USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 68 SER OG : rot 180:sc= -0.116 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.603 X(o=-0.72,f=-0.38) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.865 X(o=-7.2,f=-6.9) USER MOD Set 2.2: A 60 GLN : amide:sc= -6.33! C(o=-7.2!,f=-11!) USER MOD Set 3.1: A 42 MET CE :methyl 161:sc= -4.48 (180deg=-1.68) USER MOD Set 3.2: A 61 MET CE :methyl -119:sc= -5.85! (180deg=-4.74!) USER MOD Set 4.1: A 17 THR OG1 : rot 180:sc= 0.102 USER MOD Set 4.2: A 64 THR OG1 : rot -92:sc= 0.106 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0471 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.535 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 78:sc= 0.0478 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 21 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.62) USER MOD Single : A 23 GLN : amide:sc= -0.726 X(o=-0.73,f=-0.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00405 X(o=-0.004,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.000704 X(o=-0.0007,f=-0.12) USER MOD Single : A 44 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -130:sc= -0.716 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.32) USER MOD Single : A 70 SER OG : rot 140:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.112 USER MOD Single : A 80 MET CE :methyl -156:sc= -1.5 (180deg=-3.15!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -2.25! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.231 7.573 -27.671 1.00 0.00 N ATOM 2 CA GLY A 1 -19.299 7.310 -26.722 1.00 0.00 C ATOM 3 C GLY A 1 -18.736 6.835 -25.381 1.00 0.00 C ATOM 4 O GLY A 1 -17.627 7.208 -25.001 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.376 8.506 -28.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.316 7.560 -27.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.236 6.841 -28.410 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.889 8.214 -26.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.972 6.554 -27.126 1.00 0.00 H new ATOM 8 N SER A 2 -19.527 6.018 -24.700 1.00 0.00 N ATOM 9 CA SER A 2 -19.121 5.488 -23.409 1.00 0.00 C ATOM 10 C SER A 2 -18.443 6.582 -22.583 1.00 0.00 C ATOM 11 O SER A 2 -17.216 6.660 -22.537 1.00 0.00 O ATOM 12 CB SER A 2 -18.183 4.290 -23.576 1.00 0.00 C ATOM 13 OG SER A 2 -17.049 4.608 -24.378 1.00 0.00 O ATOM 0 H SER A 2 -20.446 5.710 -25.018 1.00 0.00 H new ATOM 0 HA SER A 2 -20.013 5.147 -22.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.850 3.951 -22.595 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.728 3.463 -24.031 1.00 0.00 H new ATOM 0 HG SER A 2 -16.738 5.512 -24.161 1.00 0.00 H new ATOM 19 N SER A 3 -19.271 7.401 -21.952 1.00 0.00 N ATOM 20 CA SER A 3 -18.767 8.488 -21.130 1.00 0.00 C ATOM 21 C SER A 3 -18.503 7.990 -19.707 1.00 0.00 C ATOM 22 O SER A 3 -17.380 8.078 -19.213 1.00 0.00 O ATOM 23 CB SER A 3 -19.747 9.663 -21.108 1.00 0.00 C ATOM 24 OG SER A 3 -19.076 10.916 -21.010 1.00 0.00 O ATOM 0 H SER A 3 -20.288 7.334 -21.993 1.00 0.00 H new ATOM 0 HA SER A 3 -17.831 8.839 -21.565 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.353 9.646 -22.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.429 9.550 -20.265 1.00 0.00 H new ATOM 0 HG SER A 3 -19.736 11.641 -21.001 1.00 0.00 H new ATOM 30 N GLY A 4 -19.558 7.478 -19.089 1.00 0.00 N ATOM 31 CA GLY A 4 -19.454 6.966 -17.734 1.00 0.00 C ATOM 32 C GLY A 4 -18.286 5.986 -17.605 1.00 0.00 C ATOM 33 O GLY A 4 -17.372 6.206 -16.811 1.00 0.00 O ATOM 0 H GLY A 4 -20.488 7.407 -19.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.317 7.794 -17.038 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.383 6.468 -17.458 1.00 0.00 H new ATOM 37 N SER A 5 -18.353 4.927 -18.398 1.00 0.00 N ATOM 38 CA SER A 5 -17.312 3.914 -18.383 1.00 0.00 C ATOM 39 C SER A 5 -15.938 4.576 -18.258 1.00 0.00 C ATOM 40 O SER A 5 -15.197 4.304 -17.315 1.00 0.00 O ATOM 41 CB SER A 5 -17.370 3.045 -19.641 1.00 0.00 C ATOM 42 OG SER A 5 -16.261 2.155 -19.726 1.00 0.00 O ATOM 0 H SER A 5 -19.112 4.749 -19.055 1.00 0.00 H new ATOM 0 HA SER A 5 -17.477 3.268 -17.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.297 2.471 -19.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.390 3.685 -20.523 1.00 0.00 H new ATOM 0 HG SER A 5 -16.335 1.617 -20.541 1.00 0.00 H new ATOM 48 N SER A 6 -15.640 5.433 -19.224 1.00 0.00 N ATOM 49 CA SER A 6 -14.369 6.137 -19.234 1.00 0.00 C ATOM 50 C SER A 6 -13.996 6.565 -17.813 1.00 0.00 C ATOM 51 O SER A 6 -12.939 6.194 -17.307 1.00 0.00 O ATOM 52 CB SER A 6 -14.421 7.354 -20.159 1.00 0.00 C ATOM 53 OG SER A 6 -13.137 7.680 -20.686 1.00 0.00 O ATOM 0 H SER A 6 -16.257 5.656 -20.005 1.00 0.00 H new ATOM 0 HA SER A 6 -13.605 5.458 -19.614 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.110 7.156 -20.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.816 8.209 -19.611 1.00 0.00 H new ATOM 0 HG SER A 6 -13.213 8.461 -21.273 1.00 0.00 H new ATOM 59 N GLY A 7 -14.886 7.340 -17.211 1.00 0.00 N ATOM 60 CA GLY A 7 -14.664 7.822 -15.858 1.00 0.00 C ATOM 61 C GLY A 7 -14.059 6.727 -14.978 1.00 0.00 C ATOM 62 O GLY A 7 -12.896 6.811 -14.586 1.00 0.00 O ATOM 0 H GLY A 7 -15.762 7.646 -17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.998 8.685 -15.880 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.608 8.159 -15.429 1.00 0.00 H new ATOM 66 N SER A 8 -14.876 5.724 -14.691 1.00 0.00 N ATOM 67 CA SER A 8 -14.437 4.614 -13.864 1.00 0.00 C ATOM 68 C SER A 8 -13.815 5.140 -12.569 1.00 0.00 C ATOM 69 O SER A 8 -12.596 5.266 -12.468 1.00 0.00 O ATOM 70 CB SER A 8 -13.436 3.731 -14.613 1.00 0.00 C ATOM 71 OG SER A 8 -14.025 2.509 -15.050 1.00 0.00 O ATOM 0 H SER A 8 -15.840 5.657 -15.017 1.00 0.00 H new ATOM 0 HA SER A 8 -15.307 4.004 -13.620 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.047 4.274 -15.474 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.588 3.513 -13.964 1.00 0.00 H new ATOM 0 HG SER A 8 -14.568 2.675 -15.849 1.00 0.00 H new ATOM 77 N SER A 9 -14.682 5.433 -11.610 1.00 0.00 N ATOM 78 CA SER A 9 -14.233 5.942 -10.326 1.00 0.00 C ATOM 79 C SER A 9 -14.119 4.796 -9.319 1.00 0.00 C ATOM 80 O SER A 9 -13.047 4.555 -8.766 1.00 0.00 O ATOM 81 CB SER A 9 -15.183 7.019 -9.798 1.00 0.00 C ATOM 82 OG SER A 9 -14.521 7.936 -8.930 1.00 0.00 O ATOM 0 H SER A 9 -15.693 5.327 -11.697 1.00 0.00 H new ATOM 0 HA SER A 9 -13.252 6.396 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.617 7.563 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.007 6.546 -9.265 1.00 0.00 H new ATOM 0 HG SER A 9 -15.161 8.609 -8.616 1.00 0.00 H new ATOM 88 N PHE A 10 -15.239 4.119 -9.112 1.00 0.00 N ATOM 89 CA PHE A 10 -15.278 3.004 -8.181 1.00 0.00 C ATOM 90 C PHE A 10 -14.416 3.287 -6.949 1.00 0.00 C ATOM 91 O PHE A 10 -13.222 2.993 -6.943 1.00 0.00 O ATOM 92 CB PHE A 10 -14.712 1.787 -8.917 1.00 0.00 C ATOM 93 CG PHE A 10 -15.696 0.622 -9.040 1.00 0.00 C ATOM 94 CD1 PHE A 10 -16.238 0.068 -7.922 1.00 0.00 C ATOM 95 CD2 PHE A 10 -16.027 0.139 -10.267 1.00 0.00 C ATOM 96 CE1 PHE A 10 -17.151 -1.013 -8.037 1.00 0.00 C ATOM 97 CE2 PHE A 10 -16.940 -0.943 -10.382 1.00 0.00 C ATOM 98 CZ PHE A 10 -17.482 -1.497 -9.264 1.00 0.00 C ATOM 0 H PHE A 10 -16.126 4.321 -9.573 1.00 0.00 H new ATOM 0 HA PHE A 10 -16.301 2.836 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.399 2.092 -9.916 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -13.820 1.442 -8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -15.974 0.450 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -15.596 0.578 -11.154 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.583 -1.451 -7.149 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.204 -1.326 -11.357 1.00 0.00 H new ATOM 0 HZ PHE A 10 -18.175 -2.321 -9.351 1.00 0.00 H new ATOM 108 N GLN A 11 -15.055 3.854 -5.937 1.00 0.00 N ATOM 109 CA GLN A 11 -14.362 4.180 -4.702 1.00 0.00 C ATOM 110 C GLN A 11 -13.194 5.127 -4.984 1.00 0.00 C ATOM 111 O GLN A 11 -12.757 5.257 -6.126 1.00 0.00 O ATOM 112 CB GLN A 11 -13.880 2.912 -3.993 1.00 0.00 C ATOM 113 CG GLN A 11 -14.987 2.320 -3.118 1.00 0.00 C ATOM 114 CD GLN A 11 -15.830 1.315 -3.906 1.00 0.00 C ATOM 115 OE1 GLN A 11 -15.368 0.261 -4.311 1.00 0.00 O ATOM 116 NE2 GLN A 11 -17.088 1.699 -4.100 1.00 0.00 N ATOM 0 H GLN A 11 -16.046 4.096 -5.947 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.063 4.685 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.562 2.176 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.010 3.143 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.546 1.829 -2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.625 3.120 -2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.410 2.595 -3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.731 1.098 -4.615 1.00 0.00 H new ATOM 125 N GLY A 12 -12.723 5.766 -3.923 1.00 0.00 N ATOM 126 CA GLY A 12 -11.614 6.698 -4.041 1.00 0.00 C ATOM 127 C GLY A 12 -11.290 7.339 -2.690 1.00 0.00 C ATOM 128 O GLY A 12 -12.139 7.385 -1.801 1.00 0.00 O ATOM 0 H GLY A 12 -13.089 5.657 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.735 6.177 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.862 7.474 -4.765 1.00 0.00 H new ATOM 132 N PRO A 13 -10.027 7.830 -2.576 1.00 0.00 N ATOM 133 CA PRO A 13 -9.580 8.466 -1.348 1.00 0.00 C ATOM 134 C PRO A 13 -10.175 9.869 -1.210 1.00 0.00 C ATOM 135 O PRO A 13 -10.548 10.490 -2.204 1.00 0.00 O ATOM 136 CB PRO A 13 -8.063 8.471 -1.438 1.00 0.00 C ATOM 137 CG PRO A 13 -7.731 8.263 -2.907 1.00 0.00 C ATOM 138 CD PRO A 13 -8.995 7.793 -3.608 1.00 0.00 C ATOM 0 HA PRO A 13 -9.911 7.936 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.653 9.414 -1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.633 7.679 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.370 9.190 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.936 7.526 -3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.249 8.443 -4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.874 6.787 -4.011 1.00 0.00 H new ATOM 146 N LEU A 14 -10.247 10.326 0.032 1.00 0.00 N ATOM 147 CA LEU A 14 -10.791 11.644 0.314 1.00 0.00 C ATOM 148 C LEU A 14 -9.689 12.692 0.145 1.00 0.00 C ATOM 149 O LEU A 14 -9.722 13.487 -0.793 1.00 0.00 O ATOM 150 CB LEU A 14 -11.455 11.666 1.692 1.00 0.00 C ATOM 151 CG LEU A 14 -12.890 12.194 1.736 1.00 0.00 C ATOM 152 CD1 LEU A 14 -13.465 12.103 3.151 1.00 0.00 C ATOM 153 CD2 LEU A 14 -12.969 13.616 1.176 1.00 0.00 C ATOM 0 H LEU A 14 -9.938 9.807 0.854 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.579 11.892 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.449 10.652 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.844 12.275 2.358 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.506 11.561 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.486 12.485 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.465 11.063 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.854 12.696 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.000 13.967 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.336 14.276 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.628 13.619 0.141 1.00 0.00 H new ATOM 165 N ASP A 15 -8.740 12.660 1.069 1.00 0.00 N ATOM 166 CA ASP A 15 -7.630 13.598 1.035 1.00 0.00 C ATOM 167 C ASP A 15 -6.493 13.006 0.200 1.00 0.00 C ATOM 168 O ASP A 15 -6.143 13.545 -0.849 1.00 0.00 O ATOM 169 CB ASP A 15 -7.093 13.867 2.442 1.00 0.00 C ATOM 170 CG ASP A 15 -7.976 14.764 3.311 1.00 0.00 C ATOM 171 OD1 ASP A 15 -8.072 15.964 2.973 1.00 0.00 O ATOM 172 OD2 ASP A 15 -8.535 14.230 4.293 1.00 0.00 O ATOM 0 H ASP A 15 -8.717 11.999 1.846 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.990 14.531 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.958 12.913 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.108 14.325 2.357 1.00 0.00 H new ATOM 177 N ALA A 16 -5.949 11.904 0.695 1.00 0.00 N ATOM 178 CA ALA A 16 -4.860 11.233 0.008 1.00 0.00 C ATOM 179 C ALA A 16 -4.382 10.049 0.851 1.00 0.00 C ATOM 180 O ALA A 16 -3.181 9.823 0.987 1.00 0.00 O ATOM 181 CB ALA A 16 -3.740 12.236 -0.275 1.00 0.00 C ATOM 0 H ALA A 16 -6.243 11.459 1.565 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.197 10.840 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.922 11.732 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.123 13.042 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.376 12.650 0.665 1.00 0.00 H new ATOM 187 N THR A 17 -5.348 9.324 1.396 1.00 0.00 N ATOM 188 CA THR A 17 -5.042 8.169 2.223 1.00 0.00 C ATOM 189 C THR A 17 -5.537 6.886 1.552 1.00 0.00 C ATOM 190 O THR A 17 -6.627 6.861 0.982 1.00 0.00 O ATOM 191 CB THR A 17 -5.649 8.404 3.607 1.00 0.00 C ATOM 192 OG1 THR A 17 -5.050 9.621 4.047 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.184 7.369 4.634 1.00 0.00 C ATOM 0 H THR A 17 -6.343 9.514 1.281 1.00 0.00 H new ATOM 0 HA THR A 17 -3.966 8.042 2.342 1.00 0.00 H new ATOM 0 HB THR A 17 -6.736 8.381 3.535 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.389 9.849 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.644 7.582 5.599 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.477 6.372 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.099 7.415 4.731 1.00 0.00 H new ATOM 201 N VAL A 18 -4.713 5.853 1.642 1.00 0.00 N ATOM 202 CA VAL A 18 -5.054 4.570 1.051 1.00 0.00 C ATOM 203 C VAL A 18 -4.670 3.449 2.018 1.00 0.00 C ATOM 204 O VAL A 18 -3.647 3.533 2.696 1.00 0.00 O ATOM 205 CB VAL A 18 -4.388 4.432 -0.320 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.955 5.450 -1.310 1.00 0.00 C ATOM 207 CG2 VAL A 18 -2.868 4.565 -0.206 1.00 0.00 C ATOM 0 H VAL A 18 -3.810 5.878 2.115 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.129 4.500 0.884 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.610 3.435 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.465 5.330 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.027 5.288 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.778 6.459 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.419 4.463 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.618 5.542 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.483 3.784 0.450 1.00 0.00 H new ATOM 217 N VAL A 19 -5.511 2.426 2.052 1.00 0.00 N ATOM 218 CA VAL A 19 -5.272 1.289 2.926 1.00 0.00 C ATOM 219 C VAL A 19 -4.640 0.154 2.117 1.00 0.00 C ATOM 220 O VAL A 19 -5.156 -0.227 1.068 1.00 0.00 O ATOM 221 CB VAL A 19 -6.573 0.878 3.617 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.694 0.672 2.597 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.368 -0.376 4.469 1.00 0.00 C ATOM 0 H VAL A 19 -6.359 2.360 1.489 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.570 1.555 3.716 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.871 1.689 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.608 0.380 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.866 1.601 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.408 -0.112 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.308 -0.647 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.035 -1.197 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.615 -0.179 5.232 1.00 0.00 H new ATOM 233 N VAL A 20 -3.531 -0.353 2.637 1.00 0.00 N ATOM 234 CA VAL A 20 -2.824 -1.437 1.976 1.00 0.00 C ATOM 235 C VAL A 20 -3.091 -2.745 2.724 1.00 0.00 C ATOM 236 O VAL A 20 -2.889 -2.824 3.935 1.00 0.00 O ATOM 237 CB VAL A 20 -1.335 -1.102 1.871 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.535 -2.309 1.377 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.109 0.112 0.968 1.00 0.00 C ATOM 0 H VAL A 20 -3.105 -0.033 3.507 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.188 -1.565 0.957 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.977 -0.849 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.520 -2.044 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.658 -3.137 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.896 -2.607 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.042 0.329 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.490 -0.101 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.633 0.974 1.380 1.00 0.00 H new ATOM 249 N ASN A 21 -3.540 -3.738 1.971 1.00 0.00 N ATOM 250 CA ASN A 21 -3.836 -5.039 2.548 1.00 0.00 C ATOM 251 C ASN A 21 -3.246 -6.134 1.656 1.00 0.00 C ATOM 252 O ASN A 21 -2.741 -5.850 0.571 1.00 0.00 O ATOM 253 CB ASN A 21 -5.346 -5.268 2.642 1.00 0.00 C ATOM 254 CG ASN A 21 -5.804 -5.309 4.101 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.127 -5.821 4.977 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.990 -4.744 4.312 1.00 0.00 N ATOM 0 H ASN A 21 -3.706 -3.668 0.967 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.403 -5.072 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.872 -4.472 2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.607 -6.204 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.384 -4.722 5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.505 -4.333 3.533 1.00 0.00 H new ATOM 263 N LEU A 22 -3.330 -7.361 2.147 1.00 0.00 N ATOM 264 CA LEU A 22 -2.811 -8.500 1.409 1.00 0.00 C ATOM 265 C LEU A 22 -3.952 -9.476 1.116 1.00 0.00 C ATOM 266 O LEU A 22 -4.733 -9.809 2.006 1.00 0.00 O ATOM 267 CB LEU A 22 -1.637 -9.134 2.157 1.00 0.00 C ATOM 268 CG LEU A 22 -0.269 -8.485 1.932 1.00 0.00 C ATOM 269 CD1 LEU A 22 -0.298 -7.002 2.305 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.827 -9.244 2.683 1.00 0.00 C ATOM 0 H LEU A 22 -3.750 -7.592 3.047 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.410 -8.179 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.857 -9.111 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.571 -10.183 1.868 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.032 -8.545 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.686 -6.565 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.035 -6.486 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.566 -6.896 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.789 -8.763 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.608 -9.237 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.866 -10.274 2.327 1.00 0.00 H new ATOM 282 N GLN A 23 -4.013 -9.907 -0.136 1.00 0.00 N ATOM 283 CA GLN A 23 -5.046 -10.838 -0.557 1.00 0.00 C ATOM 284 C GLN A 23 -4.752 -12.238 -0.014 1.00 0.00 C ATOM 285 O GLN A 23 -5.672 -12.996 0.287 1.00 0.00 O ATOM 286 CB GLN A 23 -5.178 -10.857 -2.081 1.00 0.00 C ATOM 287 CG GLN A 23 -5.355 -9.441 -2.634 1.00 0.00 C ATOM 288 CD GLN A 23 -6.491 -9.390 -3.658 1.00 0.00 C ATOM 289 OE1 GLN A 23 -6.288 -9.154 -4.837 1.00 0.00 O ATOM 290 NE2 GLN A 23 -7.695 -9.624 -3.142 1.00 0.00 N ATOM 0 H GLN A 23 -3.364 -9.629 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.999 -10.504 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.292 -11.315 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.031 -11.473 -2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.566 -8.751 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.426 -9.110 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.794 -9.815 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.519 -9.612 -3.743 1.00 0.00 H new ATOM 299 N SER A 24 -3.466 -12.538 0.094 1.00 0.00 N ATOM 300 CA SER A 24 -3.040 -13.833 0.595 1.00 0.00 C ATOM 301 C SER A 24 -1.873 -13.659 1.569 1.00 0.00 C ATOM 302 O SER A 24 -0.762 -14.114 1.301 1.00 0.00 O ATOM 303 CB SER A 24 -2.639 -14.763 -0.552 1.00 0.00 C ATOM 304 OG SER A 24 -3.682 -15.672 -0.892 1.00 0.00 O ATOM 0 H SER A 24 -2.705 -11.906 -0.157 1.00 0.00 H new ATOM 0 HA SER A 24 -3.879 -14.289 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.378 -14.168 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.748 -15.323 -0.270 1.00 0.00 H new ATOM 0 HG SER A 24 -3.388 -16.247 -1.629 1.00 0.00 H new ATOM 310 N PRO A 25 -2.173 -12.982 2.710 1.00 0.00 N ATOM 311 CA PRO A 25 -1.162 -12.742 3.726 1.00 0.00 C ATOM 312 C PRO A 25 -0.868 -14.017 4.519 1.00 0.00 C ATOM 313 O PRO A 25 -1.764 -14.827 4.753 1.00 0.00 O ATOM 314 CB PRO A 25 -1.727 -11.624 4.587 1.00 0.00 C ATOM 315 CG PRO A 25 -3.221 -11.598 4.308 1.00 0.00 C ATOM 316 CD PRO A 25 -3.478 -12.429 3.062 1.00 0.00 C ATOM 0 HA PRO A 25 -0.200 -12.453 3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.530 -11.807 5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.266 -10.668 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.775 -12.001 5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.564 -10.574 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.204 -13.219 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.880 -11.818 2.254 1.00 0.00 H new ATOM 324 N THR A 26 0.390 -14.156 4.910 1.00 0.00 N ATOM 325 CA THR A 26 0.813 -15.319 5.672 1.00 0.00 C ATOM 326 C THR A 26 0.536 -15.110 7.162 1.00 0.00 C ATOM 327 O THR A 26 0.165 -14.014 7.580 1.00 0.00 O ATOM 328 CB THR A 26 2.288 -15.578 5.359 1.00 0.00 C ATOM 329 OG1 THR A 26 2.399 -15.312 3.963 1.00 0.00 O ATOM 330 CG2 THR A 26 2.663 -17.055 5.488 1.00 0.00 C ATOM 0 H THR A 26 1.130 -13.483 4.714 1.00 0.00 H new ATOM 0 HA THR A 26 0.245 -16.205 5.389 1.00 0.00 H new ATOM 0 HB THR A 26 2.911 -14.986 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.325 -15.454 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.720 -17.184 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.472 -17.391 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.064 -17.644 4.794 1.00 0.00 H new ATOM 338 N LEU A 27 0.726 -16.178 7.922 1.00 0.00 N ATOM 339 CA LEU A 27 0.501 -16.126 9.356 1.00 0.00 C ATOM 340 C LEU A 27 1.043 -14.805 9.905 1.00 0.00 C ATOM 341 O LEU A 27 0.338 -14.086 10.612 1.00 0.00 O ATOM 342 CB LEU A 27 1.090 -17.363 10.036 1.00 0.00 C ATOM 343 CG LEU A 27 0.226 -18.625 9.999 1.00 0.00 C ATOM 344 CD1 LEU A 27 1.090 -19.876 9.821 1.00 0.00 C ATOM 345 CD2 LEU A 27 -0.666 -18.716 11.238 1.00 0.00 C ATOM 0 H LEU A 27 1.033 -17.085 7.571 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.566 -16.149 9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.048 -17.589 9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.295 -17.117 11.078 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.433 -18.562 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.451 -20.759 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.645 -19.805 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.790 -19.956 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.270 -19.622 11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.044 -18.745 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.321 -17.846 11.279 1.00 0.00 H new ATOM 357 N GLU A 28 2.291 -14.525 9.559 1.00 0.00 N ATOM 358 CA GLU A 28 2.936 -13.303 10.009 1.00 0.00 C ATOM 359 C GLU A 28 2.084 -12.087 9.640 1.00 0.00 C ATOM 360 O GLU A 28 1.852 -11.211 10.472 1.00 0.00 O ATOM 361 CB GLU A 28 4.346 -13.182 9.428 1.00 0.00 C ATOM 362 CG GLU A 28 4.309 -13.160 7.899 1.00 0.00 C ATOM 363 CD GLU A 28 5.655 -13.592 7.312 1.00 0.00 C ATOM 364 OE1 GLU A 28 5.897 -14.818 7.291 1.00 0.00 O ATOM 365 OE2 GLU A 28 6.410 -12.686 6.897 1.00 0.00 O ATOM 0 H GLU A 28 2.873 -15.123 8.972 1.00 0.00 H new ATOM 0 HA GLU A 28 3.028 -13.341 11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.818 -12.272 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.956 -14.018 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.522 -13.824 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.062 -12.157 7.552 1.00 0.00 H new ATOM 372 N GLU A 29 1.642 -12.071 8.391 1.00 0.00 N ATOM 373 CA GLU A 29 0.821 -10.977 7.901 1.00 0.00 C ATOM 374 C GLU A 29 -0.558 -11.011 8.562 1.00 0.00 C ATOM 375 O GLU A 29 -1.178 -9.969 8.769 1.00 0.00 O ATOM 376 CB GLU A 29 0.701 -11.021 6.377 1.00 0.00 C ATOM 377 CG GLU A 29 1.984 -10.522 5.711 1.00 0.00 C ATOM 378 CD GLU A 29 2.475 -11.513 4.653 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.756 -11.666 3.642 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.558 -12.095 4.880 1.00 0.00 O ATOM 0 H GLU A 29 1.837 -12.799 7.703 1.00 0.00 H new ATOM 0 HA GLU A 29 1.306 -10.038 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.493 -12.041 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.141 -10.407 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.804 -9.551 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.757 -10.378 6.466 1.00 0.00 H new ATOM 387 N LYS A 30 -1.000 -12.221 8.874 1.00 0.00 N ATOM 388 CA LYS A 30 -2.295 -12.405 9.506 1.00 0.00 C ATOM 389 C LYS A 30 -2.250 -11.836 10.926 1.00 0.00 C ATOM 390 O LYS A 30 -3.290 -11.567 11.524 1.00 0.00 O ATOM 391 CB LYS A 30 -2.716 -13.875 9.446 1.00 0.00 C ATOM 392 CG LYS A 30 -3.133 -14.268 8.027 1.00 0.00 C ATOM 393 CD LYS A 30 -4.108 -15.446 8.049 1.00 0.00 C ATOM 394 CE LYS A 30 -3.724 -16.495 7.003 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.598 -16.385 5.814 1.00 0.00 N ATOM 0 H LYS A 30 -0.484 -13.083 8.701 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.065 -11.854 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.891 -14.507 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.544 -14.048 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.598 -13.416 7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.250 -14.533 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.113 -15.900 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.120 -15.089 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.683 -16.361 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.808 -17.493 7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.324 -17.104 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.588 -16.535 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.497 -15.438 5.395 1.00 0.00 H new ATOM 409 N ASN A 31 -1.033 -11.670 11.424 1.00 0.00 N ATOM 410 CA ASN A 31 -0.839 -11.138 12.762 1.00 0.00 C ATOM 411 C ASN A 31 -0.605 -9.628 12.677 1.00 0.00 C ATOM 412 O ASN A 31 -1.142 -8.867 13.481 1.00 0.00 O ATOM 413 CB ASN A 31 0.383 -11.768 13.434 1.00 0.00 C ATOM 414 CG ASN A 31 -0.034 -12.888 14.389 1.00 0.00 C ATOM 415 OD1 ASN A 31 -0.442 -13.964 13.984 1.00 0.00 O ATOM 416 ND2 ASN A 31 0.092 -12.577 15.675 1.00 0.00 N ATOM 0 H ASN A 31 -0.172 -11.894 10.925 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.730 -11.365 13.347 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.056 -12.165 12.674 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.935 -11.005 13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.160 -13.258 16.391 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.440 -11.657 15.946 1.00 0.00 H new ATOM 423 N GLU A 32 0.196 -9.240 11.696 1.00 0.00 N ATOM 424 CA GLU A 32 0.507 -7.835 11.495 1.00 0.00 C ATOM 425 C GLU A 32 1.393 -7.659 10.260 1.00 0.00 C ATOM 426 O GLU A 32 2.296 -8.458 10.020 1.00 0.00 O ATOM 427 CB GLU A 32 1.173 -7.238 12.737 1.00 0.00 C ATOM 428 CG GLU A 32 2.532 -7.890 12.997 1.00 0.00 C ATOM 429 CD GLU A 32 3.031 -7.572 14.408 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.407 -8.087 15.361 1.00 0.00 O ATOM 431 OE2 GLU A 32 4.026 -6.821 14.502 1.00 0.00 O ATOM 0 H GLU A 32 0.639 -9.874 11.031 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.426 -7.296 11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.300 -6.164 12.605 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.527 -7.378 13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.452 -8.970 12.870 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.256 -7.536 12.263 1.00 0.00 H new ATOM 438 N PHE A 33 1.103 -6.606 9.509 1.00 0.00 N ATOM 439 CA PHE A 33 1.862 -6.315 8.304 1.00 0.00 C ATOM 440 C PHE A 33 3.365 -6.450 8.557 1.00 0.00 C ATOM 441 O PHE A 33 3.871 -5.982 9.576 1.00 0.00 O ATOM 442 CB PHE A 33 1.550 -4.868 7.918 1.00 0.00 C ATOM 443 CG PHE A 33 1.688 -4.579 6.422 1.00 0.00 C ATOM 444 CD1 PHE A 33 2.889 -4.195 5.912 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.611 -4.707 5.602 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.017 -3.927 4.523 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.739 -4.439 4.214 1.00 0.00 C ATOM 448 CZ PHE A 33 1.940 -4.055 3.703 1.00 0.00 C ATOM 0 H PHE A 33 0.354 -5.944 9.712 1.00 0.00 H new ATOM 0 HA PHE A 33 1.589 -7.015 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.533 -4.631 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.216 -4.204 8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.745 -4.094 6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.342 -5.013 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.970 -3.621 4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.117 -4.540 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.038 -3.852 2.647 1.00 0.00 H new ATOM 458 N PRO A 34 4.054 -7.109 7.587 1.00 0.00 N ATOM 459 CA PRO A 34 5.489 -7.312 7.695 1.00 0.00 C ATOM 460 C PRO A 34 6.249 -6.016 7.403 1.00 0.00 C ATOM 461 O PRO A 34 5.958 -5.329 6.425 1.00 0.00 O ATOM 462 CB PRO A 34 5.805 -8.422 6.706 1.00 0.00 C ATOM 463 CG PRO A 34 4.623 -8.478 5.752 1.00 0.00 C ATOM 464 CD PRO A 34 3.488 -7.677 6.368 1.00 0.00 C ATOM 0 HA PRO A 34 5.800 -7.593 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.731 -8.215 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.939 -9.375 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.897 -8.067 4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.315 -9.510 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.142 -6.896 5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.630 -8.312 6.588 1.00 0.00 H new ATOM 472 N GLU A 35 7.207 -5.722 8.269 1.00 0.00 N ATOM 473 CA GLU A 35 8.011 -4.521 8.116 1.00 0.00 C ATOM 474 C GLU A 35 8.879 -4.620 6.860 1.00 0.00 C ATOM 475 O GLU A 35 9.311 -3.604 6.318 1.00 0.00 O ATOM 476 CB GLU A 35 8.870 -4.275 9.358 1.00 0.00 C ATOM 477 CG GLU A 35 9.878 -5.408 9.561 1.00 0.00 C ATOM 478 CD GLU A 35 10.115 -5.669 11.050 1.00 0.00 C ATOM 479 OE1 GLU A 35 9.232 -6.308 11.662 1.00 0.00 O ATOM 480 OE2 GLU A 35 11.175 -5.225 11.542 1.00 0.00 O ATOM 0 H GLU A 35 7.445 -6.294 9.079 1.00 0.00 H new ATOM 0 HA GLU A 35 7.340 -3.669 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.399 -3.327 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.230 -4.191 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.511 -6.316 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.821 -5.152 9.078 1.00 0.00 H new ATOM 487 N ASP A 36 9.109 -5.853 6.433 1.00 0.00 N ATOM 488 CA ASP A 36 9.917 -6.098 5.251 1.00 0.00 C ATOM 489 C ASP A 36 9.137 -5.669 4.007 1.00 0.00 C ATOM 490 O ASP A 36 9.728 -5.260 3.009 1.00 0.00 O ATOM 491 CB ASP A 36 10.252 -7.584 5.110 1.00 0.00 C ATOM 492 CG ASP A 36 9.098 -8.539 5.422 1.00 0.00 C ATOM 493 OD1 ASP A 36 8.331 -8.829 4.478 1.00 0.00 O ATOM 494 OD2 ASP A 36 9.009 -8.957 6.596 1.00 0.00 O ATOM 0 H ASP A 36 8.749 -6.694 6.885 1.00 0.00 H new ATOM 0 HA ASP A 36 10.841 -5.528 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.592 -7.769 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.086 -7.817 5.772 1.00 0.00 H new ATOM 499 N LEU A 37 7.820 -5.778 4.107 1.00 0.00 N ATOM 500 CA LEU A 37 6.952 -5.407 3.002 1.00 0.00 C ATOM 501 C LEU A 37 6.662 -3.907 3.069 1.00 0.00 C ATOM 502 O LEU A 37 6.643 -3.228 2.044 1.00 0.00 O ATOM 503 CB LEU A 37 5.694 -6.278 2.993 1.00 0.00 C ATOM 504 CG LEU A 37 5.887 -7.732 2.560 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.542 -8.402 2.273 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.840 -7.826 1.366 1.00 0.00 C ATOM 0 H LEU A 37 7.333 -6.118 4.936 1.00 0.00 H new ATOM 0 HA LEU A 37 7.447 -5.594 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.265 -6.272 3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.962 -5.817 2.330 1.00 0.00 H new ATOM 0 HG LEU A 37 6.348 -8.276 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.708 -9.435 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.927 -8.384 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.031 -7.865 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.960 -8.870 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.430 -7.263 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.810 -7.412 1.641 1.00 0.00 H new ATOM 518 N ARG A 38 6.442 -3.433 4.287 1.00 0.00 N ATOM 519 CA ARG A 38 6.153 -2.025 4.501 1.00 0.00 C ATOM 520 C ARG A 38 7.094 -1.157 3.664 1.00 0.00 C ATOM 521 O ARG A 38 6.680 -0.573 2.664 1.00 0.00 O ATOM 522 CB ARG A 38 6.302 -1.651 5.977 1.00 0.00 C ATOM 523 CG ARG A 38 4.943 -1.637 6.679 1.00 0.00 C ATOM 524 CD ARG A 38 4.966 -2.509 7.936 1.00 0.00 C ATOM 525 NE ARG A 38 5.854 -1.906 8.955 1.00 0.00 N ATOM 526 CZ ARG A 38 5.991 -2.373 10.203 1.00 0.00 C ATOM 527 NH1 ARG A 38 5.300 -3.453 10.594 1.00 0.00 N ATOM 528 NH2 ARG A 38 6.820 -1.762 11.060 1.00 0.00 N ATOM 0 H ARG A 38 6.458 -3.999 5.135 1.00 0.00 H new ATOM 0 HA ARG A 38 5.122 -1.847 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.963 -2.363 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.769 -0.670 6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.678 -0.614 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.173 -1.997 5.996 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.957 -2.611 8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.313 -3.512 7.687 1.00 0.00 H new ATOM 0 HE ARG A 38 6.396 -1.083 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.670 -3.919 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.404 -3.809 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.347 -0.941 10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.924 -2.118 12.010 1.00 0.00 H new ATOM 542 N THR A 39 8.343 -1.099 4.104 1.00 0.00 N ATOM 543 CA THR A 39 9.346 -0.312 3.408 1.00 0.00 C ATOM 544 C THR A 39 9.222 -0.507 1.896 1.00 0.00 C ATOM 545 O THR A 39 9.154 0.464 1.144 1.00 0.00 O ATOM 546 CB THR A 39 10.719 -0.700 3.961 1.00 0.00 C ATOM 547 OG1 THR A 39 10.753 -0.103 5.254 1.00 0.00 O ATOM 548 CG2 THR A 39 11.866 -0.023 3.207 1.00 0.00 C ATOM 0 H THR A 39 8.683 -1.585 4.934 1.00 0.00 H new ATOM 0 HA THR A 39 9.201 0.755 3.579 1.00 0.00 H new ATOM 0 HB THR A 39 10.839 -1.782 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.609 -0.306 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.818 -0.332 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.833 -0.314 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.765 1.059 3.287 1.00 0.00 H new ATOM 556 N GLU A 40 9.198 -1.770 1.495 1.00 0.00 N ATOM 557 CA GLU A 40 9.084 -2.106 0.086 1.00 0.00 C ATOM 558 C GLU A 40 7.909 -1.355 -0.546 1.00 0.00 C ATOM 559 O GLU A 40 7.980 -0.946 -1.704 1.00 0.00 O ATOM 560 CB GLU A 40 8.937 -3.616 -0.108 1.00 0.00 C ATOM 561 CG GLU A 40 10.285 -4.323 0.049 1.00 0.00 C ATOM 562 CD GLU A 40 11.331 -3.725 -0.894 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.998 -2.760 -0.463 1.00 0.00 O ATOM 564 OE2 GLU A 40 11.439 -4.247 -2.025 1.00 0.00 O ATOM 0 H GLU A 40 9.256 -2.573 2.122 1.00 0.00 H new ATOM 0 HA GLU A 40 10.001 -1.796 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.228 -4.012 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.528 -3.821 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.628 -4.236 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.168 -5.387 -0.159 1.00 0.00 H new ATOM 571 N LEU A 41 6.857 -1.197 0.244 1.00 0.00 N ATOM 572 CA LEU A 41 5.669 -0.502 -0.223 1.00 0.00 C ATOM 573 C LEU A 41 5.876 1.007 -0.079 1.00 0.00 C ATOM 574 O LEU A 41 5.727 1.752 -1.046 1.00 0.00 O ATOM 575 CB LEU A 41 4.425 -1.024 0.498 1.00 0.00 C ATOM 576 CG LEU A 41 3.634 -2.113 -0.231 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.280 -3.486 -0.032 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.165 -2.103 0.197 1.00 0.00 C ATOM 0 H LEU A 41 6.802 -1.538 1.204 1.00 0.00 H new ATOM 0 HA LEU A 41 5.503 -0.701 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.729 -1.413 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.758 -0.182 0.686 1.00 0.00 H new ATOM 0 HG LEU A 41 3.660 -1.897 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.698 -4.242 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.297 -3.470 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.306 -3.725 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.625 -2.886 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.097 -2.281 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.724 -1.134 -0.038 1.00 0.00 H new ATOM 590 N MET A 42 6.216 1.412 1.136 1.00 0.00 N ATOM 591 CA MET A 42 6.444 2.818 1.419 1.00 0.00 C ATOM 592 C MET A 42 7.379 3.442 0.381 1.00 0.00 C ATOM 593 O MET A 42 7.241 4.616 0.042 1.00 0.00 O ATOM 594 CB MET A 42 7.058 2.966 2.813 1.00 0.00 C ATOM 595 CG MET A 42 6.158 2.335 3.878 1.00 0.00 C ATOM 596 SD MET A 42 4.489 2.942 3.703 1.00 0.00 S ATOM 597 CE MET A 42 3.602 1.394 3.632 1.00 0.00 C ATOM 0 H MET A 42 6.339 0.791 1.935 1.00 0.00 H new ATOM 0 HA MET A 42 5.486 3.337 1.377 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.040 2.493 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.208 4.022 3.038 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.171 1.249 3.781 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.537 2.570 4.872 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.550 1.566 3.860 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.691 0.969 2.632 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.022 0.700 4.360 1.00 0.00 H new ATOM 607 N GLN A 43 8.310 2.628 -0.095 1.00 0.00 N ATOM 608 CA GLN A 43 9.267 3.085 -1.088 1.00 0.00 C ATOM 609 C GLN A 43 8.675 2.960 -2.493 1.00 0.00 C ATOM 610 O GLN A 43 8.970 3.772 -3.369 1.00 0.00 O ATOM 611 CB GLN A 43 10.583 2.313 -0.977 1.00 0.00 C ATOM 612 CG GLN A 43 10.445 0.907 -1.565 1.00 0.00 C ATOM 613 CD GLN A 43 11.796 0.188 -1.590 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.588 0.267 -0.666 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.014 -0.515 -2.698 1.00 0.00 N ATOM 0 H GLN A 43 8.422 1.655 0.189 1.00 0.00 H new ATOM 0 HA GLN A 43 9.483 4.136 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.371 2.854 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.882 2.246 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.733 0.330 -0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.044 0.970 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.308 -0.539 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.887 -1.030 -2.812 1.00 0.00 H new ATOM 624 N THR A 44 7.851 1.937 -2.665 1.00 0.00 N ATOM 625 CA THR A 44 7.215 1.695 -3.949 1.00 0.00 C ATOM 626 C THR A 44 6.104 2.718 -4.194 1.00 0.00 C ATOM 627 O THR A 44 6.180 3.510 -5.132 1.00 0.00 O ATOM 628 CB THR A 44 6.723 0.247 -3.967 1.00 0.00 C ATOM 629 OG1 THR A 44 7.903 -0.518 -4.197 1.00 0.00 O ATOM 630 CG2 THR A 44 5.840 -0.056 -5.180 1.00 0.00 C ATOM 0 H THR A 44 7.609 1.266 -1.936 1.00 0.00 H new ATOM 0 HA THR A 44 7.919 1.824 -4.771 1.00 0.00 H new ATOM 0 HB THR A 44 6.167 0.041 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.245 -0.857 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.518 -1.097 -5.145 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.966 0.595 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.407 0.117 -6.095 1.00 0.00 H new ATOM 638 N LEU A 45 5.097 2.668 -3.335 1.00 0.00 N ATOM 639 CA LEU A 45 3.971 3.580 -3.447 1.00 0.00 C ATOM 640 C LEU A 45 4.474 5.020 -3.329 1.00 0.00 C ATOM 641 O LEU A 45 3.986 5.911 -4.023 1.00 0.00 O ATOM 642 CB LEU A 45 2.888 3.222 -2.427 1.00 0.00 C ATOM 643 CG LEU A 45 2.728 1.733 -2.113 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.455 1.476 -1.305 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.774 0.895 -3.393 1.00 0.00 C ATOM 0 H LEU A 45 5.037 2.010 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 45 3.499 3.485 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.105 3.748 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.933 3.601 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 45 3.570 1.422 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.366 0.410 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.502 2.027 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.588 1.807 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.658 -0.159 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.966 1.201 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.731 1.046 -3.892 1.00 0.00 H new ATOM 657 N GLY A 46 5.444 5.204 -2.445 1.00 0.00 N ATOM 658 CA GLY A 46 6.018 6.521 -2.228 1.00 0.00 C ATOM 659 C GLY A 46 6.543 7.113 -3.537 1.00 0.00 C ATOM 660 O GLY A 46 6.392 8.309 -3.787 1.00 0.00 O ATOM 0 H GLY A 46 5.847 4.463 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.265 7.184 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.830 6.453 -1.504 1.00 0.00 H new ATOM 664 N SER A 47 7.148 6.250 -4.340 1.00 0.00 N ATOM 665 CA SER A 47 7.696 6.673 -5.617 1.00 0.00 C ATOM 666 C SER A 47 6.687 7.557 -6.353 1.00 0.00 C ATOM 667 O SER A 47 6.978 8.711 -6.663 1.00 0.00 O ATOM 668 CB SER A 47 8.074 5.467 -6.480 1.00 0.00 C ATOM 669 OG SER A 47 9.322 5.655 -7.142 1.00 0.00 O ATOM 0 H SER A 47 7.271 5.259 -4.131 1.00 0.00 H new ATOM 0 HA SER A 47 8.602 7.248 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.126 4.576 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.293 5.292 -7.220 1.00 0.00 H new ATOM 0 HG SER A 47 9.529 4.863 -7.681 1.00 0.00 H new ATOM 675 N TYR A 48 5.522 6.981 -6.610 1.00 0.00 N ATOM 676 CA TYR A 48 4.468 7.703 -7.303 1.00 0.00 C ATOM 677 C TYR A 48 4.338 9.131 -6.770 1.00 0.00 C ATOM 678 O TYR A 48 4.792 10.079 -7.408 1.00 0.00 O ATOM 679 CB TYR A 48 3.173 6.942 -7.010 1.00 0.00 C ATOM 680 CG TYR A 48 3.032 5.631 -7.786 1.00 0.00 C ATOM 681 CD1 TYR A 48 3.526 4.457 -7.253 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.412 5.622 -9.019 1.00 0.00 C ATOM 683 CE1 TYR A 48 3.393 3.223 -7.984 1.00 0.00 C ATOM 684 CE2 TYR A 48 2.280 4.388 -9.749 1.00 0.00 C ATOM 685 CZ TYR A 48 2.777 3.249 -9.196 1.00 0.00 C ATOM 686 OH TYR A 48 2.652 2.084 -9.885 1.00 0.00 O ATOM 0 H TYR A 48 5.285 6.023 -6.351 1.00 0.00 H new ATOM 0 HA TYR A 48 4.684 7.767 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.123 6.727 -5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.325 7.585 -7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.012 4.464 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.026 6.540 -9.436 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.774 2.297 -7.578 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.797 4.367 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 48 2.967 2.212 -10.804 1.00 0.00 H new ATOM 696 N GLY A 49 3.717 9.239 -5.604 1.00 0.00 N ATOM 697 CA GLY A 49 3.522 10.535 -4.978 1.00 0.00 C ATOM 698 C GLY A 49 4.615 10.815 -3.945 1.00 0.00 C ATOM 699 O GLY A 49 5.800 10.644 -4.228 1.00 0.00 O ATOM 0 H GLY A 49 3.343 8.450 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.528 11.315 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.545 10.567 -4.496 1.00 0.00 H new ATOM 703 N THR A 50 4.179 11.240 -2.768 1.00 0.00 N ATOM 704 CA THR A 50 5.106 11.544 -1.692 1.00 0.00 C ATOM 705 C THR A 50 4.522 11.110 -0.346 1.00 0.00 C ATOM 706 O THR A 50 3.453 11.573 0.050 1.00 0.00 O ATOM 707 CB THR A 50 5.433 13.038 -1.758 1.00 0.00 C ATOM 708 OG1 THR A 50 6.781 13.078 -2.218 1.00 0.00 O ATOM 709 CG2 THR A 50 5.492 13.686 -0.374 1.00 0.00 C ATOM 0 H THR A 50 3.196 11.381 -2.536 1.00 0.00 H new ATOM 0 HA THR A 50 6.036 10.987 -1.802 1.00 0.00 H new ATOM 0 HB THR A 50 4.684 13.547 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.074 14.010 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.727 14.745 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.527 13.575 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.264 13.200 0.223 1.00 0.00 H new ATOM 717 N ILE A 51 5.249 10.225 0.320 1.00 0.00 N ATOM 718 CA ILE A 51 4.817 9.723 1.613 1.00 0.00 C ATOM 719 C ILE A 51 4.675 10.893 2.589 1.00 0.00 C ATOM 720 O ILE A 51 5.658 11.334 3.182 1.00 0.00 O ATOM 721 CB ILE A 51 5.762 8.624 2.104 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.712 7.405 1.181 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.463 8.254 3.559 1.00 0.00 C ATOM 724 CD1 ILE A 51 4.385 6.658 1.330 1.00 0.00 C ATOM 0 H ILE A 51 6.135 9.843 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 51 3.836 9.255 1.531 1.00 0.00 H new ATOM 0 HB ILE A 51 6.781 9.010 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.840 7.723 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.539 6.734 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.148 7.471 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.590 9.133 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.437 7.895 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.376 5.796 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.271 6.321 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.562 7.324 1.073 1.00 0.00 H new ATOM 736 N VAL A 52 3.443 11.362 2.725 1.00 0.00 N ATOM 737 CA VAL A 52 3.160 12.472 3.618 1.00 0.00 C ATOM 738 C VAL A 52 3.024 11.948 5.050 1.00 0.00 C ATOM 739 O VAL A 52 3.202 12.698 6.008 1.00 0.00 O ATOM 740 CB VAL A 52 1.918 13.226 3.138 1.00 0.00 C ATOM 741 CG1 VAL A 52 1.329 14.084 4.260 1.00 0.00 C ATOM 742 CG2 VAL A 52 2.236 14.077 1.907 1.00 0.00 C ATOM 0 H VAL A 52 2.630 10.993 2.232 1.00 0.00 H new ATOM 0 HA VAL A 52 3.982 13.187 3.610 1.00 0.00 H new ATOM 0 HB VAL A 52 1.168 12.489 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.448 14.609 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.048 13.445 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.072 14.810 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.337 14.603 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.011 14.802 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.588 13.433 1.101 1.00 0.00 H new ATOM 752 N LEU A 53 2.711 10.664 5.148 1.00 0.00 N ATOM 753 CA LEU A 53 2.550 10.031 6.446 1.00 0.00 C ATOM 754 C LEU A 53 1.981 8.624 6.255 1.00 0.00 C ATOM 755 O LEU A 53 1.274 8.363 5.283 1.00 0.00 O ATOM 756 CB LEU A 53 1.711 10.914 7.372 1.00 0.00 C ATOM 757 CG LEU A 53 2.411 11.415 8.637 1.00 0.00 C ATOM 758 CD1 LEU A 53 1.566 12.474 9.349 1.00 0.00 C ATOM 759 CD2 LEU A 53 2.769 10.251 9.563 1.00 0.00 C ATOM 0 H LEU A 53 2.565 10.045 4.350 1.00 0.00 H new ATOM 0 HA LEU A 53 3.516 9.920 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.368 11.779 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.824 10.355 7.669 1.00 0.00 H new ATOM 0 HG LEU A 53 3.346 11.893 8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.087 12.813 10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.404 13.320 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.604 12.044 9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.265 10.635 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.860 9.723 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.437 9.564 9.043 1.00 0.00 H new ATOM 771 N VAL A 54 2.311 7.754 7.198 1.00 0.00 N ATOM 772 CA VAL A 54 1.841 6.380 7.146 1.00 0.00 C ATOM 773 C VAL A 54 1.528 5.898 8.564 1.00 0.00 C ATOM 774 O VAL A 54 2.360 6.020 9.463 1.00 0.00 O ATOM 775 CB VAL A 54 2.870 5.502 6.430 1.00 0.00 C ATOM 776 CG1 VAL A 54 3.201 6.064 5.046 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.136 5.341 7.274 1.00 0.00 C ATOM 0 H VAL A 54 2.898 7.974 8.003 1.00 0.00 H new ATOM 0 HA VAL A 54 0.919 6.314 6.569 1.00 0.00 H new ATOM 0 HB VAL A 54 2.431 4.514 6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.934 5.422 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.294 6.103 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.611 7.069 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.850 4.713 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.579 6.320 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.882 4.875 8.226 1.00 0.00 H new ATOM 787 N ARG A 55 0.327 5.361 8.721 1.00 0.00 N ATOM 788 CA ARG A 55 -0.106 4.860 10.015 1.00 0.00 C ATOM 789 C ARG A 55 -0.503 3.387 9.907 1.00 0.00 C ATOM 790 O ARG A 55 -1.421 3.040 9.167 1.00 0.00 O ATOM 791 CB ARG A 55 -1.294 5.664 10.547 1.00 0.00 C ATOM 792 CG ARG A 55 -1.454 5.471 12.056 1.00 0.00 C ATOM 793 CD ARG A 55 -2.664 4.588 12.370 1.00 0.00 C ATOM 794 NE ARG A 55 -3.499 5.226 13.412 1.00 0.00 N ATOM 795 CZ ARG A 55 -4.356 6.228 13.178 1.00 0.00 C ATOM 796 NH1 ARG A 55 -4.497 6.714 11.937 1.00 0.00 N ATOM 797 NH2 ARG A 55 -5.073 6.745 14.185 1.00 0.00 N ATOM 0 H ARG A 55 -0.360 5.262 7.974 1.00 0.00 H new ATOM 0 HA ARG A 55 0.729 4.965 10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.151 6.722 10.325 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.206 5.352 10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.552 5.017 12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.571 6.441 12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.253 4.430 11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.331 3.607 12.709 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.417 4.881 14.368 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.951 6.321 11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.150 7.477 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.966 6.375 15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.726 7.508 14.007 1.00 0.00 H new ATOM 811 N ILE A 56 0.209 2.559 10.658 1.00 0.00 N ATOM 812 CA ILE A 56 -0.057 1.131 10.657 1.00 0.00 C ATOM 813 C ILE A 56 -1.157 0.821 11.674 1.00 0.00 C ATOM 814 O ILE A 56 -1.278 1.503 12.691 1.00 0.00 O ATOM 815 CB ILE A 56 1.234 0.344 10.889 1.00 0.00 C ATOM 816 CG1 ILE A 56 2.060 0.254 9.604 1.00 0.00 C ATOM 817 CG2 ILE A 56 0.938 -1.036 11.478 1.00 0.00 C ATOM 818 CD1 ILE A 56 3.358 -0.521 9.839 1.00 0.00 C ATOM 0 H ILE A 56 0.970 2.850 11.271 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.425 0.813 9.681 1.00 0.00 H new ATOM 0 HB ILE A 56 1.835 0.883 11.621 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.476 -0.236 8.825 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.291 1.257 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.873 -1.574 11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.423 -0.922 12.432 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.306 -1.597 10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.926 -0.570 8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.951 -0.015 10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.123 -1.531 10.174 1.00 0.00 H new ATOM 830 N ASN A 57 -1.932 -0.209 11.365 1.00 0.00 N ATOM 831 CA ASN A 57 -3.017 -0.618 12.240 1.00 0.00 C ATOM 832 C ASN A 57 -2.852 -2.097 12.595 1.00 0.00 C ATOM 833 O ASN A 57 -2.288 -2.866 11.818 1.00 0.00 O ATOM 834 CB ASN A 57 -4.373 -0.446 11.553 1.00 0.00 C ATOM 835 CG ASN A 57 -5.521 -0.698 12.533 1.00 0.00 C ATOM 836 OD1 ASN A 57 -5.505 -0.264 13.673 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.515 -1.421 12.026 1.00 0.00 N ATOM 0 H ASN A 57 -1.830 -0.772 10.521 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.983 0.006 13.133 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.453 0.562 11.145 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.449 -1.136 10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.328 -1.643 12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.464 -1.753 11.063 1.00 0.00 H new ATOM 844 N GLN A 58 -3.353 -2.451 13.769 1.00 0.00 N ATOM 845 CA GLN A 58 -3.268 -3.824 14.237 1.00 0.00 C ATOM 846 C GLN A 58 -2.999 -4.768 13.063 1.00 0.00 C ATOM 847 O GLN A 58 -2.023 -5.516 13.074 1.00 0.00 O ATOM 848 CB GLN A 58 -4.539 -4.228 14.986 1.00 0.00 C ATOM 849 CG GLN A 58 -4.426 -3.896 16.476 1.00 0.00 C ATOM 850 CD GLN A 58 -5.290 -4.840 17.315 1.00 0.00 C ATOM 851 OE1 GLN A 58 -5.259 -6.050 17.164 1.00 0.00 O ATOM 852 NE2 GLN A 58 -6.060 -4.220 18.204 1.00 0.00 N ATOM 0 H GLN A 58 -3.820 -1.810 14.411 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.435 -3.899 14.937 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.398 -3.710 14.558 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.716 -5.296 14.860 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.385 -3.973 16.791 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.736 -2.865 16.647 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.037 -3.203 18.278 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.674 -4.761 18.812 1.00 0.00 H new ATOM 861 N GLY A 59 -3.883 -4.703 12.078 1.00 0.00 N ATOM 862 CA GLY A 59 -3.754 -5.542 10.900 1.00 0.00 C ATOM 863 C GLY A 59 -4.132 -4.772 9.633 1.00 0.00 C ATOM 864 O GLY A 59 -4.949 -5.236 8.840 1.00 0.00 O ATOM 0 H GLY A 59 -4.692 -4.082 12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.729 -5.904 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.394 -6.418 11.002 1.00 0.00 H new ATOM 868 N GLN A 60 -3.519 -3.607 9.483 1.00 0.00 N ATOM 869 CA GLN A 60 -3.781 -2.767 8.326 1.00 0.00 C ATOM 870 C GLN A 60 -2.644 -1.761 8.133 1.00 0.00 C ATOM 871 O GLN A 60 -1.795 -1.603 9.008 1.00 0.00 O ATOM 872 CB GLN A 60 -5.128 -2.053 8.461 1.00 0.00 C ATOM 873 CG GLN A 60 -6.116 -2.544 7.401 1.00 0.00 C ATOM 874 CD GLN A 60 -7.400 -1.712 7.421 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.916 -1.295 6.397 1.00 0.00 O ATOM 876 NE2 GLN A 60 -7.884 -1.493 8.640 1.00 0.00 N ATOM 0 H GLN A 60 -2.842 -3.225 10.143 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.831 -3.403 7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.539 -2.228 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.985 -0.977 8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.656 -2.485 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.355 -3.592 7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.402 -1.871 9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.737 -0.947 8.759 1.00 0.00 H new ATOM 885 N MET A 61 -2.665 -1.107 6.981 1.00 0.00 N ATOM 886 CA MET A 61 -1.647 -0.121 6.661 1.00 0.00 C ATOM 887 C MET A 61 -2.265 1.106 5.988 1.00 0.00 C ATOM 888 O MET A 61 -2.813 1.007 4.891 1.00 0.00 O ATOM 889 CB MET A 61 -0.607 -0.745 5.729 1.00 0.00 C ATOM 890 CG MET A 61 0.795 -0.216 6.039 1.00 0.00 C ATOM 891 SD MET A 61 0.738 1.549 6.295 1.00 0.00 S ATOM 892 CE MET A 61 2.485 1.907 6.376 1.00 0.00 C ATOM 0 H MET A 61 -3.371 -1.241 6.257 1.00 0.00 H new ATOM 0 HA MET A 61 -1.172 0.197 7.589 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.622 -1.830 5.836 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.862 -0.523 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.190 -0.708 6.928 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.471 -0.451 5.217 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.724 2.333 7.350 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.052 0.987 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.747 2.620 5.594 1.00 0.00 H new ATOM 902 N LEU A 62 -2.155 2.235 6.673 1.00 0.00 N ATOM 903 CA LEU A 62 -2.695 3.481 6.155 1.00 0.00 C ATOM 904 C LEU A 62 -1.560 4.316 5.560 1.00 0.00 C ATOM 905 O LEU A 62 -0.736 4.861 6.292 1.00 0.00 O ATOM 906 CB LEU A 62 -3.493 4.210 7.238 1.00 0.00 C ATOM 907 CG LEU A 62 -4.827 3.573 7.632 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.674 2.710 8.886 1.00 0.00 C ATOM 909 CD2 LEU A 62 -5.915 4.636 7.797 1.00 0.00 C ATOM 0 H LEU A 62 -1.700 2.313 7.582 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.402 3.284 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.872 4.285 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.686 5.227 6.897 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.142 2.913 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.637 2.269 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.951 1.917 8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.325 3.328 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.853 4.156 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.621 5.340 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.048 5.170 6.856 1.00 0.00 H new ATOM 921 N VAL A 63 -1.554 4.391 4.237 1.00 0.00 N ATOM 922 CA VAL A 63 -0.534 5.151 3.535 1.00 0.00 C ATOM 923 C VAL A 63 -1.138 6.463 3.030 1.00 0.00 C ATOM 924 O VAL A 63 -2.149 6.455 2.329 1.00 0.00 O ATOM 925 CB VAL A 63 0.073 4.302 2.416 1.00 0.00 C ATOM 926 CG1 VAL A 63 1.292 4.995 1.802 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.434 2.904 2.922 1.00 0.00 C ATOM 0 H VAL A 63 -2.240 3.938 3.633 1.00 0.00 H new ATOM 0 HA VAL A 63 0.283 5.408 4.209 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.679 4.191 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.705 4.371 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.993 5.958 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.048 5.151 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.863 2.322 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.160 2.986 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.464 2.407 3.289 1.00 0.00 H new ATOM 937 N THR A 64 -0.493 7.557 3.406 1.00 0.00 N ATOM 938 CA THR A 64 -0.954 8.874 3.000 1.00 0.00 C ATOM 939 C THR A 64 0.024 9.497 2.002 1.00 0.00 C ATOM 940 O THR A 64 1.226 9.248 2.067 1.00 0.00 O ATOM 941 CB THR A 64 -1.153 9.715 4.262 1.00 0.00 C ATOM 942 OG1 THR A 64 -2.090 8.969 5.033 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.871 11.036 3.979 1.00 0.00 C ATOM 0 H THR A 64 0.345 7.559 3.987 1.00 0.00 H new ATOM 0 HA THR A 64 -1.909 8.815 2.478 1.00 0.00 H new ATOM 0 HB THR A 64 -0.184 9.919 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.998 9.276 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.986 11.594 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.285 11.625 3.273 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.854 10.832 3.554 1.00 0.00 H new ATOM 951 N PHE A 65 -0.529 10.296 1.101 1.00 0.00 N ATOM 952 CA PHE A 65 0.279 10.957 0.091 1.00 0.00 C ATOM 953 C PHE A 65 -0.064 12.446 0.001 1.00 0.00 C ATOM 954 O PHE A 65 -1.028 12.902 0.614 1.00 0.00 O ATOM 955 CB PHE A 65 -0.044 10.290 -1.248 1.00 0.00 C ATOM 956 CG PHE A 65 0.450 8.846 -1.358 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.782 8.577 -1.308 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.443 7.831 -1.507 1.00 0.00 C ATOM 959 CE1 PHE A 65 2.241 7.237 -1.410 1.00 0.00 C ATOM 960 CE2 PHE A 65 0.015 6.491 -1.609 1.00 0.00 C ATOM 961 CZ PHE A 65 1.347 6.222 -1.559 1.00 0.00 C ATOM 0 H PHE A 65 -1.527 10.500 1.050 1.00 0.00 H new ATOM 0 HA PHE A 65 1.335 10.870 0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.123 10.307 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.400 10.878 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.491 9.383 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.501 8.044 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.299 7.024 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.695 5.685 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.695 5.203 -1.638 1.00 0.00 H new ATOM 971 N ALA A 66 0.743 13.161 -0.768 1.00 0.00 N ATOM 972 CA ALA A 66 0.537 14.588 -0.946 1.00 0.00 C ATOM 973 C ALA A 66 -0.418 14.819 -2.119 1.00 0.00 C ATOM 974 O ALA A 66 -1.360 15.602 -2.012 1.00 0.00 O ATOM 975 CB ALA A 66 1.888 15.278 -1.149 1.00 0.00 C ATOM 0 H ALA A 66 1.541 12.779 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 66 0.079 15.023 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.733 16.349 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.518 15.109 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.376 14.869 -2.033 1.00 0.00 H new ATOM 981 N ASP A 67 -0.140 14.123 -3.212 1.00 0.00 N ATOM 982 CA ASP A 67 -0.963 14.242 -4.404 1.00 0.00 C ATOM 983 C ASP A 67 -1.974 13.095 -4.437 1.00 0.00 C ATOM 984 O ASP A 67 -1.702 12.007 -3.930 1.00 0.00 O ATOM 985 CB ASP A 67 -0.111 14.157 -5.672 1.00 0.00 C ATOM 986 CG ASP A 67 0.074 15.481 -6.416 1.00 0.00 C ATOM 987 OD1 ASP A 67 -0.937 15.970 -6.965 1.00 0.00 O ATOM 988 OD2 ASP A 67 1.223 15.975 -6.420 1.00 0.00 O ATOM 0 H ASP A 67 0.643 13.475 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.466 15.208 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.871 13.766 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.567 13.437 -6.351 1.00 0.00 H new ATOM 993 N SER A 68 -3.121 13.376 -5.038 1.00 0.00 N ATOM 994 CA SER A 68 -4.175 12.381 -5.144 1.00 0.00 C ATOM 995 C SER A 68 -3.996 11.564 -6.425 1.00 0.00 C ATOM 996 O SER A 68 -4.079 10.337 -6.399 1.00 0.00 O ATOM 997 CB SER A 68 -5.556 13.038 -5.123 1.00 0.00 C ATOM 998 OG SER A 68 -5.812 13.783 -6.310 1.00 0.00 O ATOM 0 H SER A 68 -3.344 14.279 -5.457 1.00 0.00 H new ATOM 0 HA SER A 68 -4.105 11.716 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.321 12.270 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.630 13.697 -4.258 1.00 0.00 H new ATOM 0 HG SER A 68 -6.704 14.185 -6.258 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.753 12.276 -7.515 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.561 11.632 -8.803 1.00 0.00 C ATOM 1006 C HIS A 69 -2.583 10.465 -8.653 1.00 0.00 C ATOM 1007 O HIS A 69 -2.645 9.498 -9.410 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.116 12.647 -9.858 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.812 13.983 -9.757 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.194 15.177 -10.085 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -5.079 14.300 -9.363 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -4.059 16.162 -9.892 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -5.226 15.617 -9.444 1.00 0.00 N ATOM 0 H HIS A 69 -3.685 13.294 -7.533 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.509 11.224 -9.154 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.041 12.801 -9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.296 12.229 -10.848 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.834 13.599 -9.040 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.872 17.212 -10.060 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.072 16.136 -9.210 1.00 0.00 H new ATOM 1021 N SER A 70 -1.704 10.595 -7.670 1.00 0.00 N ATOM 1022 CA SER A 70 -0.714 9.563 -7.411 1.00 0.00 C ATOM 1023 C SER A 70 -1.389 8.331 -6.804 1.00 0.00 C ATOM 1024 O SER A 70 -1.352 7.248 -7.388 1.00 0.00 O ATOM 1025 CB SER A 70 0.387 10.077 -6.481 1.00 0.00 C ATOM 1026 OG SER A 70 1.335 10.885 -7.172 1.00 0.00 O ATOM 0 H SER A 70 -1.657 11.399 -7.044 1.00 0.00 H new ATOM 0 HA SER A 70 -0.252 9.287 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.062 10.655 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.898 9.231 -6.022 1.00 0.00 H new ATOM 0 HG SER A 70 1.585 11.648 -6.611 1.00 0.00 H new ATOM 1032 N ALA A 71 -1.990 8.537 -5.642 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.672 7.457 -4.950 1.00 0.00 C ATOM 1034 C ALA A 71 -3.567 6.708 -5.939 1.00 0.00 C ATOM 1035 O ALA A 71 -3.868 5.532 -5.743 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.457 8.024 -3.766 1.00 0.00 C ATOM 0 H ALA A 71 -2.019 9.436 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.952 6.742 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.969 7.213 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.771 8.519 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.191 8.744 -4.128 1.00 0.00 H new ATOM 1042 N LEU A 72 -3.968 7.421 -6.982 1.00 0.00 N ATOM 1043 CA LEU A 72 -4.823 6.839 -8.002 1.00 0.00 C ATOM 1044 C LEU A 72 -4.033 5.788 -8.784 1.00 0.00 C ATOM 1045 O LEU A 72 -4.418 4.620 -8.824 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.428 7.935 -8.883 1.00 0.00 C ATOM 1047 CG LEU A 72 -5.484 7.635 -10.382 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -6.334 6.394 -10.661 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -5.974 8.854 -11.167 1.00 0.00 C ATOM 0 H LEU A 72 -3.716 8.396 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.669 6.327 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.441 8.136 -8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.853 8.850 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.473 7.416 -10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.357 6.203 -11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.902 5.534 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.349 6.559 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.005 8.614 -12.230 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.973 9.128 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.294 9.690 -11.003 1.00 0.00 H new ATOM 1061 N SER A 73 -2.943 6.240 -9.387 1.00 0.00 N ATOM 1062 CA SER A 73 -2.096 5.352 -10.165 1.00 0.00 C ATOM 1063 C SER A 73 -1.792 4.084 -9.366 1.00 0.00 C ATOM 1064 O SER A 73 -2.089 2.977 -9.814 1.00 0.00 O ATOM 1065 CB SER A 73 -0.796 6.048 -10.571 1.00 0.00 C ATOM 1066 OG SER A 73 -0.871 7.461 -10.402 1.00 0.00 O ATOM 0 H SER A 73 -2.627 7.209 -9.352 1.00 0.00 H new ATOM 0 HA SER A 73 -2.631 5.080 -11.075 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.027 5.655 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.572 5.819 -11.613 1.00 0.00 H new ATOM 0 HG SER A 73 -0.021 7.868 -10.671 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.204 4.287 -8.196 1.00 0.00 N ATOM 1073 CA VAL A 74 -0.857 3.173 -7.330 1.00 0.00 C ATOM 1074 C VAL A 74 -2.117 2.364 -7.017 1.00 0.00 C ATOM 1075 O VAL A 74 -2.056 1.143 -6.878 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.150 3.688 -6.074 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -1.017 4.711 -5.337 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.238 2.531 -5.151 1.00 0.00 C ATOM 0 H VAL A 74 -0.959 5.206 -7.828 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.157 2.504 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 74 0.766 4.189 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.491 5.061 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.221 5.556 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.958 4.246 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.739 2.924 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.659 1.989 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.911 1.855 -5.678 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.229 3.076 -6.915 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.502 2.439 -6.622 1.00 0.00 C ATOM 1090 C LEU A 75 -4.879 1.507 -7.775 1.00 0.00 C ATOM 1091 O LEU A 75 -5.605 0.534 -7.579 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.568 3.491 -6.307 1.00 0.00 C ATOM 1093 CG LEU A 75 -5.720 3.872 -4.833 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -6.460 5.203 -4.685 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.395 2.749 -4.044 1.00 0.00 C ATOM 0 H LEU A 75 -3.275 4.088 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.422 1.822 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.338 4.394 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.529 3.125 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.725 4.009 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.555 5.451 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.901 5.989 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.452 5.119 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.491 3.045 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.384 2.557 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.791 1.844 -4.111 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.369 1.838 -8.952 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.643 1.043 -10.137 1.00 0.00 C ATOM 1109 C ASP A 76 -3.575 -0.045 -10.274 1.00 0.00 C ATOM 1110 O ASP A 76 -3.877 -1.169 -10.673 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.604 1.905 -11.400 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.848 1.811 -12.285 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.952 1.719 -11.705 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -5.668 1.835 -13.522 1.00 0.00 O ATOM 0 H ASP A 76 -3.767 2.646 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.636 0.607 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.462 2.945 -11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.734 1.619 -11.991 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.350 0.327 -9.935 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.236 -0.603 -10.015 1.00 0.00 C ATOM 1121 C VAL A 77 -1.253 -1.519 -8.790 1.00 0.00 C ATOM 1122 O VAL A 77 -0.508 -2.496 -8.730 1.00 0.00 O ATOM 1123 CB VAL A 77 0.078 0.166 -10.168 1.00 0.00 C ATOM 1124 CG1 VAL A 77 1.280 -0.768 -10.024 1.00 0.00 C ATOM 1125 CG2 VAL A 77 0.122 0.915 -11.502 1.00 0.00 C ATOM 0 H VAL A 77 -2.104 1.260 -9.604 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.331 -1.237 -10.897 1.00 0.00 H new ATOM 0 HB VAL A 77 0.130 0.904 -9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.201 -0.196 -10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.262 -1.235 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.235 -1.539 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.066 1.453 -11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.036 0.202 -12.322 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.705 1.623 -11.549 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.111 -1.171 -7.842 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.235 -1.949 -6.622 1.00 0.00 C ATOM 1137 C ASP A 78 -2.135 -3.438 -6.960 1.00 0.00 C ATOM 1138 O ASP A 78 -1.426 -4.185 -6.287 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.587 -1.707 -5.948 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.741 -2.553 -6.491 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.984 -2.464 -7.714 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.353 -3.271 -5.671 1.00 0.00 O ATOM 0 H ASP A 78 -2.727 -0.360 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.436 -1.645 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.484 -1.902 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.846 -0.654 -6.056 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.856 -3.826 -8.002 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.857 -5.212 -8.437 1.00 0.00 C ATOM 1149 C GLY A 79 -1.462 -5.828 -8.310 1.00 0.00 C ATOM 1150 O GLY A 79 -1.329 -7.031 -8.093 1.00 0.00 O ATOM 0 H GLY A 79 -3.444 -3.204 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.567 -5.784 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.192 -5.272 -9.473 1.00 0.00 H new ATOM 1154 N MET A 80 -0.458 -4.975 -8.449 1.00 0.00 N ATOM 1155 CA MET A 80 0.921 -5.420 -8.352 1.00 0.00 C ATOM 1156 C MET A 80 1.087 -6.454 -7.236 1.00 0.00 C ATOM 1157 O MET A 80 0.353 -6.430 -6.249 1.00 0.00 O ATOM 1158 CB MET A 80 1.827 -4.219 -8.073 1.00 0.00 C ATOM 1159 CG MET A 80 1.772 -3.821 -6.597 1.00 0.00 C ATOM 1160 SD MET A 80 2.764 -2.364 -6.319 1.00 0.00 S ATOM 1161 CE MET A 80 1.547 -1.300 -5.561 1.00 0.00 C ATOM 0 H MET A 80 -0.572 -3.977 -8.628 1.00 0.00 H new ATOM 0 HA MET A 80 1.200 -5.885 -9.297 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.853 -4.461 -8.350 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.520 -3.376 -8.692 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.740 -3.630 -6.302 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.134 -4.641 -5.977 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.834 -0.258 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.574 -1.475 -6.020 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.489 -1.516 -4.494 1.00 0.00 H new ATOM 1171 N LYS A 81 2.055 -7.338 -7.431 1.00 0.00 N ATOM 1172 CA LYS A 81 2.325 -8.378 -6.454 1.00 0.00 C ATOM 1173 C LYS A 81 3.690 -8.124 -5.810 1.00 0.00 C ATOM 1174 O LYS A 81 4.659 -7.816 -6.501 1.00 0.00 O ATOM 1175 CB LYS A 81 2.196 -9.762 -7.094 1.00 0.00 C ATOM 1176 CG LYS A 81 0.736 -10.219 -7.120 1.00 0.00 C ATOM 1177 CD LYS A 81 0.370 -10.808 -8.484 1.00 0.00 C ATOM 1178 CE LYS A 81 -1.148 -10.903 -8.650 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.550 -10.465 -10.006 1.00 0.00 N ATOM 0 H LYS A 81 2.661 -7.355 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 81 1.584 -8.351 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.591 -9.735 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.796 -10.482 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.571 -10.964 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.083 -9.375 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.788 -10.187 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.814 -11.798 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.475 -11.929 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.641 -10.284 -7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.583 -10.536 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.255 -9.479 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.094 -11.073 -10.716 1.00 0.00 H new ATOM 1193 N VAL A 82 3.722 -8.264 -4.492 1.00 0.00 N ATOM 1194 CA VAL A 82 4.951 -8.053 -3.747 1.00 0.00 C ATOM 1195 C VAL A 82 5.328 -9.344 -3.018 1.00 0.00 C ATOM 1196 O VAL A 82 4.521 -9.899 -2.273 1.00 0.00 O ATOM 1197 CB VAL A 82 4.794 -6.858 -2.805 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.329 -6.660 -2.411 1.00 0.00 C ATOM 1199 CG2 VAL A 82 5.678 -7.017 -1.566 1.00 0.00 C ATOM 0 H VAL A 82 2.916 -8.521 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 82 5.771 -7.810 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 82 5.121 -5.965 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.245 -5.804 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.733 -6.481 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.964 -7.554 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.548 -6.154 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.395 -7.923 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.722 -7.087 -1.871 1.00 0.00 H new ATOM 1209 N LYS A 83 6.554 -9.786 -3.257 1.00 0.00 N ATOM 1210 CA LYS A 83 7.047 -11.001 -2.632 1.00 0.00 C ATOM 1211 C LYS A 83 6.146 -12.173 -3.025 1.00 0.00 C ATOM 1212 O LYS A 83 5.935 -13.092 -2.234 1.00 0.00 O ATOM 1213 CB LYS A 83 7.182 -10.809 -1.120 1.00 0.00 C ATOM 1214 CG LYS A 83 8.638 -10.546 -0.728 1.00 0.00 C ATOM 1215 CD LYS A 83 9.146 -9.245 -1.352 1.00 0.00 C ATOM 1216 CE LYS A 83 10.590 -8.963 -0.929 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.400 -8.549 -2.097 1.00 0.00 N ATOM 0 H LYS A 83 7.221 -9.324 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 83 8.049 -11.235 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.559 -9.974 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.817 -11.697 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.722 -10.490 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.262 -11.378 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.088 -9.311 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.506 -8.417 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.607 -8.180 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.023 -9.855 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.377 -8.361 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.398 -9.308 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.995 -7.686 -2.512 1.00 0.00 H new ATOM 1231 N GLY A 84 5.638 -12.104 -4.246 1.00 0.00 N ATOM 1232 CA GLY A 84 4.764 -13.148 -4.754 1.00 0.00 C ATOM 1233 C GLY A 84 3.391 -13.089 -4.081 1.00 0.00 C ATOM 1234 O GLY A 84 2.534 -13.935 -4.335 1.00 0.00 O ATOM 0 H GLY A 84 5.815 -11.341 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.649 -13.039 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.217 -14.124 -4.579 1.00 0.00 H new ATOM 1238 N ARG A 85 3.224 -12.082 -3.237 1.00 0.00 N ATOM 1239 CA ARG A 85 1.970 -11.902 -2.526 1.00 0.00 C ATOM 1240 C ARG A 85 1.143 -10.793 -3.181 1.00 0.00 C ATOM 1241 O ARG A 85 1.674 -9.736 -3.520 1.00 0.00 O ATOM 1242 CB ARG A 85 2.215 -11.547 -1.058 1.00 0.00 C ATOM 1243 CG ARG A 85 2.061 -12.778 -0.163 1.00 0.00 C ATOM 1244 CD ARG A 85 3.314 -13.655 -0.217 1.00 0.00 C ATOM 1245 NE ARG A 85 3.043 -14.964 0.418 1.00 0.00 N ATOM 1246 CZ ARG A 85 3.796 -16.057 0.236 1.00 0.00 C ATOM 1247 NH1 ARG A 85 4.871 -16.005 -0.562 1.00 0.00 N ATOM 1248 NH2 ARG A 85 3.475 -17.203 0.852 1.00 0.00 N ATOM 0 H ARG A 85 3.936 -11.382 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 85 1.424 -12.844 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.216 -11.132 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.512 -10.775 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.876 -12.464 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.194 -13.357 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.622 -13.801 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.139 -13.157 0.294 1.00 0.00 H new ATOM 0 HE ARG A 85 2.232 -15.039 1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.116 -15.133 -1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.444 -16.837 -0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.657 -17.243 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.049 -18.035 0.713 1.00 0.00 H new ATOM 1262 N ALA A 86 -0.142 -11.072 -3.339 1.00 0.00 N ATOM 1263 CA ALA A 86 -1.047 -10.111 -3.947 1.00 0.00 C ATOM 1264 C ALA A 86 -1.450 -9.066 -2.905 1.00 0.00 C ATOM 1265 O ALA A 86 -1.914 -9.413 -1.820 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.254 -10.846 -4.533 1.00 0.00 C ATOM 0 H ALA A 86 -0.578 -11.950 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.556 -9.587 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.933 -10.125 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.916 -11.555 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.774 -11.382 -3.739 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.258 -7.807 -3.271 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.596 -6.709 -2.381 1.00 0.00 C ATOM 1274 C VAL A 87 -2.913 -6.077 -2.835 1.00 0.00 C ATOM 1275 O VAL A 87 -3.364 -6.310 -3.956 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.441 -5.708 -2.324 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.045 -5.350 -3.730 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.841 -4.452 -1.546 1.00 0.00 C ATOM 0 H VAL A 87 -0.873 -7.523 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.744 -7.073 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 87 0.386 -6.181 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.866 -4.637 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.389 -6.252 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.774 -4.906 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.002 -3.757 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.691 -3.977 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.115 -4.727 -0.528 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.494 -5.289 -1.942 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.750 -4.622 -2.237 1.00 0.00 C ATOM 1290 C LYS A 88 -4.743 -3.228 -1.606 1.00 0.00 C ATOM 1291 O LYS A 88 -4.711 -3.097 -0.383 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.933 -5.489 -1.800 1.00 0.00 C ATOM 1293 CG LYS A 88 -7.189 -5.149 -2.605 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.227 -6.268 -2.500 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.574 -5.821 -3.073 1.00 0.00 C ATOM 1296 NZ LYS A 88 -10.613 -5.828 -2.019 1.00 0.00 N ATOM 0 H LYS A 88 -3.117 -5.098 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.865 -4.485 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.685 -6.542 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.126 -5.339 -0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.617 -4.215 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.924 -4.991 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.874 -7.148 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.350 -6.558 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.482 -4.820 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.868 -6.484 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.521 -5.522 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.712 -6.789 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.338 -5.177 -1.256 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.773 -2.223 -2.468 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.770 -0.844 -2.010 1.00 0.00 C ATOM 1312 C ILE A 89 -6.163 -0.242 -2.209 1.00 0.00 C ATOM 1313 O ILE A 89 -6.627 -0.103 -3.339 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.655 -0.053 -2.697 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.298 -0.732 -2.496 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.643 1.402 -2.225 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.465 -0.681 -3.779 1.00 0.00 C ATOM 0 H ILE A 89 -4.800 -2.336 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.551 -0.798 -0.943 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.855 -0.042 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.757 -0.240 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.447 -1.769 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.841 1.941 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.599 1.869 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.480 1.434 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.506 -1.170 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.998 -1.194 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.297 0.358 -4.063 1.00 0.00 H new ATOM 1329 N SER A 90 -6.790 0.099 -1.092 1.00 0.00 N ATOM 1330 CA SER A 90 -8.120 0.682 -1.130 1.00 0.00 C ATOM 1331 C SER A 90 -8.082 2.109 -0.578 1.00 0.00 C ATOM 1332 O SER A 90 -7.009 2.694 -0.436 1.00 0.00 O ATOM 1333 CB SER A 90 -9.117 -0.166 -0.337 1.00 0.00 C ATOM 1334 OG SER A 90 -10.368 -0.287 -1.009 1.00 0.00 O ATOM 0 H SER A 90 -6.401 -0.017 -0.156 1.00 0.00 H new ATOM 0 HA SER A 90 -8.451 0.708 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.697 -1.158 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.274 0.282 0.644 1.00 0.00 H new ATOM 0 HG SER A 90 -10.976 -0.837 -0.472 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.265 2.627 -0.282 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.379 3.974 0.251 1.00 0.00 C ATOM 1342 C GLY A 91 -10.249 3.993 1.510 1.00 0.00 C ATOM 1343 O GLY A 91 -11.464 3.816 1.432 1.00 0.00 O ATOM 0 H GLY A 91 -10.152 2.139 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.387 4.362 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.810 4.632 -0.503 1.00 0.00 H new ATOM 1347 N PRO A 92 -9.576 4.216 2.670 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.274 4.260 3.944 1.00 0.00 C ATOM 1349 C PRO A 92 -11.046 5.572 4.100 1.00 0.00 C ATOM 1350 O PRO A 92 -12.038 5.630 4.825 1.00 0.00 O ATOM 1351 CB PRO A 92 -9.189 4.081 4.993 1.00 0.00 C ATOM 1352 CG PRO A 92 -7.878 4.408 4.298 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.137 4.430 2.800 1.00 0.00 C ATOM 0 HA PRO A 92 -11.031 3.481 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.355 4.742 5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.183 3.061 5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.498 5.373 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.120 3.664 4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.837 5.381 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.573 3.650 2.289 1.00 0.00 H new ATOM 1361 N SER A 93 -10.562 6.593 3.408 1.00 0.00 N ATOM 1362 CA SER A 93 -11.194 7.900 3.461 1.00 0.00 C ATOM 1363 C SER A 93 -10.991 8.524 4.843 1.00 0.00 C ATOM 1364 O SER A 93 -10.218 9.468 4.993 1.00 0.00 O ATOM 1365 CB SER A 93 -12.686 7.803 3.136 1.00 0.00 C ATOM 1366 OG SER A 93 -13.279 9.088 2.963 1.00 0.00 O ATOM 0 H SER A 93 -9.739 6.541 2.807 1.00 0.00 H new ATOM 0 HA SER A 93 -10.727 8.537 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.822 7.216 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.198 7.272 3.939 1.00 0.00 H new ATOM 0 HG SER A 93 -14.231 8.984 2.755 1.00 0.00 H new ATOM 1372 N SER A 94 -11.699 7.971 5.816 1.00 0.00 N ATOM 1373 CA SER A 94 -11.606 8.462 7.181 1.00 0.00 C ATOM 1374 C SER A 94 -12.031 7.367 8.161 1.00 0.00 C ATOM 1375 O SER A 94 -12.665 6.388 7.768 1.00 0.00 O ATOM 1376 CB SER A 94 -12.467 9.712 7.376 1.00 0.00 C ATOM 1377 OG SER A 94 -13.839 9.468 7.078 1.00 0.00 O ATOM 0 H SER A 94 -12.340 7.188 5.687 1.00 0.00 H new ATOM 0 HA SER A 94 -10.569 8.734 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.376 10.058 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.094 10.512 6.737 1.00 0.00 H new ATOM 0 HG SER A 94 -14.355 10.290 7.216 1.00 0.00 H new ATOM 1383 N GLY A 95 -11.666 7.568 9.418 1.00 0.00 N ATOM 1384 CA GLY A 95 -12.001 6.610 10.458 1.00 0.00 C ATOM 1385 C GLY A 95 -10.792 6.323 11.350 1.00 0.00 C ATOM 1386 O GLY A 95 -10.859 6.494 12.566 1.00 0.00 O ATOM 0 H GLY A 95 -11.141 8.381 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.820 6.997 11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.351 5.683 10.004 1.00 0.00 H new TER 1390 GLY A 95