097 1.00 10.00 C ATOM 0 H THR B 30 -4.845 6.329 2.515 1.00 10.00 H new ATOM 0 HA THR B 30 -7.359 6.626 1.255 1.00 10.00 H new ATOM 0 HB THR B 30 -6.425 7.881 3.254 1.00 10.00 H new ATOM 0 HG1 THR B 30 -7.599 9.823 2.619 1.00 10.00 H new ATOM 0 HG21 THR B 30 -5.240 9.994 2.792 1.00 10.00 H new ATOM 0 HG22 THR B 30 -4.280 8.572 2.320 1.00 10.00 H new ATOM 0 HG23 THR B 30 -5.111 9.536 1.077 1.00 10.00 H new ATOM 1232 N ARG B 31 -4.722 7.391 -0.502 1.00 10.00 N ATOM 1233 CA ARG B 31 -4.256 7.759 -1.832 1.00 10.00 C ATOM 1234 C ARG B 31 -4.347 6.551 -2.759 1.00 10.00 C ATOM 1235 O ARG B 31 -4.324 6.681 -3.987 1.00 10.00 O ATOM 1236 CB ARG B 31 -2.821 8.299 -1.775 1.00 10.00 C ATOM 1237 CG ARG B 31 -2.693 9.566 -0.944 1.00 10.00 C ATOM 1238 CD ARG B 31 -1.917 10.653 -1.673 1.00 10.00 C ATOM 1239 NE ARG B 31 -0.472 10.441 -1.619 1.00 10.00 N ATOM 1240 CZ ARG B 31 0.429 11.425 -1.652 1.00 10.00 C ATOM 1241 NH1 ARG B 31 0.036 12.689 -1.748 1.00 10.00 N ATOM 1242 NH2 ARG B 31 1.722 11.147 -1.592 1.00 10.00 N ATOM 0 H ARG B 31 -3.993 7.038 0.117 1.00 10.00 H new ATOM 0 HA ARG B 31 -4.892 8.552 -2.224 1.00 10.00 H new ATOM 0 HB2 ARG B 31 -2.167 7.532 -1.360 1.00 10.00 H new ATOM 0 HB3 ARG B 31 -2.474 8.500 -2.789 1.00 10.00 H new ATOM 0 HG2 ARG B 31 -3.687 9.937 -0.694 1.00 10.00 H new ATOM 0 HG3 ARG B 31 -2.193 9.333 -0.004 1.00 10.00 H new ATOM 0 HD2 ARG B 31 -2.237 10.687 -2.714 1.00 10.00 H new ATOM 0 HD3 ARG B 31 -2.156 11.622 -1.234 1.00 10.00 H new ATOM 0 HE ARG B 31 -0.131 9.482 -1.552 1.00 10.00 H new ATOM 0 HH11 ARG B 31 -0.958 12.912 -1.797 1.00 10.00 H new ATOM 0 HH12 ARG B 31 0.728 13.438 -1.773 1.00 10.00 H new ATOM 0 HH21 ARG B 31 2.033 10.178 -1.520 1.00 10.00 H new ATOM 0 HH22 ARG B 31 2.408 11.902 -1.618 1.00 10.00 H new ATOM 1256 N LEU B 32 -4.471 5.374 -2.156 1.00 10.00 N ATOM 1257 CA LEU B 32 -4.588 4.128 -2.899 1.00 10.00 C ATOM 1258 C LEU B 32 -5.942 4.062 -3.596 1.00 10.00 C ATOM 1259 O LEU B 32 -6.040 3.654 -4.751 1.00 10.00 O ATOM 1260 CB LEU B 32 -4.425 2.933 -1.950 1.00 10.00 C ATOM 1261 CG LEU B 32 -4.148 1.589 -2.625 1.00 10.00 C ATOM 1262 CD1 LEU B 32 -2.658 1.292 -2.617 1.00 10.00 C ATOM 1263 CD2 LEU B 32 -4.918 0.475 -1.939 1.00 10.00 C ATOM 0 H LEU B 32 -4.493 5.258 -1.143 1.00 10.00 H new ATOM 0 HA LEU B 32 -3.801 4.090 -3.652 1.00 10.00 H new ATOM 0 HB2 LEU B 32 -3.609 3.148 -1.260 1.00 10.00 H new ATOM 0 HB3 LEU B 32 -5.332 2.840 -1.352 1.00 10.00 H new ATOM 0 HG LEU B 32 -4.485 1.647 -3.660 1.00 10.00 H new ATOM 0 HD11 LEU B 32 -2.476 0.332 -3.101 1.00 10.00 H new ATOM 0 HD12 LEU B 32 -2.128 2.077 -3.156 1.00 10.00 H new ATOM 0 HD13 LEU B 32 -2.300 1.254 -1.588 1.00 10.00 H new ATOM 0 HD21 LEU B 32 -4.707 -0.472 -2.435 1.00 10.00 H new ATOM 0 HD22 LEU B 32 -4.615 0.413 -0.894 1.00 10.00 H new ATOM 0 HD23 LEU B 32 -5.986 0.683 -1.995 1.00 10.00 H new ATOM 1275 N LEU B 33 -6.975 4.515 -2.890 1.00 10.00 N ATOM 1276 CA LEU B 33 -8.343 4.513 -3.414 1.00 10.00 C ATOM 1277 C LEU B 33 -8.521 5.534 -4.536 1.00 10.00 C ATOM 1278 O LEU B 33 -9.520 5.515 -5.252 1.00 10.00 O ATOM 1279 CB LEU B 33 -9.337 4.821 -2.293 1.00 10.00 C ATOM 1280 CG LEU B 33 -9.350 3.823 -1.135 1.00 10.00 C ATOM 1281 CD1 LEU B 33 -10.214 4.342 0.006 1.00 10.00 C ATOM 1282 CD2 LEU B 33 -9.845 2.461 -1.600 1.00 10.00 C ATOM 0 H LEU B 33 -6.892 4.892 -1.946 1.00 10.00 H new ATOM 0 HA LEU B 33 -8.534 3.520 -3.820 1.00 10.00 H new ATOM 0 HB2 LEU B 33 -9.114 5.811 -1.895 1.00 10.00 H new ATOM 0 HB3 LEU B 33 -10.338 4.868 -2.721 1.00 10.00 H new ATOM 0 HG LEU B 33 -8.328 3.709 -0.773 1.00 10.00 H new ATOM 0 HD11 LEU B 33 -10.212 3.619 0.822 1.00 10.00 H new ATOM 0 HD12 LEU B 33 -9.815 5.292 0.362 1.00 10.00 H new ATOM 0 HD13 LEU B 33 -11.235 4.487 -0.348 1.00 10.00 H new ATOM 0 HD21 LEU B 33 -9.846 1.768 -0.759 1.00 10.00 H new ATOM 0 HD22 LEU B 33 -10.857 2.556 -1.992 1.00 10.00 H new ATOM 0 HD23 LEU B 33 -9.187 2.082 -2.382 1.00 10.00 H new ATOM 1294 N GLN B 34 -7.565 6.433 -4.686 1.00 10.00 N ATOM 1295 CA GLN B 34 -7.652 7.444 -5.726 1.00 10.00 C ATOM 1296 C GLN B 34 -6.990 6.953 -7.008 1.00 10.00 C ATOM 1297 O GLN B 34 -7.302 7.426 -8.101 1.00 10.00 O ATOM 1298 CB GLN B 34 -7.005 8.753 -5.270 1.00 10.00 C ATOM 1299 CG GLN B 34 -7.426 9.199 -3.875 1.00 10.00 C ATOM 1300 CD GLN B 34 -8.931 9.325 -3.715 1.00 10.00 C ATOM 1301 OE1 GLN B 34 -9.647 9.686 -4.653 1.00 10.00 O ATOM 1302 NE2 GLN B 34 -9.422 9.026 -2.522 1.00 10.00 N ATOM 0 H GLN B 34 -6.727 6.485 -4.107 1.00 10.00 H new ATOM 0 HA GLN B 34 -8.707 7.631 -5.925 1.00 10.00 H new ATOM 0 HB2 GLN B 34 -5.921 8.638 -5.292 1.00 10.00 H new ATOM 0 HB3 GLN B 34 -7.256 9.538 -5.983 1.00 10.00 H new ATOM 0 HG2 GLN B 34 -7.048 8.485 -3.143 1.00 10.00 H new ATOM 0 HG3 GLN B 34 -6.962 10.160 -3.652 1.00 10.00 H new ATOM 0 HE21 GLN B 34 -8.796 8.731 -1.772 1.00 10.00 H new ATOM 0 HE22 GLN B 34 -10.426 9.090 -2.353 1.00 10.00 H new ATOM 1311 N THR B 35 -6.063 6.015 -6.869 1.00 10.00 N ATOM 1312 CA THR B 35 -5.356 5.480 -8.020 1.00 10.00 C ATOM 1313 C THR B 35 -5.909 4.124 -8.461 1.00 10.00 C ATOM 1314 O THR B 35 -6.047 3.863 -9.656 1.00 10.00 O ATOM 1315 CB THR B 35 -3.854 5.363 -7.731 1.00 10.00 C ATOM 1316 OG1 THR B 35 -3.642 4.881 -6.393 1.00 10.00 O ATOM 1317 CG2 THR B 35 -3.180 6.714 -7.901 1.00 10.00 C ATOM 0 H THR B 35 -5.785 5.612 -5.974 1.00 10.00 H new ATOM 0 HA THR B 35 -5.511 6.183 -8.838 1.00 10.00 H new ATOM 0 HB THR B 35 -3.419 4.656 -8.438 1.00 10.00 H new ATOM 0 HG1 THR B 35 -3.815 5.603 -5.754 1.00 10.00 H new ATOM 0 HG21 THR B 35 -2.114 6.618 -7.693 1.00 10.00 H new ATOM 0 HG22 THR B 35 -3.320 7.064 -8.924 1.00 10.00 H new ATOM 0 HG23 THR B 35 -3.621 7.431 -7.208 1.00 10.00 H new ATOM 1325 N LYS B 36 -6.228 3.265 -7.500 1.00 10.00 N ATOM 1326 CA LYS B 36 -6.752 1.934 -7.803 1.00 10.00 C ATOM 1327 C LYS B 36 -8.267 1.887 -7.627 1.00 10.00 C ATOM 1328 O LYS B 36 -8.849 0.809 -7.488 1.00 10.00 O ATOM 1329 CB LYS B 36 -6.081 0.876 -6.922 1.00 10.00 C ATOM 1330 CG LYS B 36 -4.598 0.690 -7.210 1.00 10.00 C ATOM 1331 CD LYS B 36 -3.741 1.283 -6.106 1.00 10.00 C ATOM 1332 CE LYS B 36 -2.310 1.513 -6.561 1.00 10.00 C ATOM 1333 NZ LYS B 36 -2.203 2.669 -7.485 1.00 10.00 N ATOM 0 H LYS B 36 -6.134 3.464 -6.504 1.00 10.00 H new ATOM 0 HA LYS B 36 -6.524 1.715 -8.846 1.00 10.00 H new ATOM 0 HB2 LYS B 36 -6.207 1.155 -5.876 1.00 10.00 H new ATOM 0 HB3 LYS B 36 -6.591 -0.077 -7.062 1.00 10.00 H new ATOM 0 HG2 LYS B 36 -4.376 -0.372 -7.314 1.00 10.00 H new ATOM 0 HG3 LYS B 36 -4.348 1.162 -8.160 1.00 10.00 H new ATOM 0 HD2 LYS B 36 -4.174 2.228 -5.778 1.00 10.00 H new ATOM 0 HD3 LYS B 36 -3.745 0.615 -5.245 1.00 10.00 H new ATOM 0 HE2 LYS B 36 -1.675 1.683 -5.691 1.00 10.00 H new ATOM 0 HE3 LYS B 36 -1.938 0.616 -7.057 1.00 10.00 H new ATOM 0 HZ1 LYS B 36 -1.200 2.888 -7.652 1.00 10.00 H new ATOM 0 HZ2 LYS B 36 -2.662 2.435 -8.389 1.00 10.00 H new ATOM 0 HZ3 LYS B 36 -2.672 3.496 -7.063 1.00 10.00 H new ATOM 1347 N ASN B 37 -8.891 3.065 -7.644 1.00 10.00 N ATOM 1348 CA ASN B 37 -10.342 3.200 -7.502 1.00 10.00 C ATOM 1349 C ASN B 37 -10.807 2.804 -6.097 1.00 10.00 C ATOM 1350 O ASN B 37 -10.003 2.432 -5.240 1.00 10.00 O ATOM 1351 CB ASN B 37 -11.080 2.371 -8.564 1.00 10.00 C ATOM 1352 CG ASN B 37 -12.389 3.010 -8.987 1.00 10.00 C ATOM 1353 OD1 ASN B 37 -13.426 2.807 -8.357 1.00 10.00 O ATOM 1354 ND2 ASN B 37 -12.355 3.790 -10.057 1.00 10.00 N ATOM 0 H ASN B 37 -8.404 3.954 -7.757 1.00 10.00 H new ATOM 0 HA ASN B 37 -10.586 4.251 -7.654 1.00 10.00 H new ATOM 0 HB2 ASN B 37 -10.439 2.250 -9.437 1.00 10.00 H new ATOM 0 HB3 ASN B 37 -11.276 1.373 -8.171 1.00 10.00 H new ATOM 0 HD21 ASN B 37 -13.207 4.245 -10.383 1.00 10.00 H new ATOM 0 HD22 ASN B 37 -11.476 3.935 -10.554 1.00 10.00 H new ATOM 1361 N TYR B 38 -12.111 2.899 -5.870 1.00 10.00 N ATOM 1362 CA TYR B 38 -12.703 2.574 -4.579 1.00 10.00 C ATOM 1363 C TYR B 38 -13.235 1.145 -4.561 1.00 10.00 C ATOM 1364 O TYR B 38 -14.204 0.844 -3.859 1.00 10.00 O ATOM 1365 CB TYR B 38 -13.846 3.544 -4.270 1.00 10.00 C ATOM 1366 CG TYR B 38 -13.397 4.910 -3.805 1.00 10.00 C ATOM 1367 CD1 TYR B 38 -13.016 5.888 -4.715 1.00 10.00 C ATOM 1368 CD2 TYR B 38 -13.362 5.226 -2.451 1.00 10.00 C ATOM 1369 CE1 TYR B 38 -12.613 7.140 -4.289 1.00 10.00 C ATOM 1370 CE2 TYR B 38 -12.961 6.475 -2.020 1.00 10.00 C ATOM 1371 CZ TYR B 38 -12.588 7.428 -2.941 1.00 10.00 C ATOM 1372 OH TYR B 38 -12.193 8.675 -2.511 1.00 10.00 O ATOM 0 H TYR B 38 -12.785 3.202 -6.573 1.00 10.00 H new ATOM 0 HA TYR B 38 -11.925 2.665 -3.821 1.00 10.00 H new ATOM 0 HB2 TYR B 38 -14.459 3.661 -5.164 1.00 10.00 H new ATOM 0 HB3 TYR B 38 -14.483 3.104 -3.503 1.00 10.00 H new ATOM 0 HD1 TYR B 38 -13.035 5.667 -5.772 1.00 10.00 H new ATOM 0 HD2 TYR B 38 -13.653 4.482 -1.724 1.00 10.00 H new ATOM 0 HE1 TYR B 38 -12.319 7.889 -5.009 1.00 10.00 H new ATOM 0 HE2 TYR B 38 -12.940 6.703 -0.965 1.00 10.00 H new ATOM 0 HH TYR B 38 -12.233 8.712 -1.533 1.00 10.00 H new ATOM 1382 N ASP B 39 -12.606 0.265 -5.325 1.00 10.00 N ATOM 1383 CA ASP B 39 -13.037 -1.122 -5.386 1.00 10.00 C ATOM 1384 C ASP B 39 -12.391 -1.936 -4.277 1.00 10.00 C ATOM 1385 O ASP B 39 -11.181 -2.170 -4.282 1.00 10.00 O ATOM 1386 CB ASP B 39 -12.714 -1.743 -6.743 1.00 10.00 C ATOM 1387 CG ASP B 39 -13.410 -3.074 -6.929 1.00 10.00 C ATOM 1388 OD1 ASP B 39 -14.591 -3.076 -7.336 1.00 10.00 O ATOM 1389 OD2 ASP B 39 -12.788 -4.123 -6.661 1.00 10.00 O ATOM 0 H ASP B 39 -11.799 0.486 -5.909 1.00 10.00 H new ATOM 0 HA ASP B 39 -14.118 -1.136 -5.250 1.00 10.00 H new ATOM 0 HB2 ASP B 39 -13.016 -1.060 -7.537 1.00 10.00 H new ATOM 0 HB3 ASP B 39 -11.636 -1.880 -6.833 1.00 10.00 H new ATOM 1394 N ILE B 40 -13.211 -2.355 -3.327 1.00 10.00 N ATOM 1395 CA ILE B 40 -12.750 -3.136 -2.183 1.00 10.00 C ATOM 1396 C ILE B 40 -12.117 -4.454 -2.624 1.00 10.00 C ATOM 1397 O ILE B 40 -11.065 -4.848 -2.116 1.00 10.00 O ATOM 1398 CB ILE B 40 -13.912 -3.443 -1.212 1.00 10.00 C ATOM 1399 CG1 ILE B 40 -14.698 -2.169 -0.892 1.00 10.00 C ATOM 1400 CG2 ILE B 40 -13.389 -4.078 0.068 1.00 10.00 C ATOM 1401 CD1 ILE B 40 -16.048 -2.430 -0.256 1.00 10.00 C ATOM 0 H ILE B 40 -14.213 -2.166 -3.324 1.00 10.00 H new ATOM 0 HA ILE B 40 -12.000 -2.531 -1.673 1.00 10.00 H new ATOM 0 HB ILE B 40 -14.583 -4.151 -1.698 1.00 10.00 H new ATOM 0 HG12 ILE B 40 -14.105 -1.546 -0.223 1.00 10.00 H new ATOM 0 HG13 ILE B 40 -14.843 -1.602 -1.811 1.00 10.00 H new ATOM 0 HG21 ILE B 40 -14.223 -4.286 0.738 1.00 10.00 H new ATOM 0 HG22 ILE B 40 -12.875 -5.009 -0.171 1.00 10.00 H new ATOM 0 HG23 ILE B 40 -12.694 -3.394 0.556 1.00 10.00 H new ATOM 0 HD11 ILE B 40 -16.546 -1.481 -0.058 1.00 10.00 H new ATOM 0 HD12 ILE B 40 -16.660 -3.027 -0.933 1.00 10.00 H new ATOM 0 HD13 ILE B 40 -15.911 -2.970 0.681 1.00 10.00 H new ATOM 1413 N GLY B 41 -12.757 -5.122 -3.583 1.00 10.00 N ATOM 1414 CA GLY B 41 -12.258 -6.395 -4.076 1.00 10.00 C ATOM 1415 C GLY B 41 -10.830 -6.307 -4.586 1.00 10.00 C ATOM 1416 O GLY B 41 -9.948 -7.031 -4.119 1.00 10.00 O ATOM 0 H GLY B 41 -13.617 -4.801 -4.029 1.00 10.00 H new ATOM 0 HA2 GLY B 41 -12.309 -7.135 -3.277 1.00 10.00 H new ATOM 0 HA3 GLY B 41 -12.905 -6.748 -4.879 1.00 10.00 H new ATOM 1420 N ALA B 42 -10.602 -5.402 -5.531 1.00 10.00 N ATOM 1421 CA ALA B 42 -9.278 -5.210 -6.114 1.00 10.00 C ATOM 1422 C ALA B 42 -8.254 -4.774 -5.064 1.00 10.00 C ATOM 1423 O ALA B 42 -7.137 -5.291 -5.027 1.00 10.00 O ATOM 1424 CB ALA B 42 -9.341 -4.187 -7.238 1.00 10.00 C ATOM 0 H ALA B 42 -11.321 -4.786 -5.912 1.00 10.00 H new ATOM 0 HA ALA B 42 -8.953 -6.169 -6.517 1.00 10.00 H new ATOM 0 HB1 ALA B 42 -8.347 -4.053 -7.664 1.00 10.00 H new ATOM 0 HB2 ALA B 42 -10.023 -4.538 -8.012 1.00 10.00 H new ATOM 0 HB3 ALA B 42 -9.698 -3.235 -6.844 1.00 10.00 H new ATOM 1430 N ALA B 43 -8.648 -3.833 -4.205 1.00 10.00 N ATOM 1431 CA ALA B 43 -7.764 -3.315 -3.159 1.00 10.00 C ATOM 1432 C ALA B 43 -7.285 -4.418 -2.216 1.00 10.00 C ATOM 1433 O ALA B 43 -6.098 -4.504 -1.899 1.00 10.00 O ATOM 1434 CB ALA B 43 -8.472 -2.221 -2.372 1.00 10.00 C ATOM 0 H ALA B 43 -9.577 -3.412 -4.213 1.00 10.00 H new ATOM 0 HA ALA B 43 -6.883 -2.899 -3.648 1.00 10.00 H new ATOM 0 HB1 ALA B 43 -7.807 -1.842 -1.596 1.00 10.00 H new ATOM 0 HB2 ALA B 43 -8.746 -1.408 -3.044 1.00 10.00 H new ATOM 0 HB3 ALA B 43 -9.372 -2.629 -1.911 1.00 10.00 H new ATOM 1440 N LEU B 44 -8.206 -5.274 -1.785 1.00 10.00 N ATOM 1441 CA LEU B 44 -7.877 -6.363 -0.871 1.00 10.00 C ATOM 1442 C LEU B 44 -6.918 -7.358 -1.524 1.00 10.00 C ATOM 1443 O LEU B 44 -6.006 -7.881 -0.878 1.00 10.00 O ATOM 1444 CB LEU B 44 -9.157 -7.081 -0.428 1.00 10.00 C ATOM 1445 CG LEU B 44 -8.996 -8.060 0.738 1.00 10.00 C ATOM 1446 CD1 LEU B 44 -8.556 -7.328 1.995 1.00 10.00 C ATOM 1447 CD2 LEU B 44 -10.293 -8.817 0.983 1.00 10.00 C ATOM 0 H LEU B 44 -9.189 -5.234 -2.055 1.00 10.00 H new ATOM 0 HA LEU B 44 -7.383 -5.937 0.002 1.00 10.00 H new ATOM 0 HB2 LEU B 44 -9.896 -6.330 -0.149 1.00 10.00 H new ATOM 0 HB3 LEU B 44 -9.562 -7.624 -1.282 1.00 10.00 H new ATOM 0 HG LEU B 44 -8.223 -8.782 0.476 1.00 10.00 H new ATOM 0 HD11 LEU B 44 -8.447 -8.041 2.812 1.00 10.00 H new ATOM 0 HD12 LEU B 44 -7.601 -6.835 1.814 1.00 10.00 H new ATOM 0 HD13 LEU B 44 -9.304 -6.582 2.262 1.00 10.00 H new ATOM 0 HD21 LEU B 44 -10.159 -9.508 1.815 1.00 10.00 H new ATOM 0 HD22 LEU B 44 -11.087 -8.110 1.222 1.00 10.00 H new ATOM 0 HD23 LEU B 44 -10.563 -9.376 0.087 1.00 10.00 H new ATOM 1459 N ASP B 45 -7.118 -7.598 -2.813 1.00 10.00 N ATOM 1460 CA ASP B 45 -6.282 -8.531 -3.564 1.00 10.00 C ATOM 1461 C ASP B 45 -4.901 -7.941 -3.837 1.00 10.00 C ATOM 1462 O ASP B 45 -3.930 -8.671 -4.020 1.00 10.00 O ATOM 1463 CB ASP B 45 -6.959 -8.896 -4.887 1.00 10.00 C ATOM 1464 CG ASP B 45 -6.365 -10.137 -5.520 1.00 10.00 C ATOM 1465 OD1 ASP B 45 -6.821 -11.248 -5.187 1.00 10.00 O ATOM 1466 OD2 ASP B 45 -5.447 -10.013 -6.365 1.00 10.00 O ATOM 0 H ASP B 45 -7.855 -7.158 -3.364 1.00 10.00 H new ATOM 0 HA ASP B 45 -6.156 -9.429 -2.960 1.00 10.00 H new ATOM 0 HB2 ASP B 45 -8.024 -9.054 -4.715 1.00 10.00 H new ATOM 0 HB3 ASP B 45 -6.869 -8.060 -5.580 1.00 10.00 H new ATOM 1471 N THR B 46 -4.820 -6.617 -3.837 1.00 10.00 N ATOM 1472 CA THR B 46 -3.566 -5.920 -4.101 1.00 10.00 C ATOM 1473 C THR B 46 -2.482 -6.277 -3.074 1.00 10.00 C ATOM 1474 O THR B 46 -1.299 -6.343 -3.407 1.00 10.00 O ATOM 1475 CB THR B 46 -3.778 -4.390 -4.117 1.00 10.00 C ATOM 1476 OG1 THR B 46 -4.798 -4.045 -5.062 1.00 10.00 O ATOM 1477 CG2 THR B 46 -2.491 -3.656 -4.475 1.00 10.00 C ATOM 0 H THR B 46 -5.612 -6.000 -3.656 1.00 10.00 H new ATOM 0 HA THR B 46 -3.226 -6.248 -5.083 1.00 10.00 H new ATOM 0 HB THR B 46 -4.083 -4.086 -3.116 1.00 10.00 H new ATOM 0 HG1 THR B 46 -5.672 -4.318 -4.714 1.00 10.00 H new ATOM 0 HG21 THR B 46 -2.674 -2.581 -4.478 1.00 10.00 H new ATOM 0 HG22 THR B 46 -1.721 -3.891 -3.740 1.00 10.00 H new ATOM 0 HG23 THR B 46 -2.156 -3.970 -5.464 1.00 10.00 H new ATOM 1485 N ILE B 47 -2.886 -6.528 -1.834 1.00 10.00 N ATOM 1486 CA ILE B 47 -1.926 -6.854 -0.783 1.00 10.00 C ATOM 1487 C ILE B 47 -1.928 -8.345 -0.438 1.00 10.00 C ATOM 1488 O ILE B 47 -1.197 -8.774 0.450 1.00 10.00 O ATOM 1489 CB ILE B 47 -2.180 -6.031 0.496 1.00 10.00 C ATOM 1490 CG1 ILE B 47 -3.652 -6.118 0.917 1.00 10.00 C ATOM 1491 CG2 ILE B 47 -1.767 -4.582 0.276 1.00 10.00 C ATOM 1492 CD1 ILE B 47 -3.939 -5.467 2.255 1.00 10.00 C ATOM 0 H ILE B 47 -3.860 -6.513 -1.533 1.00 10.00 H new ATOM 0 HA ILE B 47 -0.945 -6.595 -1.182 1.00 10.00 H new ATOM 0 HB ILE B 47 -1.576 -6.447 1.302 1.00 10.00 H new ATOM 0 HG12 ILE B 47 -4.269 -5.645 0.153 1.00 10.00 H new ATOM 0 HG13 ILE B 47 -3.947 -7.166 0.961 1.00 10.00 H new ATOM 0 HG21 ILE B 47 -1.950 -4.009 1.185 1.00 10.00 H new ATOM 0 HG22 ILE B 47 -0.706 -4.540 0.028 1.00 10.00 H new ATOM 0 HG23 ILE B 47 -2.348 -4.158 -0.543 1.00 10.00 H new ATOM 0 HD11 ILE B 47 -4.999 -5.567 2.488 1.00 10.00 H new ATOM 0 HD12 ILE B 47 -3.349 -5.955 3.031 1.00 10.00 H new ATOM 0 HD13 ILE B 47 -3.675 -4.410 2.209 1.00 10.00 H new ATOM 1504 N GLN B 48 -2.760 -9.118 -1.136 1.00 10.00 N ATOM 1505 CA GLN B 48 -2.857 -10.571 -0.921 1.00 10.00 C ATOM 1506 C GLN B 48 -3.322 -10.919 0.497 1.00 10.00 C ATOM 1507 O GLN B 48 -3.142 -12.045 0.961 1.00 10.00 O ATOM 1508 CB GLN B 48 -1.509 -11.246 -1.200 1.00 10.00 C ATOM 1509 CG GLN B 48 -1.577 -12.378 -2.210 1.00 10.00 C ATOM 1510 CD GLN B 48 -2.121 -13.669 -1.627 1.00 10.00 C ATOM 1511 OE1 GLN B 48 -1.366 -14.502 -1.119 1.00 10.00 O ATOM 1512 NE2 GLN B 48 -3.428 -13.857 -1.720 1.00 10.00 N ATOM 0 H GLN B 48 -3.383 -8.763 -1.862 1.00 10.00 H new ATOM 0 HA GLN B 48 -3.607 -10.944 -1.619 1.00 10.00 H new ATOM 0 HB2 GLN B 48 -0.807 -10.494 -1.560 1.00 10.00 H new ATOM 0 HB3 GLN B 48 -1.109 -11.633 -0.263 1.00 10.00 H new ATOM 0 HG2 GLN B 48 -2.205 -12.072 -3.047 1.00 10.00 H new ATOM 0 HG3 GLN B 48 -0.579 -12.560 -2.610 1.00 10.00 H new ATOM 0 HE21 GLN B 48 -4.017 -13.142 -2.148 1.00 10.00 H new ATOM 0 HE22 GLN B 48 -3.846 -14.717 -1.364 1.00 10.00 H new ATOM 1521 N TYR B 49 -3.938 -9.964 1.178 1.00 10.00 N ATOM 1522 CA TYR B 49 -4.428 -10.194 2.533 1.00 10.00 C ATOM 1523 C TYR B 49 -5.900 -10.579 2.486 1.00 10.00 C ATOM 1524 O TYR B 49 -6.638 -10.403 3.451 1.00 10.00 O ATOM 1525 CB TYR B 49 -4.235 -8.952 3.408 1.00 10.00 C ATOM 1526 CG TYR B 49 -2.871 -8.857 4.066 1.00 10.00 C ATOM 1527 CD1 TYR B 49 -1.706 -9.072 3.340 1.00 10.00 C ATOM 1528 CD2 TYR B 49 -2.751 -8.537 5.415 1.00 10.00 C ATOM 1529 CE1 TYR B 49 -0.463 -8.976 3.937 1.00 10.00 C ATOM 1530 CE2 TYR B 49 -1.510 -8.434 6.016 1.00 10.00 C ATOM 1531 CZ TYR B 49 -0.370 -8.655 5.273 1.00 10.00 C ATOM 1532 OH TYR B 49 0.868 -8.543 5.865 1.00 10.00 O ATOM 0 H TYR B 49 -4.111 -9.025 0.818 1.00 10.00 H new ATOM 0 HA TYR B 49 -3.853 -11.008 2.975 1.00 10.00 H new ATOM 0 HB2 TYR B 49 -4.393 -8.063 2.797 1.00 10.00 H new ATOM 0 HB3 TYR B 49 -5.001 -8.946 4.184 1.00 10.00 H new ATOM 0 HD1 TYR B 49 -1.773 -9.318 2.291 1.00 10.00 H new ATOM 0 HD2 TYR B 49 -3.641 -8.366 6.002 1.00 10.00 H new ATOM 0 HE1 TYR B 49 0.432 -9.152 3.358 1.00 10.00 H new ATOM 0 HE2 TYR B 49 -1.434 -8.181 7.063 1.00 10.00 H new ATOM 0 HH TYR B 49 1.426 -7.931 5.342 1.00 10.00 H new ATOM 1542 N SER B 50 -6.306 -11.121 1.347 1.00 10.00 N ATOM 1543 CA SER B 50 -7.679 -11.544 1.129 1.00 10.00 C ATOM 1544 C SER B 50 -8.053 -12.718 2.033 1.00 10.00 C ATOM 1545 O SER B 50 -9.218 -12.904 2.377 1.00 10.00 O ATOM 1546 CB SER B 50 -7.844 -11.933 -0.338 1.00 10.00 C ATOM 1547 OG SER B 50 -6.604 -11.803 -1.021 1.00 10.00 O ATOM 0 H SER B 50 -5.691 -11.279 0.548 1.00 10.00 H new ATOM 0 HA SER B 50 -8.347 -10.719 1.376 1.00 10.00 H new ATOM 0 HB2 SER B 50 -8.203 -12.960 -0.412 1.00 10.00 H new ATOM 0 HB3 SER B 50 -8.595 -11.298 -0.808 1.00 10.00 H new ATOM 0 HG SER B 50 -6.720 -12.056 -1.961 1.00 10.00 H new ATOM 1553 N LYS B 51 -7.057 -13.505 2.412 1.00 10.00 N ATOM 1554 CA LYS B 51 -7.288 -14.663 3.264 1.00 10.00 C ATOM 1555 C LYS B 51 -7.368 -14.259 4.729 1.00 10.00 C ATOM 1556 O LYS B 51 -8.303 -14.643 5.434 1.00 10.00 O ATOM 1557 CB LYS B 51 -6.185 -15.701 3.062 1.00 10.00 C ATOM 1558 CG LYS B 51 -6.137 -16.259 1.646 1.00 10.00 C ATOM 1559 CD LYS B 51 -6.877 -17.589 1.527 1.00 10.00 C ATOM 1560 CE LYS B 51 -8.341 -17.468 1.932 1.00 10.00 C ATOM 1561 NZ LYS B 51 -9.126 -18.678 1.579 1.00 10.00 N ATOM 0 H LYS B 51 -6.083 -13.364 2.144 1.00 10.00 H new ATOM 0 HA LYS B 51 -8.244 -15.103 2.981 1.00 10.00 H new ATOM 0 HB2 LYS B 51 -5.222 -15.249 3.300 1.00 10.00 H new ATOM 0 HB3 LYS B 51 -6.334 -16.521 3.764 1.00 10.00 H new ATOM 0 HG2 LYS B 51 -6.577 -15.537 0.957 1.00 10.00 H new ATOM 0 HG3 LYS B 51 -5.098 -16.395 1.345 1.00 10.00 H new ATOM 0 HD2 LYS B 51 -6.814 -17.948 0.500 1.00 10.00 H new ATOM 0 HD3 LYS B 51 -6.388 -18.333 2.155 1.00 10.00 H new ATOM 0 HE2 LYS B 51 -8.405 -17.297 3.007 1.00 10.00 H new ATOM 0 HE3 LYS B 51 -8.780 -16.598 1.444 1.00 10.00 H new ATOM 0 HZ1 LYS B 51 -10.115 -18.549 1.874 1.00 10.00 H new ATOM 0 HZ2 LYS B 51 -9.088 -18.828 0.551 1.00 10.00 H new ATOM 0 HZ3 LYS B 51 -8.725 -19.506 2.065 1.00 10.00 H new ATOM 1575 N HIS B 52 -6.393 -13.482 5.180 1.00 10.00 N ATOM 1576 CA HIS B 52 -6.359 -13.027 6.561 1.00 10.00 C ATOM 1577 C HIS B 52 -5.328 -11.923 6.736 1.00 10.00 C ATOM 1578 O HIS B 52 -5.705 -10.836 7.213 1.00 10.00 O ATOM 1579 CB HIS B 52 -6.042 -14.183 7.511 1.00 10.00 C ATOM 1580 CG HIS B 52 -6.376 -13.875 8.936 1.00 10.00 C ATOM 1581 ND1 HIS B 52 -5.425 -13.546 9.876 1.00 10.00 N ATOM 1582 CD2 HIS B 52 -7.566 -13.831 9.579 1.00 10.00 C ATOM 1583 CE1 HIS B 52 -6.011 -13.311 11.030 1.00 10.00 C ATOM 1584 NE2 HIS B 52 -7.313 -13.478 10.880 1.00 10.00 N ATOM 1585 OXT HIS B 52 -4.143 -12.156 6.414 1.00 10.00 O ATOM 0 H HIS B 52 -5.615 -13.154 4.608 1.00 10.00 H new ATOM 0 HA HIS B 52 -7.346 -12.635 6.805 1.00 10.00 H new ATOM 0 HB2 HIS B 52 -6.596 -15.067 7.196 1.00 10.00 H new ATOM 0 HB3 HIS B 52 -4.982 -14.428 7.436 1.00 10.00 H new ATOM 0 HD2 HIS B 52 -8.535 -14.036 9.148 1.00 10.00 H new ATOM 0 HE1 HIS B 52 -5.512 -13.029 11.945 1.00 10.00 H new ATOM 0 HE2 HIS B 52 -8.015 -13.363 11.611 1.00 10.00 H new TER 1594 HIS B 52