USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 1 ALA N :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 MET CE :methyl -103:sc= -0.0562 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -168:sc= 0 (180deg=-0.0596) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= -0.0176 (180deg=-0.101) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0882 K(o=-0.088,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 70:sc= 0.104 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -177:sc= -0.0529 (180deg=-0.0751) USER MOD Single : A 82 MET CE :methyl -149:sc= -0.511 (180deg=-1.83!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.715 0.636 8.695 1.00 0.00 N ATOM 2 CA ALA A 1 -19.787 1.361 7.982 1.00 0.00 C ATOM 3 C ALA A 1 -19.251 2.729 7.477 1.00 0.00 C ATOM 4 O ALA A 1 -18.529 3.429 8.196 1.00 0.00 O ATOM 5 CB ALA A 1 -21.009 1.530 8.904 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.848 -0.388 8.573 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.791 0.914 8.307 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.750 0.872 9.707 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.106 0.786 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.795 2.065 8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.377 0.549 9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.721 2.096 9.790 1.00 0.00 H new ATOM 13 N SER A 2 -19.644 3.105 6.246 1.00 0.00 N ATOM 14 CA SER A 2 -19.253 4.399 5.628 1.00 0.00 C ATOM 15 C SER A 2 -17.777 4.331 5.148 1.00 0.00 C ATOM 16 O SER A 2 -16.900 5.004 5.702 1.00 0.00 O ATOM 17 CB SER A 2 -19.489 5.544 6.639 1.00 0.00 C ATOM 18 OG SER A 2 -20.092 6.674 6.015 1.00 0.00 O ATOM 0 H SER A 2 -20.238 2.529 5.650 1.00 0.00 H new ATOM 0 HA SER A 2 -19.869 4.599 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.127 5.190 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.539 5.837 7.086 1.00 0.00 H new ATOM 0 HG SER A 2 -20.230 7.380 6.680 1.00 0.00 H new ATOM 24 N MET A 3 -17.530 3.529 4.096 1.00 0.00 N ATOM 25 CA MET A 3 -16.199 3.433 3.440 1.00 0.00 C ATOM 26 C MET A 3 -16.405 3.584 1.907 1.00 0.00 C ATOM 27 O MET A 3 -15.741 2.910 1.110 1.00 0.00 O ATOM 28 CB MET A 3 -15.484 2.104 3.812 1.00 0.00 C ATOM 29 CG MET A 3 -15.367 1.802 5.318 1.00 0.00 C ATOM 30 SD MET A 3 -15.118 0.032 5.585 1.00 0.00 S ATOM 31 CE MET A 3 -16.771 -0.488 6.092 1.00 0.00 C ATOM 0 H MET A 3 -18.239 2.929 3.673 1.00 0.00 H new ATOM 0 HA MET A 3 -15.546 4.231 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.018 1.281 3.337 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.481 2.122 3.386 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.535 2.362 5.745 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.270 2.131 5.833 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.792 -0.633 7.172 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.495 0.278 5.815 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.026 -1.424 5.596 1.00 0.00 H new ATOM 41 N THR A 4 -17.312 4.499 1.515 1.00 0.00 N ATOM 42 CA THR A 4 -17.552 4.847 0.089 1.00 0.00 C ATOM 43 C THR A 4 -16.191 5.105 -0.612 1.00 0.00 C ATOM 44 O THR A 4 -16.041 4.844 -1.813 1.00 0.00 O ATOM 45 CB THR A 4 -18.541 6.046 -0.053 1.00 0.00 C ATOM 46 OG1 THR A 4 -18.621 6.473 -1.411 1.00 0.00 O ATOM 47 CG2 THR A 4 -18.209 7.277 0.811 1.00 0.00 C ATOM 0 H THR A 4 -17.899 5.018 2.168 1.00 0.00 H new ATOM 0 HA THR A 4 -18.037 4.008 -0.410 1.00 0.00 H new ATOM 0 HB THR A 4 -19.491 5.650 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.246 7.224 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.955 8.053 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.214 6.995 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.223 7.655 0.541 1.00 0.00 H new ATOM 55 N ASP A 5 -15.208 5.620 0.150 1.00 0.00 N ATOM 56 CA ASP A 5 -13.850 5.924 -0.374 1.00 0.00 C ATOM 57 C ASP A 5 -12.917 6.261 0.821 1.00 0.00 C ATOM 58 O ASP A 5 -12.486 7.407 0.985 1.00 0.00 O ATOM 59 CB ASP A 5 -13.888 7.056 -1.442 1.00 0.00 C ATOM 60 CG ASP A 5 -15.142 7.947 -1.439 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.584 8.366 -0.346 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.691 8.222 -2.528 1.00 0.00 O ATOM 0 H ASP A 5 -15.324 5.838 1.140 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.452 5.050 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.015 7.692 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.793 6.601 -2.428 1.00 0.00 H new ATOM 67 N GLN A 6 -12.595 5.233 1.629 1.00 0.00 N ATOM 68 CA GLN A 6 -11.629 5.350 2.753 1.00 0.00 C ATOM 69 C GLN A 6 -10.247 5.770 2.181 1.00 0.00 C ATOM 70 O GLN A 6 -9.456 6.426 2.873 1.00 0.00 O ATOM 71 CB GLN A 6 -11.544 4.011 3.541 1.00 0.00 C ATOM 72 CG GLN A 6 -11.453 2.722 2.689 1.00 0.00 C ATOM 73 CD GLN A 6 -11.217 1.444 3.513 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.644 1.482 4.601 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.653 0.293 3.022 1.00 0.00 N ATOM 0 H GLN A 6 -12.992 4.299 1.527 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.964 6.112 3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.672 4.052 4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.421 3.936 4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.375 2.610 2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.643 2.832 1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.127 0.271 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.515 -0.571 3.547 1.00 0.00 H new ATOM 84 N GLN A 7 -9.959 5.359 0.932 1.00 0.00 N ATOM 85 CA GLN A 7 -8.675 5.663 0.245 1.00 0.00 C ATOM 86 C GLN A 7 -8.358 7.172 0.434 1.00 0.00 C ATOM 87 O GLN A 7 -7.275 7.533 0.911 1.00 0.00 O ATOM 88 CB GLN A 7 -8.754 5.275 -1.260 1.00 0.00 C ATOM 89 CG GLN A 7 -10.002 5.773 -2.029 1.00 0.00 C ATOM 90 CD GLN A 7 -10.301 4.984 -3.315 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.980 5.419 -4.421 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.921 3.818 -3.205 1.00 0.00 N ATOM 0 H GLN A 7 -10.604 4.808 0.366 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.868 5.074 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.866 5.661 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.715 4.188 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.869 5.716 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.864 6.824 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.183 3.465 -2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.136 3.274 -4.041 1.00 0.00 H new ATOM 101 N ALA A 8 -9.301 8.041 0.027 1.00 0.00 N ATOM 102 CA ALA A 8 -9.104 9.515 0.040 1.00 0.00 C ATOM 103 C ALA A 8 -8.924 10.013 1.501 1.00 0.00 C ATOM 104 O ALA A 8 -8.193 10.978 1.751 1.00 0.00 O ATOM 105 CB ALA A 8 -10.303 10.187 -0.656 1.00 0.00 C ATOM 0 H ALA A 8 -10.216 7.752 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.199 9.782 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.167 11.268 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.371 9.834 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.221 9.934 -0.125 1.00 0.00 H new ATOM 111 N GLU A 9 -9.625 9.356 2.444 1.00 0.00 N ATOM 112 CA GLU A 9 -9.616 9.740 3.881 1.00 0.00 C ATOM 113 C GLU A 9 -8.164 9.622 4.417 1.00 0.00 C ATOM 114 O GLU A 9 -7.754 10.382 5.303 1.00 0.00 O ATOM 115 CB GLU A 9 -10.637 8.889 4.690 1.00 0.00 C ATOM 116 CG GLU A 9 -12.073 8.794 4.120 1.00 0.00 C ATOM 117 CD GLU A 9 -12.785 10.145 3.998 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.670 10.796 2.935 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.463 10.562 4.963 1.00 0.00 O ATOM 0 H GLU A 9 -10.213 8.548 2.240 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.937 10.775 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.240 7.878 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.698 9.299 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.032 8.326 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.665 8.139 4.760 1.00 0.00 H new ATOM 126 N ALA A 10 -7.408 8.641 3.890 1.00 0.00 N ATOM 127 CA ALA A 10 -6.027 8.343 4.355 1.00 0.00 C ATOM 128 C ALA A 10 -5.104 9.566 4.099 1.00 0.00 C ATOM 129 O ALA A 10 -4.300 9.940 4.960 1.00 0.00 O ATOM 130 CB ALA A 10 -5.514 7.076 3.642 1.00 0.00 C ATOM 0 H ALA A 10 -7.727 8.033 3.136 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.025 8.154 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.502 6.853 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.168 6.236 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.509 7.242 2.565 1.00 0.00 H new ATOM 136 N ARG A 11 -5.218 10.153 2.893 1.00 0.00 N ATOM 137 CA ARG A 11 -4.362 11.286 2.451 1.00 0.00 C ATOM 138 C ARG A 11 -4.766 12.547 3.264 1.00 0.00 C ATOM 139 O ARG A 11 -3.924 13.402 3.561 1.00 0.00 O ATOM 140 CB ARG A 11 -4.511 11.522 0.922 1.00 0.00 C ATOM 141 CG ARG A 11 -5.863 12.125 0.474 1.00 0.00 C ATOM 142 CD ARG A 11 -5.716 13.130 -0.685 1.00 0.00 C ATOM 143 NE ARG A 11 -6.408 12.665 -1.914 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.855 11.886 -2.865 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.539 11.781 -3.016 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.629 11.239 -3.724 1.00 0.00 N ATOM 0 H ARG A 11 -5.902 9.861 2.195 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.312 11.059 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.710 12.185 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.368 10.571 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.531 11.320 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.332 12.623 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.123 14.095 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.659 13.284 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.376 12.957 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.912 12.300 -2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.156 11.182 -3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.643 11.330 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.211 10.650 -4.444 1.00 0.00 H new ATOM 160 N ALA A 12 -6.064 12.641 3.614 1.00 0.00 N ATOM 161 CA ALA A 12 -6.601 13.756 4.439 1.00 0.00 C ATOM 162 C ALA A 12 -5.704 13.975 5.687 1.00 0.00 C ATOM 163 O ALA A 12 -5.567 15.103 6.176 1.00 0.00 O ATOM 164 CB ALA A 12 -8.060 13.447 4.831 1.00 0.00 C ATOM 0 H ALA A 12 -6.769 11.957 3.339 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.593 14.681 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.455 14.263 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.664 13.338 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.094 12.521 5.405 1.00 0.00 H new ATOM 170 N PHE A 13 -5.123 12.878 6.208 1.00 0.00 N ATOM 171 CA PHE A 13 -4.326 12.901 7.464 1.00 0.00 C ATOM 172 C PHE A 13 -3.076 13.797 7.246 1.00 0.00 C ATOM 173 O PHE A 13 -2.881 14.792 7.953 1.00 0.00 O ATOM 174 CB PHE A 13 -3.957 11.449 7.889 1.00 0.00 C ATOM 175 CG PHE A 13 -3.128 11.338 9.185 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.762 11.321 10.433 1.00 0.00 C ATOM 177 CD2 PHE A 13 -1.733 11.230 9.124 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.012 11.197 11.600 1.00 0.00 C ATOM 179 CE2 PHE A 13 -0.988 11.081 10.291 1.00 0.00 C ATOM 180 CZ PHE A 13 -1.625 11.095 11.529 1.00 0.00 C ATOM 0 H PHE A 13 -5.188 11.955 5.780 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.907 13.327 8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.877 10.879 8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.400 10.980 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.837 11.404 10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.233 11.262 8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.506 11.180 12.560 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.083 10.955 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.042 11.027 12.436 1.00 0.00 H new ATOM 190 N LEU A 14 -2.227 13.405 6.278 1.00 0.00 N ATOM 191 CA LEU A 14 -0.937 14.089 5.996 1.00 0.00 C ATOM 192 C LEU A 14 -1.213 15.251 5.003 1.00 0.00 C ATOM 193 O LEU A 14 -2.358 15.475 4.593 1.00 0.00 O ATOM 194 CB LEU A 14 0.107 13.074 5.440 1.00 0.00 C ATOM 195 CG LEU A 14 -0.413 11.986 4.456 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.251 12.604 3.319 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.733 11.141 3.864 1.00 0.00 C ATOM 0 H LEU A 14 -2.409 12.608 5.667 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.511 14.501 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.891 13.638 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.572 12.569 6.287 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.052 11.325 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.597 11.815 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.110 13.124 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.639 13.310 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.321 10.395 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.419 11.789 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.269 10.640 4.670 1.00 0.00 H new ATOM 209 N SER A 15 -0.141 15.962 4.607 1.00 0.00 N ATOM 210 CA SER A 15 -0.211 17.035 3.579 1.00 0.00 C ATOM 211 C SER A 15 0.404 16.528 2.246 1.00 0.00 C ATOM 212 O SER A 15 0.939 15.416 2.179 1.00 0.00 O ATOM 213 CB SER A 15 0.499 18.302 4.109 1.00 0.00 C ATOM 214 OG SER A 15 -0.168 19.487 3.686 1.00 0.00 O ATOM 0 H SER A 15 0.796 15.816 4.984 1.00 0.00 H new ATOM 0 HA SER A 15 -1.249 17.298 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.535 18.272 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.530 18.317 3.756 1.00 0.00 H new ATOM 0 HG SER A 15 0.303 20.271 4.038 1.00 0.00 H new ATOM 220 N GLU A 16 0.299 17.355 1.189 1.00 0.00 N ATOM 221 CA GLU A 16 0.817 17.015 -0.163 1.00 0.00 C ATOM 222 C GLU A 16 2.347 16.763 -0.067 1.00 0.00 C ATOM 223 O GLU A 16 2.881 15.883 -0.752 1.00 0.00 O ATOM 224 CB GLU A 16 0.443 18.124 -1.188 1.00 0.00 C ATOM 225 CG GLU A 16 -0.962 18.035 -1.830 1.00 0.00 C ATOM 226 CD GLU A 16 -1.533 19.387 -2.271 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.283 20.402 -1.585 1.00 0.00 O ATOM 228 OE2 GLU A 16 -2.237 19.438 -3.304 1.00 0.00 O ATOM 0 H GLU A 16 -0.143 18.273 1.240 1.00 0.00 H new ATOM 0 HA GLU A 16 0.352 16.100 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.528 19.090 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.183 18.111 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.914 17.373 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.648 17.578 -1.117 1.00 0.00 H new ATOM 235 N GLU A 17 3.025 17.551 0.795 1.00 0.00 N ATOM 236 CA GLU A 17 4.509 17.506 0.920 1.00 0.00 C ATOM 237 C GLU A 17 4.913 16.102 1.450 1.00 0.00 C ATOM 238 O GLU A 17 5.767 15.428 0.862 1.00 0.00 O ATOM 239 CB GLU A 17 5.048 18.666 1.806 1.00 0.00 C ATOM 240 CG GLU A 17 6.391 18.421 2.535 1.00 0.00 C ATOM 241 CD GLU A 17 7.125 19.704 2.937 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.983 20.729 2.234 1.00 0.00 O ATOM 243 OE2 GLU A 17 7.845 19.694 3.960 1.00 0.00 O ATOM 0 H GLU A 17 2.576 18.225 1.415 1.00 0.00 H new ATOM 0 HA GLU A 17 4.969 17.657 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.159 19.550 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.292 18.900 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.204 17.826 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.041 17.830 1.889 1.00 0.00 H new ATOM 250 N MET A 18 4.308 15.693 2.580 1.00 0.00 N ATOM 251 CA MET A 18 4.650 14.421 3.270 1.00 0.00 C ATOM 252 C MET A 18 4.399 13.250 2.281 1.00 0.00 C ATOM 253 O MET A 18 5.111 12.239 2.308 1.00 0.00 O ATOM 254 CB MET A 18 3.841 14.266 4.588 1.00 0.00 C ATOM 255 CG MET A 18 3.719 12.831 5.135 1.00 0.00 C ATOM 256 SD MET A 18 3.348 12.864 6.903 1.00 0.00 S ATOM 257 CE MET A 18 4.975 13.209 7.603 1.00 0.00 C ATOM 0 H MET A 18 3.572 16.226 3.044 1.00 0.00 H new ATOM 0 HA MET A 18 5.700 14.419 3.561 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.306 14.888 5.353 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.837 14.659 4.425 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.933 12.297 4.601 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.648 12.288 4.961 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.949 13.049 8.681 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.713 12.543 7.155 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.248 14.244 7.397 1.00 0.00 H new ATOM 267 N ILE A 19 3.360 13.395 1.437 1.00 0.00 N ATOM 268 CA ILE A 19 2.951 12.349 0.460 1.00 0.00 C ATOM 269 C ILE A 19 4.198 12.063 -0.422 1.00 0.00 C ATOM 270 O ILE A 19 4.528 10.901 -0.687 1.00 0.00 O ATOM 271 CB ILE A 19 1.665 12.760 -0.350 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.344 12.665 0.479 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.527 11.940 -1.661 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.946 13.039 -0.269 1.00 0.00 C ATOM 0 H ILE A 19 2.779 14.233 1.407 1.00 0.00 H new ATOM 0 HA ILE A 19 2.644 11.431 0.961 1.00 0.00 H new ATOM 0 HB ILE A 19 1.810 13.811 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.243 11.645 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.437 13.313 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.628 12.252 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.399 12.112 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.457 10.879 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.799 12.937 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.879 14.070 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.076 12.376 -1.124 1.00 0.00 H new ATOM 286 N ALA A 20 4.861 13.135 -0.893 1.00 0.00 N ATOM 287 CA ALA A 20 6.004 13.031 -1.840 1.00 0.00 C ATOM 288 C ALA A 20 7.062 12.033 -1.294 1.00 0.00 C ATOM 289 O ALA A 20 7.745 11.352 -2.069 1.00 0.00 O ATOM 290 CB ALA A 20 6.597 14.436 -2.061 1.00 0.00 C ATOM 0 H ALA A 20 4.628 14.094 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 20 5.665 12.645 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.436 14.372 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.832 15.092 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.943 14.839 -1.109 1.00 0.00 H new ATOM 296 N GLU A 21 7.204 11.983 0.043 1.00 0.00 N ATOM 297 CA GLU A 21 8.246 11.165 0.719 1.00 0.00 C ATOM 298 C GLU A 21 7.824 9.672 0.662 1.00 0.00 C ATOM 299 O GLU A 21 8.658 8.789 0.426 1.00 0.00 O ATOM 300 CB GLU A 21 8.493 11.675 2.169 1.00 0.00 C ATOM 301 CG GLU A 21 9.946 11.598 2.696 1.00 0.00 C ATOM 302 CD GLU A 21 10.071 11.784 4.211 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.597 10.910 4.970 1.00 0.00 O ATOM 304 OE2 GLU A 21 10.648 12.804 4.650 1.00 0.00 O ATOM 0 H GLU A 21 6.608 12.502 0.688 1.00 0.00 H new ATOM 0 HA GLU A 21 9.201 11.264 0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.166 12.713 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.856 11.103 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.370 10.632 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.543 12.361 2.196 1.00 0.00 H new ATOM 311 N PHE A 22 6.526 9.409 0.912 1.00 0.00 N ATOM 312 CA PHE A 22 5.974 8.028 0.945 1.00 0.00 C ATOM 313 C PHE A 22 6.284 7.335 -0.411 1.00 0.00 C ATOM 314 O PHE A 22 6.845 6.234 -0.444 1.00 0.00 O ATOM 315 CB PHE A 22 4.451 8.061 1.266 1.00 0.00 C ATOM 316 CG PHE A 22 4.096 8.014 2.766 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.973 7.421 3.682 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.880 8.536 3.223 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.676 7.427 5.043 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.590 8.551 4.586 1.00 0.00 C ATOM 321 CZ PHE A 22 3.482 7.984 5.493 1.00 0.00 C ATOM 0 H PHE A 22 5.833 10.134 1.096 1.00 0.00 H new ATOM 0 HA PHE A 22 6.444 7.447 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.025 8.967 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.973 7.217 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.883 6.957 3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.164 8.929 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.372 6.999 5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.674 9.002 4.939 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.247 7.976 6.547 1.00 0.00 H new ATOM 331 N LYS A 23 5.908 8.005 -1.517 1.00 0.00 N ATOM 332 CA LYS A 23 6.037 7.449 -2.891 1.00 0.00 C ATOM 333 C LYS A 23 7.545 7.253 -3.202 1.00 0.00 C ATOM 334 O LYS A 23 7.918 6.362 -3.977 1.00 0.00 O ATOM 335 CB LYS A 23 5.348 8.378 -3.933 1.00 0.00 C ATOM 336 CG LYS A 23 6.205 9.533 -4.507 1.00 0.00 C ATOM 337 CD LYS A 23 5.422 10.727 -5.097 1.00 0.00 C ATOM 338 CE LYS A 23 6.295 11.923 -5.528 1.00 0.00 C ATOM 339 NZ LYS A 23 7.546 11.501 -6.183 1.00 0.00 N ATOM 0 H LYS A 23 5.507 8.943 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 23 5.532 6.485 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.006 7.762 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.461 8.810 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.855 9.906 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.852 9.128 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.854 10.380 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.699 11.071 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.727 12.556 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.533 12.529 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.015 12.329 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.177 11.066 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.331 10.810 -6.930 1.00 0.00 H new ATOM 353 N ALA A 24 8.402 8.098 -2.599 1.00 0.00 N ATOM 354 CA ALA A 24 9.876 8.024 -2.778 1.00 0.00 C ATOM 355 C ALA A 24 10.368 6.565 -2.575 1.00 0.00 C ATOM 356 O ALA A 24 11.151 6.043 -3.378 1.00 0.00 O ATOM 357 CB ALA A 24 10.554 9.000 -1.795 1.00 0.00 C ATOM 0 H ALA A 24 8.101 8.848 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 24 10.144 8.317 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.636 8.951 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.211 10.015 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.295 8.725 -0.773 1.00 0.00 H new ATOM 363 N ALA A 25 9.919 5.931 -1.476 1.00 0.00 N ATOM 364 CA ALA A 25 10.378 4.574 -1.077 1.00 0.00 C ATOM 365 C ALA A 25 9.611 3.492 -1.885 1.00 0.00 C ATOM 366 O ALA A 25 10.152 2.421 -2.180 1.00 0.00 O ATOM 367 CB ALA A 25 10.185 4.401 0.442 1.00 0.00 C ATOM 0 H ALA A 25 9.233 6.336 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 25 11.438 4.456 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.520 3.408 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.768 5.155 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.130 4.518 0.690 1.00 0.00 H new ATOM 373 N PHE A 26 8.335 3.783 -2.205 1.00 0.00 N ATOM 374 CA PHE A 26 7.481 2.886 -3.029 1.00 0.00 C ATOM 375 C PHE A 26 8.204 2.587 -4.370 1.00 0.00 C ATOM 376 O PHE A 26 8.050 1.500 -4.941 1.00 0.00 O ATOM 377 CB PHE A 26 6.077 3.529 -3.236 1.00 0.00 C ATOM 378 CG PHE A 26 5.000 2.582 -3.803 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.032 1.214 -3.508 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.962 3.087 -4.595 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.041 0.366 -3.997 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.964 2.240 -5.070 1.00 0.00 C ATOM 383 CZ PHE A 26 3.012 0.879 -4.783 1.00 0.00 C ATOM 0 H PHE A 26 7.865 4.637 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 26 7.321 1.936 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.729 3.919 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.180 4.381 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.829 0.814 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.935 4.139 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.071 -0.689 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.153 2.639 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.250 0.219 -5.171 1.00 0.00 H new ATOM 393 N ASP A 27 8.968 3.573 -4.876 1.00 0.00 N ATOM 394 CA ASP A 27 9.635 3.487 -6.204 1.00 0.00 C ATOM 395 C ASP A 27 10.904 2.599 -6.076 1.00 0.00 C ATOM 396 O ASP A 27 11.294 1.925 -7.038 1.00 0.00 O ATOM 397 CB ASP A 27 9.948 4.899 -6.779 1.00 0.00 C ATOM 398 CG ASP A 27 8.916 5.471 -7.767 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.998 5.160 -8.976 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.027 6.238 -7.335 1.00 0.00 O ATOM 0 H ASP A 27 9.144 4.450 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 27 8.960 3.020 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.048 5.595 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.916 4.859 -7.278 1.00 0.00 H new ATOM 405 N MET A 28 11.552 2.637 -4.894 1.00 0.00 N ATOM 406 CA MET A 28 12.827 1.908 -4.648 1.00 0.00 C ATOM 407 C MET A 28 12.645 0.440 -5.121 1.00 0.00 C ATOM 408 O MET A 28 13.578 -0.174 -5.650 1.00 0.00 O ATOM 409 CB MET A 28 13.257 1.992 -3.156 1.00 0.00 C ATOM 410 CG MET A 28 14.511 2.840 -2.867 1.00 0.00 C ATOM 411 SD MET A 28 14.978 2.695 -1.127 1.00 0.00 S ATOM 412 CE MET A 28 16.771 2.871 -1.223 1.00 0.00 C ATOM 0 H MET A 28 11.217 3.165 -4.088 1.00 0.00 H new ATOM 0 HA MET A 28 13.634 2.373 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.426 2.399 -2.580 1.00 0.00 H new ATOM 0 HB3 MET A 28 13.433 0.980 -2.791 1.00 0.00 H new ATOM 0 HG2 MET A 28 15.335 2.511 -3.500 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.317 3.884 -3.113 1.00 0.00 H new ATOM 0 HE1 MET A 28 17.197 2.802 -0.222 1.00 0.00 H new ATOM 0 HE2 MET A 28 17.182 2.078 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.019 3.840 -1.657 1.00 0.00 H new ATOM 422 N PHE A 29 11.422 -0.097 -4.948 1.00 0.00 N ATOM 423 CA PHE A 29 11.089 -1.495 -5.330 1.00 0.00 C ATOM 424 C PHE A 29 10.429 -1.456 -6.735 1.00 0.00 C ATOM 425 O PHE A 29 10.654 -2.347 -7.563 1.00 0.00 O ATOM 426 CB PHE A 29 10.148 -2.175 -4.289 1.00 0.00 C ATOM 427 CG PHE A 29 10.756 -2.435 -2.895 1.00 0.00 C ATOM 428 CD1 PHE A 29 11.985 -1.865 -2.540 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.081 -3.239 -1.969 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.522 -2.085 -1.274 1.00 0.00 C ATOM 431 CE2 PHE A 29 10.619 -3.453 -0.702 1.00 0.00 C ATOM 432 CZ PHE A 29 11.838 -2.878 -0.356 1.00 0.00 C ATOM 0 H PHE A 29 10.639 0.416 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 29 11.999 -2.094 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.263 -1.551 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.812 -3.127 -4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 29 12.519 -1.252 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.140 -3.695 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 29 13.469 -1.641 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.089 -4.066 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 29 12.254 -3.047 0.626 1.00 0.00 H new ATOM 442 N ASP A 30 9.621 -0.410 -6.987 1.00 0.00 N ATOM 443 CA ASP A 30 8.885 -0.242 -8.268 1.00 0.00 C ATOM 444 C ASP A 30 9.803 0.500 -9.277 1.00 0.00 C ATOM 445 O ASP A 30 9.777 1.733 -9.364 1.00 0.00 O ATOM 446 CB ASP A 30 7.521 0.479 -8.057 1.00 0.00 C ATOM 447 CG ASP A 30 6.542 0.435 -9.242 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.549 -0.563 -9.996 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.762 1.397 -9.420 1.00 0.00 O ATOM 0 H ASP A 30 9.456 0.342 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 30 8.636 -1.221 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.030 0.037 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.719 1.523 -7.814 1.00 0.00 H new ATOM 454 N ALA A 31 10.591 -0.271 -10.049 1.00 0.00 N ATOM 455 CA ALA A 31 11.509 0.281 -11.081 1.00 0.00 C ATOM 456 C ALA A 31 10.699 1.077 -12.141 1.00 0.00 C ATOM 457 O ALA A 31 10.725 2.312 -12.162 1.00 0.00 O ATOM 458 CB ALA A 31 12.310 -0.873 -11.715 1.00 0.00 C ATOM 0 H ALA A 31 10.615 -1.288 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 31 12.215 0.974 -10.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.985 -0.474 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.889 -1.380 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.623 -1.581 -12.178 1.00 0.00 H new ATOM 464 N ASP A 32 10.008 0.341 -13.033 1.00 0.00 N ATOM 465 CA ASP A 32 9.156 0.934 -14.098 1.00 0.00 C ATOM 466 C ASP A 32 7.938 0.001 -14.337 1.00 0.00 C ATOM 467 O ASP A 32 8.026 -0.976 -15.090 1.00 0.00 O ATOM 468 CB ASP A 32 9.968 1.206 -15.398 1.00 0.00 C ATOM 469 CG ASP A 32 9.294 2.119 -16.437 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.053 2.268 -16.396 1.00 0.00 O ATOM 471 OD2 ASP A 32 10.004 2.682 -17.299 1.00 0.00 O ATOM 0 H ASP A 32 10.020 -0.679 -13.041 1.00 0.00 H new ATOM 0 HA ASP A 32 8.790 1.909 -13.776 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.924 1.650 -15.119 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.187 0.249 -15.872 1.00 0.00 H new ATOM 476 N GLY A 33 6.797 0.325 -13.697 1.00 0.00 N ATOM 477 CA GLY A 33 5.543 -0.457 -13.836 1.00 0.00 C ATOM 478 C GLY A 33 4.331 0.488 -14.031 1.00 0.00 C ATOM 479 O GLY A 33 3.967 0.833 -15.163 1.00 0.00 O ATOM 0 H GLY A 33 6.714 1.128 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.623 -1.135 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.392 -1.073 -12.950 1.00 0.00 H new ATOM 483 N GLY A 34 3.690 0.879 -12.912 1.00 0.00 N ATOM 484 CA GLY A 34 2.492 1.757 -12.938 1.00 0.00 C ATOM 485 C GLY A 34 1.951 1.972 -11.502 1.00 0.00 C ATOM 486 O GLY A 34 0.796 1.649 -11.197 1.00 0.00 O ATOM 0 H GLY A 34 3.979 0.602 -11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.747 2.718 -13.386 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.718 1.310 -13.562 1.00 0.00 H new ATOM 490 N GLY A 35 2.818 2.497 -10.614 1.00 0.00 N ATOM 491 CA GLY A 35 2.468 2.735 -9.191 1.00 0.00 C ATOM 492 C GLY A 35 1.864 1.455 -8.557 1.00 0.00 C ATOM 493 O GLY A 35 0.728 1.467 -8.067 1.00 0.00 O ATOM 0 H GLY A 35 3.772 2.767 -10.855 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.357 3.037 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.754 3.555 -9.119 1.00 0.00 H new ATOM 497 N ASP A 36 2.645 0.358 -8.577 1.00 0.00 N ATOM 498 CA ASP A 36 2.215 -0.962 -8.046 1.00 0.00 C ATOM 499 C ASP A 36 3.481 -1.798 -7.706 1.00 0.00 C ATOM 500 O ASP A 36 4.541 -1.609 -8.314 1.00 0.00 O ATOM 501 CB ASP A 36 1.260 -1.696 -9.031 1.00 0.00 C ATOM 502 CG ASP A 36 1.729 -1.776 -10.494 1.00 0.00 C ATOM 503 OD1 ASP A 36 2.955 -1.828 -10.736 1.00 0.00 O ATOM 504 OD2 ASP A 36 0.870 -1.793 -11.404 1.00 0.00 O ATOM 0 H ASP A 36 3.591 0.355 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 36 1.636 -0.819 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.103 -2.711 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.292 -1.195 -9.008 1.00 0.00 H new ATOM 509 N ILE A 37 3.355 -2.697 -6.711 1.00 0.00 N ATOM 510 CA ILE A 37 4.463 -3.580 -6.255 1.00 0.00 C ATOM 511 C ILE A 37 3.800 -4.900 -5.775 1.00 0.00 C ATOM 512 O ILE A 37 2.571 -4.978 -5.646 1.00 0.00 O ATOM 513 CB ILE A 37 5.376 -2.882 -5.179 1.00 0.00 C ATOM 514 CG1 ILE A 37 4.685 -2.708 -3.788 1.00 0.00 C ATOM 515 CG2 ILE A 37 5.912 -1.514 -5.681 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.995 -3.793 -2.745 1.00 0.00 C ATOM 0 H ILE A 37 2.485 -2.837 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 37 5.160 -3.800 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 37 6.215 -3.563 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.977 -1.742 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.606 -2.676 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.538 -1.063 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.502 -1.664 -6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.074 -0.853 -5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.463 -3.571 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.675 -4.764 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.067 -3.815 -2.551 1.00 0.00 H new ATOM 528 N SER A 38 4.623 -5.940 -5.542 1.00 0.00 N ATOM 529 CA SER A 38 4.135 -7.273 -5.095 1.00 0.00 C ATOM 530 C SER A 38 3.356 -7.128 -3.759 1.00 0.00 C ATOM 531 O SER A 38 3.641 -6.235 -2.953 1.00 0.00 O ATOM 532 CB SER A 38 5.332 -8.243 -4.977 1.00 0.00 C ATOM 533 OG SER A 38 4.959 -9.574 -5.319 1.00 0.00 O ATOM 0 H SER A 38 5.635 -5.889 -5.655 1.00 0.00 H new ATOM 0 HA SER A 38 3.443 -7.689 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.138 -7.910 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.719 -8.223 -3.958 1.00 0.00 H new ATOM 0 HG SER A 38 5.738 -10.163 -5.236 1.00 0.00 H new ATOM 539 N THR A 39 2.393 -8.042 -3.534 1.00 0.00 N ATOM 540 CA THR A 39 1.546 -8.058 -2.312 1.00 0.00 C ATOM 541 C THR A 39 2.307 -8.785 -1.170 1.00 0.00 C ATOM 542 O THR A 39 2.121 -8.468 0.013 1.00 0.00 O ATOM 543 CB THR A 39 0.142 -8.682 -2.592 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.789 -8.297 -1.584 1.00 0.00 O ATOM 545 CG2 THR A 39 0.116 -10.218 -2.701 1.00 0.00 C ATOM 0 H THR A 39 2.175 -8.792 -4.190 1.00 0.00 H new ATOM 0 HA THR A 39 1.354 -7.033 -1.994 1.00 0.00 H new ATOM 0 HB THR A 39 -0.133 -8.289 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.663 -8.696 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.903 -10.552 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.764 -10.536 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.468 -10.655 -1.767 1.00 0.00 H new ATOM 553 N LYS A 40 3.140 -9.778 -1.533 1.00 0.00 N ATOM 554 CA LYS A 40 3.865 -10.629 -0.551 1.00 0.00 C ATOM 555 C LYS A 40 4.936 -9.754 0.157 1.00 0.00 C ATOM 556 O LYS A 40 5.207 -9.925 1.351 1.00 0.00 O ATOM 557 CB LYS A 40 4.498 -11.864 -1.257 1.00 0.00 C ATOM 558 CG LYS A 40 5.986 -12.164 -0.955 1.00 0.00 C ATOM 559 CD LYS A 40 6.718 -13.058 -1.981 1.00 0.00 C ATOM 560 CE LYS A 40 6.443 -14.568 -1.837 1.00 0.00 C ATOM 561 NZ LYS A 40 6.828 -15.329 -3.040 1.00 0.00 N ATOM 0 H LYS A 40 3.333 -10.018 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 40 3.173 -11.018 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.914 -12.744 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.392 -11.729 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.520 -11.216 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.049 -12.641 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.430 -12.745 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.791 -12.888 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.990 -14.953 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.383 -14.724 -1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.623 -16.338 -2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.288 -14.982 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.845 -15.205 -3.219 1.00 0.00 H new ATOM 575 N GLU A 41 5.557 -8.839 -0.610 1.00 0.00 N ATOM 576 CA GLU A 41 6.685 -7.998 -0.131 1.00 0.00 C ATOM 577 C GLU A 41 6.129 -6.761 0.630 1.00 0.00 C ATOM 578 O GLU A 41 6.828 -6.191 1.475 1.00 0.00 O ATOM 579 CB GLU A 41 7.618 -7.607 -1.316 1.00 0.00 C ATOM 580 CG GLU A 41 7.812 -8.663 -2.431 1.00 0.00 C ATOM 581 CD GLU A 41 8.404 -8.099 -3.726 1.00 0.00 C ATOM 582 OE1 GLU A 41 8.152 -6.914 -4.041 1.00 0.00 O ATOM 583 OE2 GLU A 41 9.127 -8.835 -4.433 1.00 0.00 O ATOM 0 H GLU A 41 5.296 -8.657 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 41 7.297 -8.566 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.224 -6.699 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.598 -7.359 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.464 -9.453 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.849 -9.123 -2.654 1.00 0.00 H new ATOM 590 N LEU A 42 4.897 -6.340 0.293 1.00 0.00 N ATOM 591 CA LEU A 42 4.246 -5.112 0.828 1.00 0.00 C ATOM 592 C LEU A 42 4.604 -4.937 2.327 1.00 0.00 C ATOM 593 O LEU A 42 5.013 -3.846 2.753 1.00 0.00 O ATOM 594 CB LEU A 42 2.701 -5.188 0.609 1.00 0.00 C ATOM 595 CG LEU A 42 1.802 -4.461 1.651 1.00 0.00 C ATOM 596 CD1 LEU A 42 0.400 -4.162 1.081 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.673 -5.259 2.965 1.00 0.00 C ATOM 0 H LEU A 42 4.309 -6.846 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 42 4.615 -4.238 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.478 -4.777 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.413 -6.239 0.588 1.00 0.00 H new ATOM 0 HG LEU A 42 2.298 -3.516 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.199 -3.654 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.493 -3.524 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.086 -5.097 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.037 -4.713 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.231 -6.233 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.660 -5.396 3.406 1.00 0.00 H new ATOM 609 N GLY A 43 4.443 -6.010 3.125 1.00 0.00 N ATOM 610 CA GLY A 43 4.843 -6.015 4.555 1.00 0.00 C ATOM 611 C GLY A 43 6.280 -5.450 4.708 1.00 0.00 C ATOM 612 O GLY A 43 6.489 -4.416 5.352 1.00 0.00 O ATOM 0 H GLY A 43 4.038 -6.890 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.144 -5.416 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.799 -7.030 4.950 1.00 0.00 H new ATOM 616 N THR A 44 7.263 -6.167 4.133 1.00 0.00 N ATOM 617 CA THR A 44 8.706 -5.811 4.203 1.00 0.00 C ATOM 618 C THR A 44 8.902 -4.281 4.020 1.00 0.00 C ATOM 619 O THR A 44 9.714 -3.667 4.722 1.00 0.00 O ATOM 620 CB THR A 44 9.548 -6.637 3.176 1.00 0.00 C ATOM 621 OG1 THR A 44 9.741 -7.971 3.639 1.00 0.00 O ATOM 622 CG2 THR A 44 10.932 -6.048 2.840 1.00 0.00 C ATOM 0 H THR A 44 7.084 -7.018 3.600 1.00 0.00 H new ATOM 0 HA THR A 44 9.074 -6.074 5.195 1.00 0.00 H new ATOM 0 HB THR A 44 8.955 -6.606 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.268 -8.472 2.982 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.437 -6.693 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.810 -5.053 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.530 -5.981 3.749 1.00 0.00 H new ATOM 630 N VAL A 45 8.176 -3.693 3.051 1.00 0.00 N ATOM 631 CA VAL A 45 8.333 -2.265 2.663 1.00 0.00 C ATOM 632 C VAL A 45 8.190 -1.411 3.953 1.00 0.00 C ATOM 633 O VAL A 45 9.059 -0.586 4.265 1.00 0.00 O ATOM 634 CB VAL A 45 7.341 -1.853 1.518 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.164 -0.320 1.401 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.724 -2.398 0.119 1.00 0.00 C ATOM 0 H VAL A 45 7.464 -4.186 2.512 1.00 0.00 H new ATOM 0 HA VAL A 45 9.319 -2.090 2.233 1.00 0.00 H new ATOM 0 HB VAL A 45 6.402 -2.315 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.468 -0.095 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.772 0.074 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.128 0.142 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.988 -2.068 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.708 -2.023 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.745 -3.487 0.146 1.00 0.00 H new ATOM 646 N MET A 46 7.071 -1.601 4.676 1.00 0.00 N ATOM 647 CA MET A 46 6.750 -0.813 5.898 1.00 0.00 C ATOM 648 C MET A 46 7.892 -1.016 6.931 1.00 0.00 C ATOM 649 O MET A 46 8.181 -0.117 7.732 1.00 0.00 O ATOM 650 CB MET A 46 5.361 -1.215 6.467 1.00 0.00 C ATOM 651 CG MET A 46 4.141 -0.610 5.746 1.00 0.00 C ATOM 652 SD MET A 46 3.291 -1.879 4.781 1.00 0.00 S ATOM 653 CE MET A 46 2.218 -2.618 6.030 1.00 0.00 C ATOM 0 H MET A 46 6.364 -2.297 4.439 1.00 0.00 H new ATOM 0 HA MET A 46 6.684 0.248 5.655 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.277 -2.301 6.435 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.321 -0.923 7.516 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.456 -0.178 6.476 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.462 0.200 5.091 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.632 -3.418 5.579 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.826 -3.025 6.838 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.547 -1.857 6.429 1.00 0.00 H new ATOM 663 N ARG A 47 8.510 -2.211 6.923 1.00 0.00 N ATOM 664 CA ARG A 47 9.545 -2.604 7.918 1.00 0.00 C ATOM 665 C ARG A 47 10.802 -1.716 7.710 1.00 0.00 C ATOM 666 O ARG A 47 11.453 -1.312 8.683 1.00 0.00 O ATOM 667 CB ARG A 47 9.892 -4.113 7.780 1.00 0.00 C ATOM 668 CG ARG A 47 10.290 -4.814 9.099 1.00 0.00 C ATOM 669 CD ARG A 47 10.154 -6.347 9.029 1.00 0.00 C ATOM 670 NE ARG A 47 11.392 -6.991 8.522 1.00 0.00 N ATOM 671 CZ ARG A 47 11.450 -8.192 7.910 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.602 -9.152 8.243 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.378 -8.473 7.001 1.00 0.00 N ATOM 0 H ARG A 47 8.312 -2.935 6.232 1.00 0.00 H new ATOM 0 HA ARG A 47 9.163 -2.451 8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.032 -4.631 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.711 -4.219 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.320 -4.557 9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.665 -4.436 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.922 -6.736 10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.318 -6.608 8.381 1.00 0.00 H new ATOM 0 HE ARG A 47 12.269 -6.485 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.901 -8.985 8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.649 -10.058 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.073 -7.771 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.395 -9.391 6.556 1.00 0.00 H new ATOM 687 N MET A 48 11.112 -1.399 6.439 1.00 0.00 N ATOM 688 CA MET A 48 12.321 -0.618 6.067 1.00 0.00 C ATOM 689 C MET A 48 12.008 0.901 6.148 1.00 0.00 C ATOM 690 O MET A 48 12.781 1.715 5.613 1.00 0.00 O ATOM 691 CB MET A 48 12.826 -1.029 4.652 1.00 0.00 C ATOM 692 CG MET A 48 13.932 -2.101 4.623 1.00 0.00 C ATOM 693 SD MET A 48 13.425 -3.550 5.576 1.00 0.00 S ATOM 694 CE MET A 48 14.221 -4.881 4.653 1.00 0.00 C ATOM 0 H MET A 48 10.539 -1.672 5.640 1.00 0.00 H new ATOM 0 HA MET A 48 13.123 -0.837 6.771 1.00 0.00 H new ATOM 0 HB2 MET A 48 11.976 -1.394 4.075 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.196 -0.138 4.145 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.141 -2.390 3.593 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.855 -1.692 5.033 1.00 0.00 H new ATOM 0 HE1 MET A 48 13.996 -5.837 5.126 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.849 -4.886 3.628 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.300 -4.725 4.646 1.00 0.00 H new ATOM 704 N LEU A 49 10.904 1.289 6.808 1.00 0.00 N ATOM 705 CA LEU A 49 10.548 2.711 7.062 1.00 0.00 C ATOM 706 C LEU A 49 10.750 2.994 8.575 1.00 0.00 C ATOM 707 O LEU A 49 11.202 4.073 8.972 1.00 0.00 O ATOM 708 CB LEU A 49 9.088 2.992 6.598 1.00 0.00 C ATOM 709 CG LEU A 49 8.846 3.162 5.070 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.398 3.587 4.752 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.836 4.166 4.446 1.00 0.00 C ATOM 0 H LEU A 49 10.225 0.628 7.186 1.00 0.00 H new ATOM 0 HA LEU A 49 11.190 3.381 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.459 2.175 6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.744 3.898 7.097 1.00 0.00 H new ATOM 0 HG LEU A 49 9.016 2.181 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.278 3.693 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.707 2.829 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.184 4.540 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.636 4.258 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.717 5.139 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.856 3.812 4.595 1.00 0.00 H new ATOM 723 N GLY A 50 10.432 1.986 9.414 1.00 0.00 N ATOM 724 CA GLY A 50 10.611 2.080 10.885 1.00 0.00 C ATOM 725 C GLY A 50 9.519 1.257 11.618 1.00 0.00 C ATOM 726 O GLY A 50 8.686 1.816 12.343 1.00 0.00 O ATOM 0 H GLY A 50 10.049 1.094 9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.599 1.712 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.560 3.123 11.198 1.00 0.00 H new ATOM 730 N GLN A 51 9.523 -0.069 11.389 1.00 0.00 N ATOM 731 CA GLN A 51 8.598 -1.020 12.060 1.00 0.00 C ATOM 732 C GLN A 51 9.395 -2.302 12.425 1.00 0.00 C ATOM 733 O GLN A 51 10.468 -2.559 11.867 1.00 0.00 O ATOM 734 CB GLN A 51 7.380 -1.336 11.145 1.00 0.00 C ATOM 735 CG GLN A 51 6.507 -0.127 10.729 1.00 0.00 C ATOM 736 CD GLN A 51 5.386 0.208 11.729 1.00 0.00 C ATOM 737 OE1 GLN A 51 4.946 -0.642 12.503 1.00 0.00 O ATOM 738 NE2 GLN A 51 4.898 1.439 11.732 1.00 0.00 N ATOM 0 H GLN A 51 10.165 -0.518 10.735 1.00 0.00 H new ATOM 0 HA GLN A 51 8.198 -0.579 12.973 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.747 -1.821 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.744 -2.058 11.658 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.147 0.747 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.062 -0.331 9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.269 2.136 11.087 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.151 1.690 12.380 1.00 0.00 H new ATOM 747 N ASN A 52 8.853 -3.095 13.369 1.00 0.00 N ATOM 748 CA ASN A 52 9.541 -4.298 13.909 1.00 0.00 C ATOM 749 C ASN A 52 8.535 -5.495 14.041 1.00 0.00 C ATOM 750 O ASN A 52 8.409 -6.018 15.156 1.00 0.00 O ATOM 751 CB ASN A 52 10.196 -3.929 15.271 1.00 0.00 C ATOM 752 CG ASN A 52 11.425 -4.784 15.648 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.569 -5.924 15.206 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.323 -4.262 16.470 1.00 0.00 N ATOM 0 H ASN A 52 7.935 -2.928 13.780 1.00 0.00 H new ATOM 0 HA ASN A 52 10.324 -4.623 13.224 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.494 -2.881 15.243 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.447 -4.027 16.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.142 -4.805 16.742 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.195 -3.317 16.831 1.00 0.00 H new ATOM 761 N PRO A 53 7.798 -5.950 12.983 1.00 0.00 N ATOM 762 CA PRO A 53 6.814 -7.060 13.093 1.00 0.00 C ATOM 763 C PRO A 53 7.476 -8.450 12.891 1.00 0.00 C ATOM 764 O PRO A 53 8.705 -8.561 12.811 1.00 0.00 O ATOM 765 CB PRO A 53 5.791 -6.680 12.003 1.00 0.00 C ATOM 766 CG PRO A 53 6.578 -5.922 10.931 1.00 0.00 C ATOM 767 CD PRO A 53 7.796 -5.328 11.641 1.00 0.00 C ATOM 0 HA PRO A 53 6.356 -7.165 14.076 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.318 -7.569 11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.995 -6.059 12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.883 -6.590 10.126 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.969 -5.138 10.481 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.716 -5.552 11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.723 -4.243 11.709 1.00 0.00 H new ATOM 775 N THR A 54 6.641 -9.500 12.778 1.00 0.00 N ATOM 776 CA THR A 54 7.097 -10.882 12.472 1.00 0.00 C ATOM 777 C THR A 54 6.661 -11.257 11.029 1.00 0.00 C ATOM 778 O THR A 54 6.037 -10.452 10.326 1.00 0.00 O ATOM 779 CB THR A 54 6.593 -11.905 13.538 1.00 0.00 C ATOM 780 OG1 THR A 54 5.430 -12.586 13.071 1.00 0.00 O ATOM 781 CG2 THR A 54 6.268 -11.307 14.920 1.00 0.00 C ATOM 0 H THR A 54 5.631 -9.421 12.895 1.00 0.00 H new ATOM 0 HA THR A 54 8.185 -10.921 12.520 1.00 0.00 H new ATOM 0 HB THR A 54 7.436 -12.583 13.674 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.129 -13.224 13.751 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.927 -12.098 15.588 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.163 -10.843 15.335 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.484 -10.556 14.817 1.00 0.00 H new ATOM 789 N LYS A 55 7.025 -12.478 10.594 1.00 0.00 N ATOM 790 CA LYS A 55 6.768 -12.961 9.211 1.00 0.00 C ATOM 791 C LYS A 55 5.312 -13.496 9.145 1.00 0.00 C ATOM 792 O LYS A 55 4.630 -13.347 8.125 1.00 0.00 O ATOM 793 CB LYS A 55 7.804 -14.049 8.805 1.00 0.00 C ATOM 794 CG LYS A 55 9.239 -13.883 9.362 1.00 0.00 C ATOM 795 CD LYS A 55 10.378 -14.426 8.470 1.00 0.00 C ATOM 796 CE LYS A 55 10.821 -15.866 8.795 1.00 0.00 C ATOM 797 NZ LYS A 55 12.244 -16.102 8.489 1.00 0.00 N ATOM 0 H LYS A 55 7.504 -13.160 11.183 1.00 0.00 H new ATOM 0 HA LYS A 55 6.881 -12.144 8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.424 -15.018 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.862 -14.075 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.418 -12.823 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.292 -14.382 10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.056 -14.386 7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.240 -13.766 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.641 -16.068 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.210 -16.568 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.492 -17.084 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.413 -15.936 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.832 -15.452 9.049 1.00 0.00 H new ATOM 811 N GLU A 56 4.859 -14.128 10.243 1.00 0.00 N ATOM 812 CA GLU A 56 3.519 -14.767 10.320 1.00 0.00 C ATOM 813 C GLU A 56 2.436 -13.653 10.313 1.00 0.00 C ATOM 814 O GLU A 56 1.366 -13.816 9.715 1.00 0.00 O ATOM 815 CB GLU A 56 3.424 -15.703 11.559 1.00 0.00 C ATOM 816 CG GLU A 56 4.105 -17.088 11.441 1.00 0.00 C ATOM 817 CD GLU A 56 3.461 -18.175 12.307 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.220 -18.166 12.467 1.00 0.00 O ATOM 819 OE2 GLU A 56 4.193 -19.041 12.835 1.00 0.00 O ATOM 0 H GLU A 56 5.403 -14.214 11.101 1.00 0.00 H new ATOM 0 HA GLU A 56 3.351 -15.406 9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.859 -15.182 12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.370 -15.861 11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.080 -17.406 10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.154 -16.990 11.719 1.00 0.00 H new ATOM 826 N GLU A 57 2.743 -12.518 10.971 1.00 0.00 N ATOM 827 CA GLU A 57 1.816 -11.359 11.062 1.00 0.00 C ATOM 828 C GLU A 57 1.626 -10.758 9.643 1.00 0.00 C ATOM 829 O GLU A 57 0.562 -10.210 9.327 1.00 0.00 O ATOM 830 CB GLU A 57 2.329 -10.319 12.100 1.00 0.00 C ATOM 831 CG GLU A 57 2.609 -10.841 13.530 1.00 0.00 C ATOM 832 CD GLU A 57 1.480 -10.566 14.527 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.429 -11.242 14.453 1.00 0.00 O ATOM 834 OE2 GLU A 57 1.638 -9.676 15.392 1.00 0.00 O ATOM 0 H GLU A 57 3.631 -12.373 11.452 1.00 0.00 H new ATOM 0 HA GLU A 57 0.840 -11.683 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.248 -9.878 11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.594 -9.517 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.786 -11.916 13.485 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.526 -10.382 13.900 1.00 0.00 H new ATOM 841 N LEU A 58 2.668 -10.868 8.798 1.00 0.00 N ATOM 842 CA LEU A 58 2.642 -10.345 7.406 1.00 0.00 C ATOM 843 C LEU A 58 1.434 -10.986 6.670 1.00 0.00 C ATOM 844 O LEU A 58 0.672 -10.290 5.987 1.00 0.00 O ATOM 845 CB LEU A 58 3.993 -10.639 6.688 1.00 0.00 C ATOM 846 CG LEU A 58 4.418 -9.670 5.547 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.497 -10.298 4.640 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.217 -9.214 4.693 1.00 0.00 C ATOM 0 H LEU A 58 3.548 -11.317 9.052 1.00 0.00 H new ATOM 0 HA LEU A 58 2.521 -9.262 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.782 -10.641 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.944 -11.646 6.275 1.00 0.00 H new ATOM 0 HG LEU A 58 4.840 -8.792 6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.768 -9.592 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.379 -10.536 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.107 -11.210 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.563 -8.539 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.742 -10.084 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.496 -8.696 5.326 1.00 0.00 H new ATOM 860 N ASP A 59 1.277 -12.314 6.825 1.00 0.00 N ATOM 861 CA ASP A 59 0.226 -13.097 6.123 1.00 0.00 C ATOM 862 C ASP A 59 -1.168 -12.703 6.684 1.00 0.00 C ATOM 863 O ASP A 59 -2.188 -12.901 6.007 1.00 0.00 O ATOM 864 CB ASP A 59 0.490 -14.630 6.209 1.00 0.00 C ATOM 865 CG ASP A 59 1.918 -15.093 5.877 1.00 0.00 C ATOM 866 OD1 ASP A 59 2.795 -15.037 6.767 1.00 0.00 O ATOM 867 OD2 ASP A 59 2.168 -15.506 4.722 1.00 0.00 O ATOM 0 H ASP A 59 1.868 -12.878 7.436 1.00 0.00 H new ATOM 0 HA ASP A 59 0.251 -12.853 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.248 -14.963 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.200 -15.135 5.533 1.00 0.00 H new ATOM 872 N ALA A 60 -1.207 -12.153 7.911 1.00 0.00 N ATOM 873 CA ALA A 60 -2.455 -11.626 8.524 1.00 0.00 C ATOM 874 C ALA A 60 -3.154 -10.647 7.539 1.00 0.00 C ATOM 875 O ALA A 60 -4.380 -10.673 7.382 1.00 0.00 O ATOM 876 CB ALA A 60 -2.116 -10.948 9.866 1.00 0.00 C ATOM 0 H ALA A 60 -0.385 -12.058 8.507 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.150 -12.441 8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.029 -10.560 10.319 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.660 -11.676 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.420 -10.127 9.693 1.00 0.00 H new ATOM 882 N ILE A 61 -2.353 -9.771 6.909 1.00 0.00 N ATOM 883 CA ILE A 61 -2.842 -8.749 5.941 1.00 0.00 C ATOM 884 C ILE A 61 -3.650 -9.527 4.865 1.00 0.00 C ATOM 885 O ILE A 61 -4.721 -9.083 4.439 1.00 0.00 O ATOM 886 CB ILE A 61 -1.684 -7.858 5.348 1.00 0.00 C ATOM 887 CG1 ILE A 61 -0.921 -7.023 6.426 1.00 0.00 C ATOM 888 CG2 ILE A 61 -2.200 -6.925 4.220 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.590 -6.850 6.195 1.00 0.00 C ATOM 0 H ILE A 61 -1.343 -9.744 7.051 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.481 -8.017 6.434 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.968 -8.564 4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.376 -6.034 6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.069 -7.497 7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.374 -6.327 3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.618 -7.527 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.971 -6.265 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.016 -6.255 7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.069 -7.829 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.757 -6.344 5.244 1.00 0.00 H new ATOM 901 N ILE A 62 -3.100 -10.673 4.418 1.00 0.00 N ATOM 902 CA ILE A 62 -3.673 -11.482 3.307 1.00 0.00 C ATOM 903 C ILE A 62 -5.140 -11.805 3.704 1.00 0.00 C ATOM 904 O ILE A 62 -6.029 -11.848 2.845 1.00 0.00 O ATOM 905 CB ILE A 62 -2.797 -12.749 2.979 1.00 0.00 C ATOM 906 CG1 ILE A 62 -3.270 -14.047 3.711 1.00 0.00 C ATOM 907 CG2 ILE A 62 -1.293 -12.494 3.264 1.00 0.00 C ATOM 908 CD1 ILE A 62 -4.075 -15.042 2.859 1.00 0.00 C ATOM 0 H ILE A 62 -2.247 -11.070 4.812 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.669 -10.927 2.369 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.934 -12.921 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.392 -14.561 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.878 -13.757 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.720 -13.390 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.942 -11.665 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.159 -12.247 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.350 -15.903 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.978 -14.556 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.469 -15.373 2.016 1.00 0.00 H new ATOM 920 N GLU A 63 -5.368 -12.059 5.007 1.00 0.00 N ATOM 921 CA GLU A 63 -6.718 -12.381 5.544 1.00 0.00 C ATOM 922 C GLU A 63 -7.679 -11.203 5.224 1.00 0.00 C ATOM 923 O GLU A 63 -8.799 -11.415 4.743 1.00 0.00 O ATOM 924 CB GLU A 63 -6.646 -12.713 7.062 1.00 0.00 C ATOM 925 CG GLU A 63 -7.609 -13.806 7.584 1.00 0.00 C ATOM 926 CD GLU A 63 -7.122 -15.237 7.333 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.897 -15.441 7.180 1.00 0.00 O ATOM 928 OE2 GLU A 63 -7.962 -16.164 7.292 1.00 0.00 O ATOM 0 H GLU A 63 -4.635 -12.049 5.716 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.112 -13.276 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.626 -13.020 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.838 -11.796 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.755 -13.666 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.582 -13.676 7.110 1.00 0.00 H new ATOM 935 N GLU A 64 -7.229 -9.967 5.512 1.00 0.00 N ATOM 936 CA GLU A 64 -8.067 -8.745 5.374 1.00 0.00 C ATOM 937 C GLU A 64 -7.466 -7.839 4.265 1.00 0.00 C ATOM 938 O GLU A 64 -7.455 -6.608 4.396 1.00 0.00 O ATOM 939 CB GLU A 64 -8.205 -8.017 6.743 1.00 0.00 C ATOM 940 CG GLU A 64 -9.642 -7.775 7.263 1.00 0.00 C ATOM 941 CD GLU A 64 -9.728 -7.542 8.774 1.00 0.00 C ATOM 942 OE1 GLU A 64 -8.921 -8.136 9.524 1.00 0.00 O ATOM 943 OE2 GLU A 64 -10.599 -6.762 9.219 1.00 0.00 O ATOM 0 H GLU A 64 -6.283 -9.780 5.845 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.079 -9.015 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.666 -8.597 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.704 -7.052 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.063 -6.911 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.261 -8.634 7.003 1.00 0.00 H new ATOM 950 N VAL A 65 -6.999 -8.462 3.167 1.00 0.00 N ATOM 951 CA VAL A 65 -6.487 -7.738 1.973 1.00 0.00 C ATOM 952 C VAL A 65 -6.622 -8.695 0.756 1.00 0.00 C ATOM 953 O VAL A 65 -7.277 -8.364 -0.242 1.00 0.00 O ATOM 954 CB VAL A 65 -5.030 -7.197 2.192 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.450 -6.510 0.932 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.883 -6.217 3.382 1.00 0.00 C ATOM 0 H VAL A 65 -6.963 -9.477 3.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.076 -6.840 1.784 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.464 -8.100 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.441 -6.156 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.420 -7.225 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.081 -5.665 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.845 -5.893 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.523 -5.349 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.178 -6.718 4.304 1.00 0.00 H new ATOM 966 N ASP A 66 -5.970 -9.869 0.840 1.00 0.00 N ATOM 967 CA ASP A 66 -5.995 -10.889 -0.243 1.00 0.00 C ATOM 968 C ASP A 66 -7.152 -11.886 0.034 1.00 0.00 C ATOM 969 O ASP A 66 -6.953 -13.106 0.020 1.00 0.00 O ATOM 970 CB ASP A 66 -4.617 -11.598 -0.394 1.00 0.00 C ATOM 971 CG ASP A 66 -4.274 -12.118 -1.801 1.00 0.00 C ATOM 972 OD1 ASP A 66 -4.901 -13.101 -2.252 1.00 0.00 O ATOM 973 OD2 ASP A 66 -3.371 -11.548 -2.454 1.00 0.00 O ATOM 0 H ASP A 66 -5.414 -10.143 1.650 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.180 -10.402 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.837 -10.901 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.586 -12.438 0.299 1.00 0.00 H new ATOM 978 N GLU A 67 -8.358 -11.338 0.285 1.00 0.00 N ATOM 979 CA GLU A 67 -9.595 -12.144 0.462 1.00 0.00 C ATOM 980 C GLU A 67 -9.994 -12.747 -0.913 1.00 0.00 C ATOM 981 O GLU A 67 -10.179 -13.963 -1.041 1.00 0.00 O ATOM 982 CB GLU A 67 -10.729 -11.292 1.104 1.00 0.00 C ATOM 983 CG GLU A 67 -10.582 -10.955 2.608 1.00 0.00 C ATOM 984 CD GLU A 67 -11.670 -10.020 3.146 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.063 -9.073 2.429 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.139 -10.231 4.286 1.00 0.00 O ATOM 0 H GLU A 67 -8.508 -10.333 0.371 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.415 -12.966 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.804 -10.355 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.672 -11.821 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.598 -11.882 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.608 -10.495 2.773 1.00 0.00 H new ATOM 993 N ASP A 68 -10.091 -11.880 -1.938 1.00 0.00 N ATOM 994 CA ASP A 68 -10.363 -12.302 -3.338 1.00 0.00 C ATOM 995 C ASP A 68 -9.012 -12.441 -4.088 1.00 0.00 C ATOM 996 O ASP A 68 -7.962 -12.673 -3.475 1.00 0.00 O ATOM 997 CB ASP A 68 -11.347 -11.327 -4.049 1.00 0.00 C ATOM 998 CG ASP A 68 -10.726 -10.046 -4.632 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.663 -9.611 -4.137 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -11.296 -9.478 -5.589 1.00 0.00 O ATOM 0 H ASP A 68 -9.985 -10.872 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.861 -13.271 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.842 -11.867 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.121 -11.040 -3.337 1.00 0.00 H new ATOM 1005 N GLY A 69 -9.050 -12.299 -5.429 1.00 0.00 N ATOM 1006 CA GLY A 69 -7.836 -12.385 -6.278 1.00 0.00 C ATOM 1007 C GLY A 69 -7.141 -11.003 -6.378 1.00 0.00 C ATOM 1008 O GLY A 69 -7.228 -10.323 -7.409 1.00 0.00 O ATOM 0 H GLY A 69 -9.908 -12.124 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.144 -13.116 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.106 -12.735 -7.274 1.00 0.00 H new ATOM 1012 N SER A 70 -6.451 -10.604 -5.292 1.00 0.00 N ATOM 1013 CA SER A 70 -5.652 -9.351 -5.245 1.00 0.00 C ATOM 1014 C SER A 70 -4.151 -9.678 -5.466 1.00 0.00 C ATOM 1015 O SER A 70 -3.375 -9.800 -4.511 1.00 0.00 O ATOM 1016 CB SER A 70 -5.906 -8.629 -3.902 1.00 0.00 C ATOM 1017 OG SER A 70 -7.042 -7.774 -3.978 1.00 0.00 O ATOM 0 H SER A 70 -6.428 -11.135 -4.422 1.00 0.00 H new ATOM 0 HA SER A 70 -5.957 -8.676 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.056 -9.366 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.027 -8.045 -3.629 1.00 0.00 H new ATOM 0 HG SER A 70 -7.856 -8.316 -4.045 1.00 0.00 H new ATOM 1023 N GLY A 71 -3.758 -9.852 -6.745 1.00 0.00 N ATOM 1024 CA GLY A 71 -2.365 -10.210 -7.114 1.00 0.00 C ATOM 1025 C GLY A 71 -1.433 -8.976 -7.010 1.00 0.00 C ATOM 1026 O GLY A 71 -0.239 -9.110 -6.711 1.00 0.00 O ATOM 0 H GLY A 71 -4.384 -9.751 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.002 -11.001 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.343 -10.603 -8.130 1.00 0.00 H new ATOM 1030 N THR A 72 -1.997 -7.780 -7.265 1.00 0.00 N ATOM 1031 CA THR A 72 -1.232 -6.505 -7.306 1.00 0.00 C ATOM 1032 C THR A 72 -1.820 -5.544 -6.238 1.00 0.00 C ATOM 1033 O THR A 72 -3.006 -5.630 -5.892 1.00 0.00 O ATOM 1034 CB THR A 72 -1.139 -5.902 -8.744 1.00 0.00 C ATOM 1035 OG1 THR A 72 -2.419 -5.965 -9.365 1.00 0.00 O ATOM 1036 CG2 THR A 72 -0.107 -6.520 -9.709 1.00 0.00 C ATOM 0 H THR A 72 -2.993 -7.663 -7.449 1.00 0.00 H new ATOM 0 HA THR A 72 -0.189 -6.690 -7.049 1.00 0.00 H new ATOM 0 HB THR A 72 -0.785 -4.886 -8.571 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.364 -5.586 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.152 -6.005 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.893 -6.416 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.331 -7.577 -9.854 1.00 0.00 H new ATOM 1044 N ILE A 73 -0.988 -4.608 -5.742 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.400 -3.563 -4.766 1.00 0.00 C ATOM 1046 C ILE A 73 -0.941 -2.179 -5.300 1.00 0.00 C ATOM 1047 O ILE A 73 0.071 -2.079 -6.007 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.942 -3.888 -3.294 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.566 -2.900 -2.264 1.00 0.00 C ATOM 1050 CG2 ILE A 73 0.594 -4.018 -3.107 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.611 -1.841 -1.690 1.00 0.00 C ATOM 0 H ILE A 73 -0.004 -4.550 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.487 -3.541 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.334 -4.885 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.402 -2.388 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.976 -3.479 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.816 -4.242 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.971 -4.822 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.075 -3.081 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.150 -1.209 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.214 -2.335 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.218 -1.227 -2.501 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.708 -1.117 -4.984 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.474 0.256 -5.504 1.00 0.00 C ATOM 1065 C ASP A 74 -1.092 1.189 -4.321 1.00 0.00 C ATOM 1066 O ASP A 74 -1.190 0.812 -3.146 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.705 0.781 -6.303 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.079 0.269 -5.839 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.535 -0.783 -6.340 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.707 0.921 -4.976 1.00 0.00 O ATOM 0 H ASP A 74 -2.512 -1.182 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.645 0.240 -6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.709 1.870 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.574 0.512 -7.351 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.671 2.426 -4.651 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.185 3.413 -3.647 1.00 0.00 C ATOM 1077 C PHE A 75 -1.385 3.904 -2.793 1.00 0.00 C ATOM 1078 O PHE A 75 -1.214 4.281 -1.626 1.00 0.00 O ATOM 1079 CB PHE A 75 0.556 4.579 -4.366 1.00 0.00 C ATOM 1080 CG PHE A 75 1.139 5.658 -3.432 1.00 0.00 C ATOM 1081 CD1 PHE A 75 2.364 5.447 -2.788 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.466 6.871 -3.242 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.927 6.451 -2.002 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.029 7.870 -2.451 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.240 7.645 -1.802 1.00 0.00 C ATOM 0 H PHE A 75 -0.655 2.774 -5.610 1.00 0.00 H new ATOM 0 HA PHE A 75 0.534 2.949 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.367 4.161 -4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.137 5.056 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.875 4.502 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.494 7.033 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.896 6.303 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.526 8.819 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.647 8.398 -1.143 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.588 3.923 -3.397 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.829 4.389 -2.721 1.00 0.00 C ATOM 1097 C GLU A 76 -4.125 3.447 -1.521 1.00 0.00 C ATOM 1098 O GLU A 76 -4.287 3.907 -0.384 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.009 4.479 -3.731 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.043 5.719 -4.656 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.166 7.051 -3.909 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.306 7.489 -3.637 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -4.124 7.665 -3.591 1.00 0.00 O ATOM 0 H GLU A 76 -2.734 3.620 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.694 5.399 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.988 3.588 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.941 4.450 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.135 5.735 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.882 5.622 -5.346 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.221 2.134 -1.809 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.487 1.095 -0.777 1.00 0.00 C ATOM 1112 C GLU A 77 -3.362 1.163 0.293 1.00 0.00 C ATOM 1113 O GLU A 77 -3.609 0.928 1.482 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.629 -0.314 -1.422 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.022 -0.687 -1.983 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.991 -1.778 -3.057 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.958 -2.472 -3.185 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.000 -1.949 -3.776 1.00 0.00 O ATOM 0 H GLU A 77 -4.119 1.760 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.440 1.287 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.904 -0.391 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.353 -1.059 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.656 -1.019 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.485 0.207 -2.401 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.133 1.495 -0.148 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.936 1.516 0.735 1.00 0.00 C ATOM 1127 C PHE A 78 -1.175 2.546 1.873 1.00 0.00 C ATOM 1128 O PHE A 78 -0.876 2.275 3.042 1.00 0.00 O ATOM 1129 CB PHE A 78 0.343 1.827 -0.098 1.00 0.00 C ATOM 1130 CG PHE A 78 1.658 1.847 0.708 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.865 2.810 1.702 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.669 0.919 0.431 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.077 2.861 2.388 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.886 0.983 1.107 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.082 1.943 2.097 1.00 0.00 C ATOM 0 H PHE A 78 -1.936 1.755 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.778 0.539 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.432 1.084 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.216 2.795 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.083 3.516 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.505 0.150 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.237 3.613 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.677 0.289 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.015 1.975 2.640 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.722 3.721 1.511 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.974 4.829 2.471 1.00 0.00 C ATOM 1147 C LEU A 79 -3.057 4.361 3.482 1.00 0.00 C ATOM 1148 O LEU A 79 -3.015 4.726 4.663 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.396 6.122 1.711 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.335 6.781 0.782 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.925 7.945 -0.041 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.109 7.272 1.578 1.00 0.00 C ATOM 0 H LEU A 79 -2.002 3.935 0.554 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.065 5.075 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.274 5.888 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.704 6.862 2.449 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.013 6.004 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.148 8.374 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.738 7.574 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.307 8.711 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.610 7.726 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.426 8.010 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.357 6.428 2.086 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.016 3.547 3.002 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.171 3.080 3.815 1.00 0.00 C ATOM 1166 C VAL A 80 -4.603 2.262 5.007 1.00 0.00 C ATOM 1167 O VAL A 80 -5.142 2.311 6.120 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.219 2.294 2.951 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.929 1.141 3.703 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.307 3.213 2.344 1.00 0.00 C ATOM 0 H VAL A 80 -4.019 3.192 2.046 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.734 3.927 4.206 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.610 1.862 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.636 0.651 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.188 0.417 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.463 1.543 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.003 2.614 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.847 3.716 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.837 3.957 1.701 1.00 0.00 H new ATOM 1180 N MET A 81 -3.517 1.508 4.754 1.00 0.00 N ATOM 1181 CA MET A 81 -2.916 0.577 5.747 1.00 0.00 C ATOM 1182 C MET A 81 -2.300 1.414 6.902 1.00 0.00 C ATOM 1183 O MET A 81 -2.525 1.119 8.083 1.00 0.00 O ATOM 1184 CB MET A 81 -1.869 -0.355 5.075 1.00 0.00 C ATOM 1185 CG MET A 81 -2.365 -1.150 3.852 1.00 0.00 C ATOM 1186 SD MET A 81 -3.835 -2.109 4.284 1.00 0.00 S ATOM 1187 CE MET A 81 -3.103 -3.519 5.140 1.00 0.00 C ATOM 0 H MET A 81 -3.027 1.522 3.860 1.00 0.00 H new ATOM 0 HA MET A 81 -3.686 -0.076 6.159 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.015 0.250 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.508 -1.062 5.822 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.595 -0.467 3.034 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.578 -1.816 3.499 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.887 -4.223 5.418 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.388 -4.013 4.482 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.591 -3.174 6.038 1.00 0.00 H new ATOM 1197 N MET A 82 -1.499 2.434 6.543 1.00 0.00 N ATOM 1198 CA MET A 82 -0.743 3.257 7.524 1.00 0.00 C ATOM 1199 C MET A 82 -1.755 3.881 8.524 1.00 0.00 C ATOM 1200 O MET A 82 -1.610 3.737 9.744 1.00 0.00 O ATOM 1201 CB MET A 82 0.112 4.338 6.805 1.00 0.00 C ATOM 1202 CG MET A 82 1.173 3.814 5.819 1.00 0.00 C ATOM 1203 SD MET A 82 2.630 3.233 6.717 1.00 0.00 S ATOM 1204 CE MET A 82 3.113 4.722 7.615 1.00 0.00 C ATOM 0 H MET A 82 -1.353 2.715 5.573 1.00 0.00 H new ATOM 0 HA MET A 82 -0.041 2.631 8.075 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.560 5.004 6.264 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.614 4.939 7.563 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.756 3.002 5.224 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.457 4.605 5.125 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.195 4.732 7.748 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.809 5.603 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.627 4.732 8.591 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.759 4.599 7.987 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.810 5.271 8.798 1.00 0.00 C ATOM 1216 C VAL A 83 -4.354 4.238 9.824 1.00 0.00 C ATOM 1217 O VAL A 83 -4.778 4.613 10.925 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.925 5.910 7.896 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.110 6.474 8.717 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.417 7.031 6.955 1.00 0.00 C ATOM 0 H VAL A 83 -2.871 4.734 6.982 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.389 6.115 9.345 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.260 5.073 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.850 6.903 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.568 5.670 9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.748 7.246 9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.250 7.418 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.986 7.837 7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.657 6.628 6.285 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.363 2.948 9.440 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.864 1.839 10.297 1.00 0.00 C ATOM 1232 C ARG A 84 -3.959 1.711 11.554 1.00 0.00 C ATOM 1233 O ARG A 84 -4.386 2.030 12.672 1.00 0.00 O ATOM 1234 CB ARG A 84 -4.901 0.505 9.497 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.031 -0.469 9.900 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.438 0.097 9.626 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.861 -0.125 8.220 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.835 -0.970 7.825 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.886 -1.188 8.600 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.804 -1.574 6.641 1.00 0.00 N ATOM 0 H ARG A 84 -4.025 2.638 8.529 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.882 2.060 10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.004 0.738 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.944 -0.002 9.621 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.909 -1.405 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.940 -0.704 10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.155 -0.372 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.448 1.165 9.844 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.376 0.404 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.962 -0.716 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.620 -1.828 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.028 -1.404 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.557 -2.208 6.372 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.724 1.215 11.360 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.787 0.900 12.472 1.00 0.00 C ATOM 1256 C GLN A 85 -1.448 2.204 13.248 1.00 0.00 C ATOM 1257 O GLN A 85 -1.770 2.347 14.434 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.503 0.215 11.919 1.00 0.00 C ATOM 1259 CG GLN A 85 0.055 -0.961 12.756 1.00 0.00 C ATOM 1260 CD GLN A 85 1.374 -1.543 12.217 1.00 0.00 C ATOM 1261 OE1 GLN A 85 2.125 -0.873 11.508 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.686 -2.789 12.541 1.00 0.00 N ATOM 0 H GLN A 85 -2.341 1.019 10.435 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.260 0.202 13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.714 -0.149 10.914 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.277 0.971 11.827 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.211 -0.623 13.780 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.692 -1.754 12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.057 -3.336 13.129 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.555 -3.202 12.202 1.00 0.00 H new ATOM 1271 N MET A 86 -0.758 3.137 12.565 1.00 0.00 N ATOM 1272 CA MET A 86 -0.230 4.395 13.161 1.00 0.00 C ATOM 1273 C MET A 86 -1.314 5.028 14.074 1.00 0.00 C ATOM 1274 O MET A 86 -0.988 5.669 15.082 1.00 0.00 O ATOM 1275 CB MET A 86 0.242 5.375 12.049 1.00 0.00 C ATOM 1276 CG MET A 86 1.692 5.881 12.176 1.00 0.00 C ATOM 1277 SD MET A 86 1.812 7.589 11.600 1.00 0.00 S ATOM 1278 CE MET A 86 2.149 8.463 13.143 1.00 0.00 C ATOM 0 H MET A 86 -0.545 3.044 11.572 1.00 0.00 H new ATOM 0 HA MET A 86 0.643 4.171 13.774 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.132 4.880 11.084 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.425 6.237 12.043 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.017 5.816 13.214 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.359 5.246 11.593 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.248 9.530 12.943 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.328 8.299 13.841 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.075 8.088 13.579 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.598 4.815 13.724 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.750 5.356 14.496 1.00 0.00 C ATOM 1290 C LYS A 87 -3.844 4.579 15.837 1.00 0.00 C ATOM 1291 O LYS A 87 -3.820 5.180 16.918 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.070 5.257 13.676 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.379 5.601 14.428 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.475 6.301 13.595 1.00 0.00 C ATOM 1295 CE LYS A 87 -8.334 7.314 14.378 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.050 8.251 13.493 1.00 0.00 N ATOM 0 H LYS A 87 -2.871 4.269 12.907 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.597 6.415 14.703 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.987 5.920 12.815 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.156 4.242 13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.794 4.679 14.835 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.131 6.240 15.275 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.003 6.816 12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.131 5.541 13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.056 6.775 14.992 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.695 7.878 15.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.612 8.910 14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.363 8.786 12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.681 7.718 12.861 1.00 0.00 H new ATOM 1310 N GLU A 88 -3.953 3.240 15.750 1.00 0.00 N ATOM 1311 CA GLU A 88 -4.055 2.355 16.941 1.00 0.00 C ATOM 1312 C GLU A 88 -2.710 2.404 17.715 1.00 0.00 C ATOM 1313 O GLU A 88 -1.729 2.992 17.244 1.00 0.00 O ATOM 1314 CB GLU A 88 -4.466 0.913 16.523 1.00 0.00 C ATOM 1315 CG GLU A 88 -5.979 0.646 16.337 1.00 0.00 C ATOM 1316 CD GLU A 88 -6.696 0.204 17.617 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -6.094 -0.540 18.422 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -7.864 0.601 17.823 1.00 0.00 O ATOM 0 H GLU A 88 -3.973 2.738 14.862 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.841 2.706 17.610 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.961 0.673 15.587 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.089 0.220 17.275 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.454 1.552 15.961 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.111 -0.122 15.575 1.00 0.00 H new ATOM 1325 N ASP A 89 -2.682 1.768 18.901 1.00 0.00 N ATOM 1326 CA ASP A 89 -1.460 1.663 19.741 1.00 0.00 C ATOM 1327 C ASP A 89 -1.499 0.316 20.512 1.00 0.00 C ATOM 1328 O ASP A 89 -0.774 -0.627 20.175 1.00 0.00 O ATOM 1329 CB ASP A 89 -1.306 2.890 20.687 1.00 0.00 C ATOM 1330 CG ASP A 89 -0.183 2.800 21.734 1.00 0.00 C ATOM 1331 OD1 ASP A 89 0.810 2.077 21.498 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -0.295 3.449 22.798 1.00 0.00 O ATOM 0 H ASP A 89 -3.499 1.312 19.308 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.576 1.674 19.104 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.135 3.776 20.075 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.251 3.041 21.209 1.00 0.00 H new ATOM 1337 N ALA A 90 -2.335 0.258 21.566 1.00 0.00 N ATOM 1338 CA ALA A 90 -2.445 -0.932 22.451 1.00 0.00 C ATOM 1339 C ALA A 90 -3.411 -1.943 21.804 1.00 0.00 C ATOM 1340 O ALA A 90 -4.226 -2.565 22.554 1.00 0.00 O ATOM 1341 CB ALA A 90 -2.897 -0.522 23.868 1.00 0.00 C ATOM 1342 OXT ALA A 90 -3.381 -2.135 20.549 1.00 0.00 O ATOM 0 H ALA A 90 -2.952 1.025 21.832 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.469 -1.405 22.562 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.970 -1.409 24.497 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.170 0.168 24.296 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.871 -0.035 23.813 1.00 0.00 H new TER 1348 ALA A 90