USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 27 SER OG : rot -140:sc= 0.197! USER MOD Set 1.2: A 33 SER OG : rot -138:sc= 0.532 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -1.28 F(o=-2.6,f=-1.3) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.149 F(o=-0.86,f=-0.15) USER MOD Single : A 13 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.14) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.55 F(o=-2.7,f=-1.5) USER MOD Single : A 37 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.23) USER MOD Single : A 45 SER OG : rot 42:sc= 0.534 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 43:sc= 0.0243 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.0427 (180deg=-0.439) USER MOD Single : A 54 ASN : amide:sc= -2.7! C(o=-2.7!,f=-8!) USER MOD Single : A 57 THR OG1 : rot 68:sc= 1.13 USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= -0.0325 (180deg=-0.689) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.59) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.172 (180deg=-0.945) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 81:sc= 0.63 USER MOD Single : A 75 SER OG : rot -121:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.405 -10.696 13.286 1.00 0.00 N ATOM 2 CA GLN A 6 1.573 -9.514 13.100 1.00 0.00 C ATOM 3 C GLN A 6 2.326 -8.256 13.519 1.00 0.00 C ATOM 4 O GLN A 6 1.969 -7.146 13.124 1.00 0.00 O ATOM 5 CB GLN A 6 0.291 -9.643 13.927 1.00 0.00 C ATOM 6 CG GLN A 6 -0.591 -8.413 13.697 1.00 0.00 C ATOM 7 CD GLN A 6 -1.961 -8.629 14.331 1.00 0.00 C ATOM 8 OE1 GLN A 6 -2.104 -9.531 15.263 1.00 0.00 O flip ATOM 9 NE2 GLN A 6 -2.926 -7.957 13.967 1.00 0.00 N flip ATOM 0 HA GLN A 6 1.318 -9.435 12.043 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.247 -10.548 13.644 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.536 -9.735 14.985 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.117 -7.530 14.126 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.701 -8.228 12.628 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.811 -7.253 13.238 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.840 -8.105 14.394 1.00 0.00 H new ATOM 18 N GLN A 7 3.370 -8.437 14.323 1.00 0.00 N ATOM 19 CA GLN A 7 4.168 -7.311 14.790 1.00 0.00 C ATOM 20 C GLN A 7 4.439 -6.339 13.645 1.00 0.00 C ATOM 21 O GLN A 7 4.051 -5.173 13.702 1.00 0.00 O ATOM 22 CB GLN A 7 5.496 -7.822 15.371 1.00 0.00 C ATOM 23 CG GLN A 7 5.814 -7.085 16.675 1.00 0.00 C ATOM 24 CD GLN A 7 7.283 -7.275 17.038 1.00 0.00 C ATOM 25 OE1 GLN A 7 8.192 -7.184 16.106 1.00 0.00 O flip ATOM 26 NE2 GLN A 7 7.611 -7.512 18.200 1.00 0.00 N flip ATOM 0 H GLN A 7 3.681 -9.347 14.662 1.00 0.00 H new ATOM 0 HA GLN A 7 3.614 -6.785 15.567 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.433 -8.894 15.556 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.300 -7.669 14.651 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.593 -6.023 16.565 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.181 -7.461 17.479 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.899 -7.583 18.927 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.595 -7.638 18.437 1.00 0.00 H new ATOM 35 N GLN A 8 5.107 -6.827 12.605 1.00 0.00 N ATOM 36 CA GLN A 8 5.422 -5.992 11.453 1.00 0.00 C ATOM 37 C GLN A 8 4.195 -5.201 11.009 1.00 0.00 C ATOM 38 O GLN A 8 4.307 -4.052 10.578 1.00 0.00 O ATOM 39 CB GLN A 8 5.916 -6.862 10.296 1.00 0.00 C ATOM 40 CG GLN A 8 6.552 -5.976 9.224 1.00 0.00 C ATOM 41 CD GLN A 8 7.913 -5.479 9.699 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.005 -4.316 10.285 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 8.919 -6.167 9.532 1.00 0.00 N flip ATOM 0 H GLN A 8 5.438 -7.789 12.536 1.00 0.00 H new ATOM 0 HA GLN A 8 6.206 -5.291 11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.642 -7.589 10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.085 -7.425 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.664 -6.537 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.901 -5.129 9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.845 -7.075 9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.827 -5.829 9.852 1.00 0.00 H new ATOM 52 N ALA A 9 3.025 -5.824 11.113 1.00 0.00 N ATOM 53 CA ALA A 9 1.784 -5.169 10.714 1.00 0.00 C ATOM 54 C ALA A 9 1.451 -4.019 11.661 1.00 0.00 C ATOM 55 O ALA A 9 1.452 -2.854 11.262 1.00 0.00 O ATOM 56 CB ALA A 9 0.637 -6.181 10.711 1.00 0.00 C ATOM 0 H ALA A 9 2.910 -6.774 11.467 1.00 0.00 H new ATOM 0 HA ALA A 9 1.916 -4.767 9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.286 -5.684 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.861 -6.983 10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.517 -6.598 11.711 1.00 0.00 H new ATOM 62 N VAL A 10 1.161 -4.352 12.915 1.00 0.00 N ATOM 63 CA VAL A 10 0.822 -3.335 13.905 1.00 0.00 C ATOM 64 C VAL A 10 1.965 -2.336 14.064 1.00 0.00 C ATOM 65 O VAL A 10 1.739 -1.166 14.371 1.00 0.00 O ATOM 66 CB VAL A 10 0.517 -3.996 15.253 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.651 -4.951 15.626 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.379 -2.919 16.333 1.00 0.00 C ATOM 0 H VAL A 10 1.154 -5.309 13.268 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.062 -2.799 13.560 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.416 -4.555 15.177 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.431 -5.420 16.585 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.746 -5.720 14.860 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.586 -4.395 15.699 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.162 -3.391 17.291 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.310 -2.357 16.408 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.433 -2.242 16.070 1.00 0.00 H new ATOM 78 N LEU A 11 3.191 -2.802 13.851 1.00 0.00 N ATOM 79 CA LEU A 11 4.357 -1.935 13.972 1.00 0.00 C ATOM 80 C LEU A 11 4.330 -0.856 12.895 1.00 0.00 C ATOM 81 O LEU A 11 4.303 0.337 13.198 1.00 0.00 O ATOM 82 CB LEU A 11 5.643 -2.759 13.842 1.00 0.00 C ATOM 83 CG LEU A 11 5.924 -3.511 15.150 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.085 -4.485 14.931 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.294 -2.515 16.262 1.00 0.00 C ATOM 0 H LEU A 11 3.402 -3.767 13.596 1.00 0.00 H new ATOM 0 HA LEU A 11 4.333 -1.459 14.952 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.548 -3.468 13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.481 -2.104 13.603 1.00 0.00 H new ATOM 0 HG LEU A 11 5.031 -4.060 15.448 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.289 -5.022 15.857 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.820 -5.197 14.149 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.974 -3.930 14.630 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.492 -3.058 17.186 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.185 -1.959 15.971 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.468 -1.821 16.419 1.00 0.00 H new ATOM 97 N GLU A 12 4.335 -1.283 11.636 1.00 0.00 N ATOM 98 CA GLU A 12 4.310 -0.344 10.522 1.00 0.00 C ATOM 99 C GLU A 12 3.065 0.536 10.593 1.00 0.00 C ATOM 100 O GLU A 12 3.118 1.729 10.294 1.00 0.00 O ATOM 101 CB GLU A 12 4.324 -1.106 9.195 1.00 0.00 C ATOM 102 CG GLU A 12 5.700 -1.741 8.985 1.00 0.00 C ATOM 103 CD GLU A 12 5.769 -2.391 7.607 1.00 0.00 C ATOM 104 OE1 GLU A 12 5.159 -1.862 6.693 1.00 0.00 O ATOM 105 OE2 GLU A 12 6.431 -3.409 7.486 1.00 0.00 O ATOM 0 H GLU A 12 4.356 -2.266 11.364 1.00 0.00 H new ATOM 0 HA GLU A 12 5.194 0.290 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.553 -1.876 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.095 -0.429 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.478 -0.983 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.888 -2.486 9.758 1.00 0.00 H new ATOM 112 N GLN A 13 1.947 -0.062 10.989 1.00 0.00 N ATOM 113 CA GLN A 13 0.694 0.676 11.096 1.00 0.00 C ATOM 114 C GLN A 13 0.812 1.782 12.141 1.00 0.00 C ATOM 115 O GLN A 13 0.352 2.903 11.928 1.00 0.00 O ATOM 116 CB GLN A 13 -0.443 -0.278 11.477 1.00 0.00 C ATOM 117 CG GLN A 13 -1.751 0.504 11.644 1.00 0.00 C ATOM 118 CD GLN A 13 -2.069 1.275 10.366 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.234 0.676 9.303 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.166 2.575 10.406 1.00 0.00 N ATOM 0 H GLN A 13 1.882 -1.049 11.240 1.00 0.00 H new ATOM 0 HA GLN A 13 0.475 1.130 10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.562 -1.041 10.708 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.199 -0.796 12.404 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.566 -0.181 11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.666 1.195 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.029 3.070 11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.379 3.097 9.556 1.00 0.00 H new ATOM 129 N GLU A 14 1.431 1.457 13.272 1.00 0.00 N ATOM 130 CA GLU A 14 1.604 2.432 14.343 1.00 0.00 C ATOM 131 C GLU A 14 2.538 3.553 13.900 1.00 0.00 C ATOM 132 O GLU A 14 2.223 4.732 14.052 1.00 0.00 O ATOM 133 CB GLU A 14 2.174 1.746 15.588 1.00 0.00 C ATOM 134 CG GLU A 14 1.065 0.969 16.300 1.00 0.00 C ATOM 135 CD GLU A 14 0.147 1.934 17.044 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.441 3.118 17.045 1.00 0.00 O ATOM 137 OE2 GLU A 14 -0.837 1.474 17.600 1.00 0.00 O ATOM 0 H GLU A 14 1.818 0.534 13.470 1.00 0.00 H new ATOM 0 HA GLU A 14 0.630 2.861 14.581 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.981 1.070 15.306 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.601 2.489 16.261 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.490 0.393 15.575 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.501 0.256 17.000 1.00 0.00 H new ATOM 144 N ARG A 15 3.689 3.177 13.350 1.00 0.00 N ATOM 145 CA ARG A 15 4.659 4.162 12.889 1.00 0.00 C ATOM 146 C ARG A 15 4.003 5.150 11.929 1.00 0.00 C ATOM 147 O ARG A 15 4.138 6.364 12.085 1.00 0.00 O ATOM 148 CB ARG A 15 5.824 3.460 12.185 1.00 0.00 C ATOM 149 CG ARG A 15 6.666 2.705 13.216 1.00 0.00 C ATOM 150 CD ARG A 15 7.935 2.174 12.546 1.00 0.00 C ATOM 151 NE ARG A 15 8.672 3.267 11.924 1.00 0.00 N ATOM 152 CZ ARG A 15 9.840 3.056 11.325 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.345 1.853 11.287 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.481 4.050 10.775 1.00 0.00 N ATOM 0 H ARG A 15 3.970 2.206 13.214 1.00 0.00 H new ATOM 0 HA ARG A 15 5.034 4.708 13.755 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.444 2.768 11.433 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.440 4.191 11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.927 3.366 14.042 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.091 1.880 13.637 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.563 1.676 13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.674 1.428 11.795 1.00 0.00 H new ATOM 0 HE ARG A 15 8.285 4.210 11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.844 1.076 11.717 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.241 1.690 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.086 4.990 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.377 3.887 10.316 1.00 0.00 H new ATOM 168 N ARG A 16 3.294 4.621 10.937 1.00 0.00 N ATOM 169 CA ARG A 16 2.621 5.467 9.958 1.00 0.00 C ATOM 170 C ARG A 16 1.571 6.342 10.636 1.00 0.00 C ATOM 171 O ARG A 16 1.654 7.570 10.598 1.00 0.00 O ATOM 172 CB ARG A 16 1.953 4.600 8.890 1.00 0.00 C ATOM 173 CG ARG A 16 3.027 3.925 8.033 1.00 0.00 C ATOM 174 CD ARG A 16 2.366 2.948 7.060 1.00 0.00 C ATOM 175 NE ARG A 16 3.375 2.118 6.413 1.00 0.00 N ATOM 176 CZ ARG A 16 3.098 1.434 5.309 1.00 0.00 C ATOM 177 NH1 ARG A 16 1.906 1.498 4.783 1.00 0.00 N ATOM 178 NH2 ARG A 16 4.019 0.698 4.749 1.00 0.00 N ATOM 0 H ARG A 16 3.171 3.619 10.790 1.00 0.00 H new ATOM 0 HA ARG A 16 3.366 6.111 9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.322 3.846 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.304 5.212 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.593 4.676 7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.736 3.396 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.655 2.318 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.802 3.499 6.308 1.00 0.00 H new ATOM 0 HE ARG A 16 4.310 2.062 6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.186 2.074 5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.694 0.972 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.951 0.648 5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.806 0.173 3.901 1.00 0.00 H new ATOM 192 N ASP A 17 0.584 5.701 11.256 1.00 0.00 N ATOM 193 CA ASP A 17 -0.479 6.431 11.939 1.00 0.00 C ATOM 194 C ASP A 17 0.089 7.627 12.698 1.00 0.00 C ATOM 195 O ASP A 17 -0.390 8.751 12.552 1.00 0.00 O ATOM 196 CB ASP A 17 -1.203 5.502 12.916 1.00 0.00 C ATOM 197 CG ASP A 17 -2.282 6.276 13.668 1.00 0.00 C ATOM 198 OD1 ASP A 17 -1.931 7.209 14.372 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.441 5.925 13.528 1.00 0.00 O ATOM 0 H ASP A 17 0.498 4.686 11.300 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.183 6.794 11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.652 4.669 12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.490 5.076 13.622 1.00 0.00 H new ATOM 204 N ARG A 18 1.115 7.376 13.506 1.00 0.00 N ATOM 205 CA ARG A 18 1.741 8.440 14.282 1.00 0.00 C ATOM 206 C ARG A 18 2.377 9.474 13.357 1.00 0.00 C ATOM 207 O ARG A 18 2.133 10.673 13.491 1.00 0.00 O ATOM 208 CB ARG A 18 2.809 7.854 15.206 1.00 0.00 C ATOM 209 CG ARG A 18 2.134 7.059 16.327 1.00 0.00 C ATOM 210 CD ARG A 18 3.201 6.394 17.196 1.00 0.00 C ATOM 211 NE ARG A 18 2.592 5.393 18.065 1.00 0.00 N ATOM 212 CZ ARG A 18 3.208 4.973 19.166 1.00 0.00 C ATOM 213 NH1 ARG A 18 4.377 5.456 19.485 1.00 0.00 N ATOM 214 NH2 ARG A 18 2.643 4.076 19.927 1.00 0.00 N ATOM 0 H ARG A 18 1.527 6.453 13.640 1.00 0.00 H new ATOM 0 HA ARG A 18 0.972 8.928 14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.480 7.207 14.640 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.418 8.653 15.628 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.516 7.720 16.934 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.472 6.303 15.904 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.956 5.926 16.564 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.711 7.146 17.798 1.00 0.00 H new ATOM 0 HE ARG A 18 1.678 5.009 17.824 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.819 6.156 18.890 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.849 5.133 20.330 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.729 3.697 19.677 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.115 3.753 20.772 1.00 0.00 H new ATOM 228 N GLU A 19 3.191 9.001 12.420 1.00 0.00 N ATOM 229 CA GLU A 19 3.856 9.895 11.478 1.00 0.00 C ATOM 230 C GLU A 19 2.832 10.751 10.741 1.00 0.00 C ATOM 231 O GLU A 19 2.834 11.976 10.859 1.00 0.00 O ATOM 232 CB GLU A 19 4.668 9.080 10.469 1.00 0.00 C ATOM 233 CG GLU A 19 5.935 8.547 11.141 1.00 0.00 C ATOM 234 CD GLU A 19 6.949 9.674 11.312 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.622 10.795 10.960 1.00 0.00 O ATOM 236 OE2 GLU A 19 8.036 9.399 11.793 1.00 0.00 O ATOM 0 H GLU A 19 3.405 8.012 12.292 1.00 0.00 H new ATOM 0 HA GLU A 19 4.525 10.550 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.070 8.252 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.932 9.701 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.688 8.118 12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.366 7.747 10.540 1.00 0.00 H new ATOM 243 N LEU A 20 1.959 10.099 9.980 1.00 0.00 N ATOM 244 CA LEU A 20 0.933 10.813 9.229 1.00 0.00 C ATOM 245 C LEU A 20 0.173 11.770 10.143 1.00 0.00 C ATOM 246 O LEU A 20 0.230 12.986 9.968 1.00 0.00 O ATOM 247 CB LEU A 20 -0.044 9.814 8.597 1.00 0.00 C ATOM 248 CG LEU A 20 0.520 9.314 7.264 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.896 8.685 7.491 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.427 8.267 6.673 1.00 0.00 C ATOM 0 H LEU A 20 1.941 9.085 9.867 1.00 0.00 H new ATOM 0 HA LEU A 20 1.417 11.390 8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.207 8.974 9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.012 10.288 8.438 1.00 0.00 H new ATOM 0 HG LEU A 20 0.616 10.152 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.295 8.330 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.571 9.429 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.803 7.847 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.028 7.910 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.522 7.430 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.407 8.715 6.509 1.00 0.00 H new ATOM 262 N ALA A 21 -0.535 11.211 11.120 1.00 0.00 N ATOM 263 CA ALA A 21 -1.303 12.026 12.057 1.00 0.00 C ATOM 264 C ALA A 21 -0.507 13.261 12.470 1.00 0.00 C ATOM 265 O ALA A 21 -1.048 14.364 12.546 1.00 0.00 O ATOM 266 CB ALA A 21 -1.653 11.203 13.299 1.00 0.00 C ATOM 0 H ALA A 21 -0.593 10.206 11.283 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.220 12.347 11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.226 11.818 13.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.247 10.337 13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.736 10.867 13.783 1.00 0.00 H new ATOM 272 N LEU A 22 0.781 13.066 12.732 1.00 0.00 N ATOM 273 CA LEU A 22 1.644 14.170 13.134 1.00 0.00 C ATOM 274 C LEU A 22 1.841 15.140 11.974 1.00 0.00 C ATOM 275 O LEU A 22 1.924 16.353 12.172 1.00 0.00 O ATOM 276 CB LEU A 22 3.004 13.629 13.587 1.00 0.00 C ATOM 277 CG LEU A 22 3.791 14.734 14.304 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.418 14.759 15.790 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.293 14.462 14.167 1.00 0.00 C ATOM 0 H LEU A 22 1.247 12.161 12.674 1.00 0.00 H new ATOM 0 HA LEU A 22 1.170 14.699 13.961 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.863 12.779 14.254 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.567 13.269 12.726 1.00 0.00 H new ATOM 0 HG LEU A 22 3.547 15.696 13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.980 15.546 16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.350 14.953 15.894 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.658 13.796 16.242 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.853 15.247 14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.530 13.497 14.616 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.566 14.448 13.112 1.00 0.00 H new ATOM 291 N ARG A 23 1.914 14.597 10.764 1.00 0.00 N ATOM 292 CA ARG A 23 2.100 15.421 9.576 1.00 0.00 C ATOM 293 C ARG A 23 0.820 16.185 9.249 1.00 0.00 C ATOM 294 O ARG A 23 0.860 17.364 8.899 1.00 0.00 O ATOM 295 CB ARG A 23 2.487 14.541 8.386 1.00 0.00 C ATOM 296 CG ARG A 23 3.930 14.061 8.553 1.00 0.00 C ATOM 297 CD ARG A 23 4.225 12.963 7.530 1.00 0.00 C ATOM 298 NE ARG A 23 3.855 13.408 6.192 1.00 0.00 N ATOM 299 CZ ARG A 23 4.342 12.810 5.110 1.00 0.00 C ATOM 300 NH1 ARG A 23 5.169 11.808 5.234 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.996 13.226 3.922 1.00 0.00 N ATOM 0 H ARG A 23 1.848 13.596 10.580 1.00 0.00 H new ATOM 0 HA ARG A 23 2.898 16.137 9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.814 13.686 8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.384 15.102 7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.619 14.894 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.084 13.682 9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.284 12.707 7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.672 12.059 7.786 1.00 0.00 H new ATOM 0 HE ARG A 23 3.211 14.192 6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.442 11.484 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.543 11.349 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.352 14.010 3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.370 12.767 3.092 1.00 0.00 H new ATOM 315 N ILE A 24 -0.315 15.505 9.368 1.00 0.00 N ATOM 316 CA ILE A 24 -1.601 16.129 9.083 1.00 0.00 C ATOM 317 C ILE A 24 -1.954 17.151 10.159 1.00 0.00 C ATOM 318 O ILE A 24 -2.634 18.140 9.890 1.00 0.00 O ATOM 319 CB ILE A 24 -2.695 15.062 9.012 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.278 13.970 8.024 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.003 15.702 8.542 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.309 12.841 8.044 1.00 0.00 C ATOM 0 H ILE A 24 -0.371 14.529 9.658 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.529 16.641 8.123 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.840 14.624 9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.198 14.385 7.019 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.294 13.583 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.782 14.942 8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.300 16.480 9.245 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.859 16.140 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.011 12.064 7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.367 12.419 9.047 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.285 13.234 7.759 1.00 0.00 H new ATOM 334 N ALA A 25 -1.487 16.904 11.379 1.00 0.00 N ATOM 335 CA ALA A 25 -1.761 17.812 12.488 1.00 0.00 C ATOM 336 C ALA A 25 -0.894 19.063 12.387 1.00 0.00 C ATOM 337 O ALA A 25 -1.400 20.185 12.423 1.00 0.00 O ATOM 338 CB ALA A 25 -1.490 17.106 13.818 1.00 0.00 C ATOM 0 H ALA A 25 -0.922 16.091 11.624 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.809 18.108 12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.697 17.790 14.641 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.134 16.231 13.903 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.446 16.794 13.858 1.00 0.00 H new ATOM 344 N GLN A 26 0.413 18.865 12.262 1.00 0.00 N ATOM 345 CA GLN A 26 1.337 19.987 12.157 1.00 0.00 C ATOM 346 C GLN A 26 1.089 20.763 10.867 1.00 0.00 C ATOM 347 O GLN A 26 1.259 21.981 10.820 1.00 0.00 O ATOM 348 CB GLN A 26 2.782 19.481 12.189 1.00 0.00 C ATOM 349 CG GLN A 26 3.128 18.816 10.853 1.00 0.00 C ATOM 350 CD GLN A 26 4.340 17.905 11.021 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.375 17.059 12.015 1.00 0.00 O flip ATOM 352 NE2 GLN A 26 5.278 17.965 10.227 1.00 0.00 N flip ATOM 0 H GLN A 26 0.854 17.946 12.231 1.00 0.00 H new ATOM 0 HA GLN A 26 1.172 20.653 13.004 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.463 20.310 12.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.910 18.769 13.004 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.276 18.239 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.337 19.578 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.248 18.627 9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.085 17.353 10.344 1.00 0.00 H new ATOM 361 N SER A 27 0.687 20.047 9.821 1.00 0.00 N ATOM 362 CA SER A 27 0.419 20.677 8.533 1.00 0.00 C ATOM 363 C SER A 27 -0.893 21.455 8.578 1.00 0.00 C ATOM 364 O SER A 27 -0.918 22.662 8.336 1.00 0.00 O ATOM 365 CB SER A 27 0.346 19.615 7.437 1.00 0.00 C ATOM 366 OG SER A 27 0.060 20.243 6.194 1.00 0.00 O ATOM 0 H SER A 27 0.541 19.038 9.839 1.00 0.00 H new ATOM 0 HA SER A 27 1.232 21.370 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.290 19.074 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.426 18.883 7.674 1.00 0.00 H new ATOM 0 HG SER A 27 -0.572 19.692 5.687 1.00 0.00 H new ATOM 372 N GLU A 28 -1.982 20.757 8.884 1.00 0.00 N ATOM 373 CA GLU A 28 -3.291 21.397 8.953 1.00 0.00 C ATOM 374 C GLU A 28 -3.292 22.506 10.001 1.00 0.00 C ATOM 375 O GLU A 28 -4.052 23.468 9.899 1.00 0.00 O ATOM 376 CB GLU A 28 -4.368 20.356 9.288 1.00 0.00 C ATOM 377 CG GLU A 28 -4.319 20.008 10.781 1.00 0.00 C ATOM 378 CD GLU A 28 -5.137 21.016 11.583 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.276 21.251 11.216 1.00 0.00 O ATOM 380 OE2 GLU A 28 -4.611 21.537 12.553 1.00 0.00 O ATOM 0 H GLU A 28 -1.985 19.757 9.086 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.512 21.839 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.353 20.744 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.213 19.457 8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.709 19.003 10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.286 20.008 11.128 1.00 0.00 H new ATOM 387 N ALA A 29 -2.435 22.364 11.008 1.00 0.00 N ATOM 388 CA ALA A 29 -2.346 23.362 12.068 1.00 0.00 C ATOM 389 C ALA A 29 -1.544 24.572 11.600 1.00 0.00 C ATOM 390 O ALA A 29 -1.932 25.716 11.839 1.00 0.00 O ATOM 391 CB ALA A 29 -1.681 22.754 13.304 1.00 0.00 C ATOM 0 H ALA A 29 -1.798 21.575 11.112 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.356 23.686 12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.619 23.506 14.091 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.272 21.909 13.656 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.678 22.414 13.047 1.00 0.00 H new ATOM 397 N GLU A 30 -0.425 24.311 10.931 1.00 0.00 N ATOM 398 CA GLU A 30 0.425 25.387 10.435 1.00 0.00 C ATOM 399 C GLU A 30 -0.126 25.949 9.128 1.00 0.00 C ATOM 400 O GLU A 30 0.184 27.077 8.745 1.00 0.00 O ATOM 401 CB GLU A 30 1.847 24.867 10.210 1.00 0.00 C ATOM 402 CG GLU A 30 2.474 24.498 11.555 1.00 0.00 C ATOM 403 CD GLU A 30 2.815 25.764 12.336 1.00 0.00 C ATOM 404 OE1 GLU A 30 1.963 26.226 13.076 1.00 0.00 O ATOM 405 OE2 GLU A 30 3.922 26.251 12.181 1.00 0.00 O ATOM 0 H GLU A 30 -0.088 23.371 10.721 1.00 0.00 H new ATOM 0 HA GLU A 30 0.442 26.183 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.828 23.996 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.449 25.627 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.784 23.881 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.375 23.905 11.395 1.00 0.00 H new ATOM 412 N LEU A 31 -0.950 25.156 8.450 1.00 0.00 N ATOM 413 CA LEU A 31 -1.544 25.585 7.189 1.00 0.00 C ATOM 414 C LEU A 31 -0.474 26.146 6.255 1.00 0.00 C ATOM 415 O LEU A 31 -0.765 26.968 5.385 1.00 0.00 O ATOM 416 CB LEU A 31 -2.615 26.650 7.464 1.00 0.00 C ATOM 417 CG LEU A 31 -3.985 25.981 7.652 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.881 26.877 8.510 1.00 0.00 C ATOM 419 CD2 LEU A 31 -4.644 25.767 6.287 1.00 0.00 C ATOM 0 H LEU A 31 -1.220 24.219 8.750 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.005 24.724 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.353 27.219 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.657 27.358 6.636 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.849 25.019 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.852 26.401 8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.416 27.030 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.013 27.839 8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.616 25.292 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.776 26.729 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.010 25.127 5.673 1.00 0.00 H new ATOM 431 N ILE A 32 0.763 25.694 6.436 1.00 0.00 N ATOM 432 CA ILE A 32 1.864 26.156 5.597 1.00 0.00 C ATOM 433 C ILE A 32 1.857 25.423 4.259 1.00 0.00 C ATOM 434 O ILE A 32 2.024 26.032 3.204 1.00 0.00 O ATOM 435 CB ILE A 32 3.201 25.921 6.310 1.00 0.00 C ATOM 436 CG1 ILE A 32 3.347 26.914 7.476 1.00 0.00 C ATOM 437 CG2 ILE A 32 4.357 26.106 5.320 1.00 0.00 C ATOM 438 CD1 ILE A 32 3.938 28.239 6.979 1.00 0.00 C ATOM 0 H ILE A 32 1.027 25.014 7.149 1.00 0.00 H new ATOM 0 HA ILE A 32 1.737 27.223 5.414 1.00 0.00 H new ATOM 0 HB ILE A 32 3.227 24.904 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.374 27.092 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.990 26.488 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.305 25.938 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.254 25.392 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.335 27.120 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.035 28.931 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.920 28.058 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.280 28.671 6.225 1.00 0.00 H new ATOM 450 N SER A 33 1.662 24.110 4.313 1.00 0.00 N ATOM 451 CA SER A 33 1.635 23.300 3.100 1.00 0.00 C ATOM 452 C SER A 33 0.360 23.567 2.308 1.00 0.00 C ATOM 453 O SER A 33 -0.528 22.718 2.239 1.00 0.00 O ATOM 454 CB SER A 33 1.715 21.818 3.459 1.00 0.00 C ATOM 455 OG SER A 33 0.578 21.460 4.234 1.00 0.00 O ATOM 0 H SER A 33 1.521 23.587 5.177 1.00 0.00 H new ATOM 0 HA SER A 33 2.494 23.570 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.756 21.214 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.629 21.616 4.018 1.00 0.00 H new ATOM 0 HG SER A 33 0.856 20.879 4.973 1.00 0.00 H new ATOM 461 N ASP A 34 0.278 24.751 1.712 1.00 0.00 N ATOM 462 CA ASP A 34 -0.891 25.120 0.925 1.00 0.00 C ATOM 463 C ASP A 34 -0.896 24.379 -0.408 1.00 0.00 C ATOM 464 O ASP A 34 -1.953 24.120 -0.983 1.00 0.00 O ATOM 465 CB ASP A 34 -0.896 26.629 0.672 1.00 0.00 C ATOM 466 CG ASP A 34 -2.267 27.071 0.171 1.00 0.00 C ATOM 467 OD1 ASP A 34 -3.119 26.214 0.004 1.00 0.00 O ATOM 468 OD2 ASP A 34 -2.445 28.259 -0.036 1.00 0.00 O ATOM 0 H ASP A 34 1.003 25.467 1.758 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.784 24.843 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.647 27.161 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.132 26.885 -0.062 1.00 0.00 H new ATOM 473 N GLU A 35 0.294 24.040 -0.894 1.00 0.00 N ATOM 474 CA GLU A 35 0.417 23.328 -2.160 1.00 0.00 C ATOM 475 C GLU A 35 -0.321 21.994 -2.098 1.00 0.00 C ATOM 476 O GLU A 35 -0.993 21.601 -3.052 1.00 0.00 O ATOM 477 CB GLU A 35 1.893 23.083 -2.481 1.00 0.00 C ATOM 478 CG GLU A 35 2.490 22.132 -1.442 1.00 0.00 C ATOM 479 CD GLU A 35 4.012 22.138 -1.543 1.00 0.00 C ATOM 480 OE1 GLU A 35 4.539 23.015 -2.209 1.00 0.00 O ATOM 481 OE2 GLU A 35 4.628 21.266 -0.954 1.00 0.00 O ATOM 0 H GLU A 35 1.181 24.245 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.028 23.940 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.993 22.657 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.438 24.027 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.183 22.434 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.111 21.122 -1.601 1.00 0.00 H new ATOM 488 N ALA A 36 -0.191 21.305 -0.969 1.00 0.00 N ATOM 489 CA ALA A 36 -0.850 20.016 -0.793 1.00 0.00 C ATOM 490 C ALA A 36 -2.364 20.172 -0.892 1.00 0.00 C ATOM 491 O ALA A 36 -3.018 19.496 -1.686 1.00 0.00 O ATOM 492 CB ALA A 36 -0.484 19.424 0.568 1.00 0.00 C ATOM 0 H ALA A 36 0.360 21.614 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.512 19.345 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.980 18.461 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.596 19.286 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.806 20.102 1.358 1.00 0.00 H new ATOM 498 N GLN A 37 -2.916 21.070 -0.081 1.00 0.00 N ATOM 499 CA GLN A 37 -4.354 21.307 -0.085 1.00 0.00 C ATOM 500 C GLN A 37 -4.839 21.631 -1.495 1.00 0.00 C ATOM 501 O GLN A 37 -5.870 21.125 -1.939 1.00 0.00 O ATOM 502 CB GLN A 37 -4.696 22.467 0.852 1.00 0.00 C ATOM 503 CG GLN A 37 -4.104 22.195 2.236 1.00 0.00 C ATOM 504 CD GLN A 37 -4.734 20.943 2.837 1.00 0.00 C ATOM 505 OE1 GLN A 37 -5.714 21.034 3.577 1.00 0.00 O ATOM 506 NE2 GLN A 37 -4.228 19.773 2.560 1.00 0.00 N ATOM 0 H GLN A 37 -2.393 21.641 0.583 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.853 20.402 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.300 23.401 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.777 22.584 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.024 22.068 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.279 23.050 2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.416 19.701 1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.644 18.930 2.957 1.00 0.00 H new ATOM 515 N ALA A 38 -4.090 22.476 -2.194 1.00 0.00 N ATOM 516 CA ALA A 38 -4.454 22.860 -3.553 1.00 0.00 C ATOM 517 C ALA A 38 -4.471 21.639 -4.469 1.00 0.00 C ATOM 518 O ALA A 38 -5.390 21.465 -5.269 1.00 0.00 O ATOM 519 CB ALA A 38 -3.456 23.889 -4.090 1.00 0.00 C ATOM 0 H ALA A 38 -3.233 22.906 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.452 23.298 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.735 24.171 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.466 24.773 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.455 23.457 -4.095 1.00 0.00 H new ATOM 525 N ASP A 39 -3.449 20.798 -4.346 1.00 0.00 N ATOM 526 CA ASP A 39 -3.358 19.597 -5.167 1.00 0.00 C ATOM 527 C ASP A 39 -4.501 18.640 -4.847 1.00 0.00 C ATOM 528 O ASP A 39 -5.202 18.174 -5.744 1.00 0.00 O ATOM 529 CB ASP A 39 -2.020 18.896 -4.925 1.00 0.00 C ATOM 530 CG ASP A 39 -0.873 19.793 -5.378 1.00 0.00 C ATOM 531 OD1 ASP A 39 -1.063 20.998 -5.402 1.00 0.00 O ATOM 532 OD2 ASP A 39 0.179 19.262 -5.693 1.00 0.00 O ATOM 0 H ASP A 39 -2.678 20.925 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.428 19.892 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.911 18.658 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.991 17.952 -5.469 1.00 0.00 H new ATOM 537 N LEU A 40 -4.688 18.353 -3.565 1.00 0.00 N ATOM 538 CA LEU A 40 -5.754 17.453 -3.148 1.00 0.00 C ATOM 539 C LEU A 40 -7.109 17.998 -3.587 1.00 0.00 C ATOM 540 O LEU A 40 -8.031 17.237 -3.881 1.00 0.00 O ATOM 541 CB LEU A 40 -5.736 17.288 -1.625 1.00 0.00 C ATOM 542 CG LEU A 40 -4.377 16.732 -1.181 1.00 0.00 C ATOM 543 CD1 LEU A 40 -4.176 17.010 0.310 1.00 0.00 C ATOM 544 CD2 LEU A 40 -4.328 15.220 -1.423 1.00 0.00 C ATOM 0 H LEU A 40 -4.122 18.726 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.592 16.483 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.922 18.248 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.535 16.615 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.588 17.216 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.211 16.615 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.204 18.085 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.970 16.528 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.360 14.832 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.119 14.734 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.470 15.017 -2.484 1.00 0.00 H new ATOM 556 N ALA A 41 -7.221 19.323 -3.627 1.00 0.00 N ATOM 557 CA ALA A 41 -8.466 19.967 -4.028 1.00 0.00 C ATOM 558 C ALA A 41 -8.693 19.831 -5.531 1.00 0.00 C ATOM 559 O ALA A 41 -9.819 19.609 -5.977 1.00 0.00 O ATOM 560 CB ALA A 41 -8.431 21.448 -3.648 1.00 0.00 C ATOM 0 H ALA A 41 -6.468 19.968 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.287 19.474 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.364 21.923 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.308 21.544 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.596 21.934 -4.153 1.00 0.00 H new ATOM 566 N LEU A 42 -7.624 19.972 -6.310 1.00 0.00 N ATOM 567 CA LEU A 42 -7.734 19.865 -7.762 1.00 0.00 C ATOM 568 C LEU A 42 -7.551 18.417 -8.210 1.00 0.00 C ATOM 569 O LEU A 42 -7.959 18.041 -9.310 1.00 0.00 O ATOM 570 CB LEU A 42 -6.692 20.777 -8.438 1.00 0.00 C ATOM 571 CG LEU A 42 -5.317 20.087 -8.506 1.00 0.00 C ATOM 572 CD1 LEU A 42 -5.144 19.381 -9.859 1.00 0.00 C ATOM 573 CD2 LEU A 42 -4.212 21.139 -8.347 1.00 0.00 C ATOM 0 H LEU A 42 -6.682 20.158 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.731 20.189 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.025 21.032 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.607 21.712 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.252 19.350 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.168 18.897 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.926 18.631 -9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.215 20.113 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.237 20.653 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.291 21.874 -9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.321 21.639 -7.385 1.00 0.00 H new ATOM 585 N ARG A 43 -6.944 17.607 -7.349 1.00 0.00 N ATOM 586 CA ARG A 43 -6.716 16.200 -7.665 1.00 0.00 C ATOM 587 C ARG A 43 -7.973 15.378 -7.397 1.00 0.00 C ATOM 588 O ARG A 43 -8.333 14.505 -8.187 1.00 0.00 O ATOM 589 CB ARG A 43 -5.558 15.656 -6.827 1.00 0.00 C ATOM 590 CG ARG A 43 -5.264 14.210 -7.235 1.00 0.00 C ATOM 591 CD ARG A 43 -4.056 13.695 -6.452 1.00 0.00 C ATOM 592 NE ARG A 43 -2.836 14.337 -6.926 1.00 0.00 N ATOM 593 CZ ARG A 43 -1.717 14.299 -6.210 1.00 0.00 C ATOM 594 NH1 ARG A 43 -1.698 13.680 -5.061 1.00 0.00 N ATOM 595 NH2 ARG A 43 -0.637 14.881 -6.654 1.00 0.00 N ATOM 0 H ARG A 43 -6.603 17.897 -6.433 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.465 16.122 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.671 16.273 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.810 15.702 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.133 13.582 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.067 14.156 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.191 13.895 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.974 12.614 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.841 14.824 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.542 13.225 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.839 13.651 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.651 15.366 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.221 14.851 -6.104 1.00 0.00 H new ATOM 609 N ARG A 44 -8.635 15.656 -6.277 1.00 0.00 N ATOM 610 CA ARG A 44 -9.848 14.927 -5.921 1.00 0.00 C ATOM 611 C ARG A 44 -10.914 15.100 -6.999 1.00 0.00 C ATOM 612 O ARG A 44 -11.915 14.384 -7.015 1.00 0.00 O ATOM 613 CB ARG A 44 -10.387 15.428 -4.581 1.00 0.00 C ATOM 614 CG ARG A 44 -10.697 16.927 -4.675 1.00 0.00 C ATOM 615 CD ARG A 44 -12.207 17.141 -4.820 1.00 0.00 C ATOM 616 NE ARG A 44 -12.508 18.564 -4.913 1.00 0.00 N ATOM 617 CZ ARG A 44 -13.761 19.004 -4.897 1.00 0.00 C ATOM 618 NH1 ARG A 44 -14.749 18.158 -4.795 1.00 0.00 N ATOM 619 NH2 ARG A 44 -14.005 20.284 -4.982 1.00 0.00 N ATOM 0 H ARG A 44 -8.356 16.373 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.601 13.869 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.288 14.877 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.655 15.247 -3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.333 17.439 -3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.176 17.362 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.571 16.626 -5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.727 16.707 -3.966 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.743 19.234 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.559 17.158 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.711 18.497 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.233 20.946 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.967 20.622 -4.970 1.00 0.00 H new ATOM 633 N SER A 45 -10.691 16.055 -7.897 1.00 0.00 N ATOM 634 CA SER A 45 -11.640 16.314 -8.974 1.00 0.00 C ATOM 635 C SER A 45 -11.439 15.321 -10.116 1.00 0.00 C ATOM 636 O SER A 45 -10.354 15.232 -10.691 1.00 0.00 O ATOM 637 CB SER A 45 -11.458 17.738 -9.497 1.00 0.00 C ATOM 638 OG SER A 45 -12.167 17.883 -10.721 1.00 0.00 O ATOM 0 H SER A 45 -9.868 16.658 -7.901 1.00 0.00 H new ATOM 0 HA SER A 45 -12.650 16.198 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.824 18.457 -8.764 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.400 17.949 -9.649 1.00 0.00 H new ATOM 0 HG SER A 45 -13.038 17.439 -10.649 1.00 0.00 H new ATOM 644 N LEU A 46 -12.493 14.577 -10.438 1.00 0.00 N ATOM 645 CA LEU A 46 -12.422 13.594 -11.513 1.00 0.00 C ATOM 646 C LEU A 46 -12.628 14.264 -12.868 1.00 0.00 C ATOM 647 O LEU A 46 -11.972 13.918 -13.850 1.00 0.00 O ATOM 648 CB LEU A 46 -13.494 12.518 -11.307 1.00 0.00 C ATOM 649 CG LEU A 46 -13.189 11.302 -12.195 1.00 0.00 C ATOM 650 CD1 LEU A 46 -12.265 10.334 -11.450 1.00 0.00 C ATOM 651 CD2 LEU A 46 -14.496 10.584 -12.545 1.00 0.00 C ATOM 0 H LEU A 46 -13.399 14.635 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.434 13.134 -11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -13.523 12.217 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -14.477 12.920 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.699 11.640 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.052 9.474 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.333 10.840 -11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.752 9.998 -10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.280 9.721 -13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.985 10.251 -11.629 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -15.155 11.268 -13.080 1.00 0.00 H new ATOM 663 N ASP A 47 -13.545 15.225 -12.912 1.00 0.00 N ATOM 664 CA ASP A 47 -13.832 15.939 -14.151 1.00 0.00 C ATOM 665 C ASP A 47 -12.686 16.880 -14.508 1.00 0.00 C ATOM 666 O ASP A 47 -12.832 17.759 -15.356 1.00 0.00 O ATOM 667 CB ASP A 47 -15.123 16.744 -14.002 1.00 0.00 C ATOM 668 CG ASP A 47 -15.078 17.571 -12.722 1.00 0.00 C ATOM 669 OD1 ASP A 47 -14.188 17.339 -11.921 1.00 0.00 O ATOM 670 OD2 ASP A 47 -15.936 18.424 -12.560 1.00 0.00 O ATOM 0 H ASP A 47 -14.099 15.526 -12.110 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.948 15.206 -14.950 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.254 17.399 -14.863 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.980 16.071 -13.980 1.00 0.00 H new ATOM 675 N SER A 48 -11.546 16.691 -13.851 1.00 0.00 N ATOM 676 CA SER A 48 -10.380 17.531 -14.105 1.00 0.00 C ATOM 677 C SER A 48 -9.561 16.978 -15.267 1.00 0.00 C ATOM 678 O SER A 48 -9.038 17.734 -16.085 1.00 0.00 O ATOM 679 CB SER A 48 -9.510 17.601 -12.851 1.00 0.00 C ATOM 680 OG SER A 48 -8.413 18.474 -13.089 1.00 0.00 O ATOM 0 H SER A 48 -11.405 15.970 -13.144 1.00 0.00 H new ATOM 0 HA SER A 48 -10.725 18.532 -14.366 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.098 17.959 -12.006 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.148 16.607 -12.589 1.00 0.00 H new ATOM 0 HG SER A 48 -7.853 18.523 -12.286 1.00 0.00 H new ATOM 686 N TYR A 49 -9.453 15.654 -15.333 1.00 0.00 N ATOM 687 CA TYR A 49 -8.695 15.014 -16.400 1.00 0.00 C ATOM 688 C TYR A 49 -9.377 15.241 -17.750 1.00 0.00 C ATOM 689 O TYR A 49 -10.598 15.395 -17.813 1.00 0.00 O ATOM 690 CB TYR A 49 -8.583 13.510 -16.128 1.00 0.00 C ATOM 691 CG TYR A 49 -7.546 13.265 -15.056 1.00 0.00 C ATOM 692 CD1 TYR A 49 -7.775 13.711 -13.748 1.00 0.00 C ATOM 693 CD2 TYR A 49 -6.358 12.593 -15.368 1.00 0.00 C ATOM 694 CE1 TYR A 49 -6.816 13.485 -12.754 1.00 0.00 C ATOM 695 CE2 TYR A 49 -5.400 12.367 -14.374 1.00 0.00 C ATOM 696 CZ TYR A 49 -5.629 12.813 -13.066 1.00 0.00 C ATOM 697 OH TYR A 49 -4.684 12.590 -12.085 1.00 0.00 O ATOM 0 H TYR A 49 -9.877 15.009 -14.666 1.00 0.00 H new ATOM 0 HA TYR A 49 -7.698 15.454 -16.430 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.548 13.114 -15.812 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.307 12.984 -17.042 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.691 14.229 -13.507 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.181 12.249 -16.376 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.992 13.829 -11.746 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.484 11.849 -14.615 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.921 12.110 -12.469 1.00 0.00 H new ATOM 707 N PRO A 50 -8.627 15.261 -18.824 1.00 0.00 N ATOM 708 CA PRO A 50 -9.191 15.471 -20.186 1.00 0.00 C ATOM 709 C PRO A 50 -10.461 14.655 -20.407 1.00 0.00 C ATOM 710 O PRO A 50 -10.444 13.426 -20.335 1.00 0.00 O ATOM 711 CB PRO A 50 -8.069 15.004 -21.115 1.00 0.00 C ATOM 712 CG PRO A 50 -6.808 15.225 -20.347 1.00 0.00 C ATOM 713 CD PRO A 50 -7.165 15.088 -18.864 1.00 0.00 C ATOM 0 HA PRO A 50 -9.486 16.506 -20.357 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.189 13.954 -21.381 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.067 15.570 -22.046 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.049 14.496 -20.631 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.396 16.212 -20.556 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.869 14.115 -18.472 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.659 15.842 -18.262 1.00 0.00 H new ATOM 721 N VAL A 51 -11.555 15.350 -20.678 1.00 0.00 N ATOM 722 CA VAL A 51 -12.833 14.689 -20.910 1.00 0.00 C ATOM 723 C VAL A 51 -12.871 14.082 -22.308 1.00 0.00 C ATOM 724 O VAL A 51 -12.394 14.685 -23.270 1.00 0.00 O ATOM 725 CB VAL A 51 -13.974 15.694 -20.755 1.00 0.00 C ATOM 726 CG1 VAL A 51 -13.749 16.876 -21.700 1.00 0.00 C ATOM 727 CG2 VAL A 51 -15.299 15.014 -21.099 1.00 0.00 C ATOM 0 H VAL A 51 -11.585 16.367 -20.743 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.951 13.892 -20.176 1.00 0.00 H new ATOM 0 HB VAL A 51 -14.003 16.053 -19.726 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.564 17.592 -21.588 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.804 17.361 -21.457 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.719 16.518 -22.729 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.114 15.729 -20.989 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -15.267 14.655 -22.128 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -15.462 14.172 -20.426 1.00 0.00 H new ATOM 737 N SER A 52 -13.440 12.883 -22.414 1.00 0.00 N ATOM 738 CA SER A 52 -13.535 12.199 -23.701 1.00 0.00 C ATOM 739 C SER A 52 -14.955 11.696 -23.936 1.00 0.00 C ATOM 740 O SER A 52 -15.559 11.074 -23.062 1.00 0.00 O ATOM 741 CB SER A 52 -12.563 11.020 -23.736 1.00 0.00 C ATOM 742 OG SER A 52 -12.698 10.263 -22.540 1.00 0.00 O ATOM 0 H SER A 52 -13.840 12.368 -21.630 1.00 0.00 H new ATOM 0 HA SER A 52 -13.277 12.907 -24.489 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.767 10.391 -24.603 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.539 11.381 -23.838 1.00 0.00 H new ATOM 0 HG SER A 52 -13.648 10.163 -22.322 1.00 0.00 H new ATOM 748 N LYS A 53 -15.483 11.970 -25.126 1.00 0.00 N ATOM 749 CA LYS A 53 -16.833 11.542 -25.471 1.00 0.00 C ATOM 750 C LYS A 53 -16.837 10.079 -25.899 1.00 0.00 C ATOM 751 O LYS A 53 -15.864 9.586 -26.469 1.00 0.00 O ATOM 752 CB LYS A 53 -17.381 12.409 -26.606 1.00 0.00 C ATOM 753 CG LYS A 53 -17.097 13.883 -26.304 1.00 0.00 C ATOM 754 CD LYS A 53 -17.868 14.763 -27.289 1.00 0.00 C ATOM 755 CE LYS A 53 -17.390 16.211 -27.163 1.00 0.00 C ATOM 756 NZ LYS A 53 -16.011 16.327 -27.716 1.00 0.00 N ATOM 0 H LYS A 53 -14.999 12.483 -25.863 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.466 11.653 -24.591 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.919 12.125 -27.551 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -18.454 12.249 -26.715 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.392 14.119 -25.281 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.028 14.082 -26.382 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.716 14.406 -28.308 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.937 14.703 -27.086 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.066 16.877 -27.700 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.402 16.520 -26.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.830 17.313 -27.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.322 16.039 -26.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.918 15.710 -28.548 1.00 0.00 H new ATOM 770 N ASN A 54 -17.938 9.388 -25.620 1.00 0.00 N ATOM 771 CA ASN A 54 -18.056 7.980 -25.982 1.00 0.00 C ATOM 772 C ASN A 54 -19.486 7.492 -25.768 1.00 0.00 C ATOM 773 O ASN A 54 -19.707 6.364 -25.327 1.00 0.00 O ATOM 774 CB ASN A 54 -17.093 7.143 -25.137 1.00 0.00 C ATOM 775 CG ASN A 54 -16.847 5.793 -25.805 1.00 0.00 C ATOM 776 OD1 ASN A 54 -17.371 4.773 -25.360 1.00 0.00 O ATOM 777 ND2 ASN A 54 -16.076 5.728 -26.857 1.00 0.00 N ATOM 0 H ASN A 54 -18.755 9.776 -25.148 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.802 7.869 -27.036 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.149 7.674 -25.014 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.507 6.994 -24.140 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.907 4.830 -27.311 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.642 6.575 -27.225 1.00 0.00 H new ATOM 784 N ASP A 55 -20.451 8.349 -26.083 1.00 0.00 N ATOM 785 CA ASP A 55 -21.856 7.996 -25.922 1.00 0.00 C ATOM 786 C ASP A 55 -22.118 7.451 -24.521 1.00 0.00 C ATOM 787 O ASP A 55 -23.205 6.951 -24.233 1.00 0.00 O ATOM 788 CB ASP A 55 -22.251 6.949 -26.967 1.00 0.00 C ATOM 789 CG ASP A 55 -21.507 7.211 -28.273 1.00 0.00 C ATOM 790 OD1 ASP A 55 -21.201 8.362 -28.537 1.00 0.00 O ATOM 791 OD2 ASP A 55 -21.254 6.256 -28.989 1.00 0.00 O ATOM 0 H ASP A 55 -20.288 9.287 -26.449 1.00 0.00 H new ATOM 0 HA ASP A 55 -22.457 8.894 -26.063 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -22.017 5.950 -26.600 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -23.327 6.982 -27.139 1.00 0.00 H new ATOM 796 N GLY A 56 -21.116 7.554 -23.653 1.00 0.00 N ATOM 797 CA GLY A 56 -21.250 7.069 -22.284 1.00 0.00 C ATOM 798 C GLY A 56 -21.448 5.559 -22.254 1.00 0.00 C ATOM 799 O GLY A 56 -21.477 4.948 -21.187 1.00 0.00 O ATOM 0 H GLY A 56 -20.209 7.966 -23.871 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -20.360 7.334 -21.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -22.096 7.559 -21.802 1.00 0.00 H new ATOM 803 N THR A 57 -21.587 4.964 -23.433 1.00 0.00 N ATOM 804 CA THR A 57 -21.785 3.523 -23.533 1.00 0.00 C ATOM 805 C THR A 57 -22.737 3.033 -22.449 1.00 0.00 C ATOM 806 O THR A 57 -22.420 2.111 -21.699 1.00 0.00 O ATOM 807 CB THR A 57 -20.445 2.801 -23.403 1.00 0.00 C ATOM 808 OG1 THR A 57 -20.113 2.664 -22.029 1.00 0.00 O ATOM 809 CG2 THR A 57 -19.359 3.607 -24.117 1.00 0.00 C ATOM 0 H THR A 57 -21.566 5.453 -24.328 1.00 0.00 H new ATOM 0 HA THR A 57 -22.222 3.304 -24.507 1.00 0.00 H new ATOM 0 HB THR A 57 -20.518 1.813 -23.858 1.00 0.00 H new ATOM 0 HG1 THR A 57 -20.740 2.044 -21.601 1.00 0.00 H new ATOM 0 HG21 THR A 57 -18.403 3.092 -24.024 1.00 0.00 H new ATOM 0 HG22 THR A 57 -19.615 3.709 -25.172 1.00 0.00 H new ATOM 0 HG23 THR A 57 -19.283 4.596 -23.665 1.00 0.00 H new ATOM 817 N ARG A 58 -23.903 3.660 -22.375 1.00 0.00 N ATOM 818 CA ARG A 58 -24.903 3.289 -21.381 1.00 0.00 C ATOM 819 C ARG A 58 -25.741 2.112 -21.882 1.00 0.00 C ATOM 820 O ARG A 58 -25.992 1.989 -23.082 1.00 0.00 O ATOM 821 CB ARG A 58 -25.815 4.484 -21.093 1.00 0.00 C ATOM 822 CG ARG A 58 -24.978 5.647 -20.557 1.00 0.00 C ATOM 823 CD ARG A 58 -25.901 6.778 -20.102 1.00 0.00 C ATOM 824 NE ARG A 58 -26.507 6.449 -18.817 1.00 0.00 N ATOM 825 CZ ARG A 58 -26.966 7.399 -18.008 1.00 0.00 C ATOM 826 NH1 ARG A 58 -26.875 8.653 -18.358 1.00 0.00 N ATOM 827 NH2 ARG A 58 -27.504 7.078 -16.864 1.00 0.00 N ATOM 0 H ARG A 58 -24.180 4.426 -22.989 1.00 0.00 H new ATOM 0 HA ARG A 58 -24.392 2.993 -20.465 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -26.335 4.785 -22.002 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -26.578 4.206 -20.366 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -24.361 5.310 -19.724 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -24.300 6.007 -21.331 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -25.336 7.707 -20.019 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -26.679 6.944 -20.847 1.00 0.00 H new ATOM 0 HE ARG A 58 -26.580 5.472 -18.534 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -26.452 8.904 -19.252 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -27.227 9.382 -17.738 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -27.573 6.098 -16.590 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -27.856 7.807 -16.244 1.00 0.00 H new ATOM 841 N PRO A 59 -26.176 1.251 -20.996 1.00 0.00 N ATOM 842 CA PRO A 59 -27.003 0.064 -21.370 1.00 0.00 C ATOM 843 C PRO A 59 -28.396 0.467 -21.854 1.00 0.00 C ATOM 844 O PRO A 59 -28.729 1.651 -21.899 1.00 0.00 O ATOM 845 CB PRO A 59 -27.084 -0.750 -20.073 1.00 0.00 C ATOM 846 CG PRO A 59 -26.865 0.240 -18.976 1.00 0.00 C ATOM 847 CD PRO A 59 -25.932 1.309 -19.545 1.00 0.00 C ATOM 0 HA PRO A 59 -26.567 -0.496 -22.198 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -28.053 -1.239 -19.975 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -26.328 -1.535 -20.052 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -27.809 0.679 -18.654 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -26.422 -0.239 -18.103 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -26.159 2.295 -19.140 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -24.890 1.099 -19.306 1.00 0.00 H new ATOM 855 N LYS A 60 -29.202 -0.526 -22.215 1.00 0.00 N ATOM 856 CA LYS A 60 -30.554 -0.264 -22.695 1.00 0.00 C ATOM 857 C LYS A 60 -31.450 -1.477 -22.463 1.00 0.00 C ATOM 858 O LYS A 60 -30.975 -2.549 -22.088 1.00 0.00 O ATOM 859 CB LYS A 60 -30.522 0.072 -24.187 1.00 0.00 C ATOM 860 CG LYS A 60 -30.110 -1.169 -24.982 1.00 0.00 C ATOM 861 CD LYS A 60 -29.769 -0.767 -26.418 1.00 0.00 C ATOM 862 CE LYS A 60 -29.624 -2.022 -27.279 1.00 0.00 C ATOM 863 NZ LYS A 60 -28.831 -3.043 -26.538 1.00 0.00 N ATOM 0 H LYS A 60 -28.945 -1.513 -22.185 1.00 0.00 H new ATOM 0 HA LYS A 60 -30.959 0.583 -22.141 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -31.503 0.417 -24.514 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -29.820 0.885 -24.372 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -29.249 -1.645 -24.513 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -30.919 -1.900 -24.980 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -30.551 -0.124 -26.822 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.843 -0.192 -26.436 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -30.607 -2.420 -27.529 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.132 -1.776 -28.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -28.402 -3.707 -27.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -28.081 -2.572 -25.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -29.455 -3.564 -25.889 1.00 0.00 H new ATOM 877 N MET A 61 -32.748 -1.301 -22.689 1.00 0.00 N ATOM 878 CA MET A 61 -33.703 -2.388 -22.502 1.00 0.00 C ATOM 879 C MET A 61 -33.706 -3.314 -23.715 1.00 0.00 C ATOM 880 O MET A 61 -34.131 -2.924 -24.803 1.00 0.00 O ATOM 881 CB MET A 61 -35.106 -1.820 -22.288 1.00 0.00 C ATOM 882 CG MET A 61 -35.199 -1.196 -20.895 1.00 0.00 C ATOM 883 SD MET A 61 -34.063 0.210 -20.786 1.00 0.00 S ATOM 884 CE MET A 61 -35.225 1.483 -21.337 1.00 0.00 C ATOM 0 H MET A 61 -33.161 -0.422 -23.000 1.00 0.00 H new ATOM 0 HA MET A 61 -33.405 -2.960 -21.623 1.00 0.00 H new ATOM 0 HB2 MET A 61 -35.326 -1.071 -23.049 1.00 0.00 H new ATOM 0 HB3 MET A 61 -35.849 -2.610 -22.394 1.00 0.00 H new ATOM 0 HG2 MET A 61 -36.220 -0.868 -20.699 1.00 0.00 H new ATOM 0 HG3 MET A 61 -34.951 -1.937 -20.135 1.00 0.00 H new ATOM 0 HE1 MET A 61 -34.726 2.452 -21.346 1.00 0.00 H new ATOM 0 HE2 MET A 61 -35.575 1.246 -22.342 1.00 0.00 H new ATOM 0 HE3 MET A 61 -36.075 1.519 -20.656 1.00 0.00 H new ATOM 894 N THR A 62 -33.231 -4.539 -23.521 1.00 0.00 N ATOM 895 CA THR A 62 -33.186 -5.512 -24.607 1.00 0.00 C ATOM 896 C THR A 62 -34.567 -6.135 -24.820 1.00 0.00 C ATOM 897 O THR A 62 -35.335 -6.286 -23.872 1.00 0.00 O ATOM 898 CB THR A 62 -32.172 -6.611 -24.278 1.00 0.00 C ATOM 899 OG1 THR A 62 -32.797 -7.606 -23.480 1.00 0.00 O ATOM 900 CG2 THR A 62 -30.994 -6.007 -23.512 1.00 0.00 C ATOM 0 H THR A 62 -32.874 -4.881 -22.629 1.00 0.00 H new ATOM 0 HA THR A 62 -32.884 -5.001 -25.521 1.00 0.00 H new ATOM 0 HB THR A 62 -31.810 -7.061 -25.203 1.00 0.00 H new ATOM 0 HG1 THR A 62 -32.150 -8.311 -23.270 1.00 0.00 H new ATOM 0 HG21 THR A 62 -30.272 -6.790 -23.278 1.00 0.00 H new ATOM 0 HG22 THR A 62 -30.515 -5.243 -24.125 1.00 0.00 H new ATOM 0 HG23 THR A 62 -31.354 -5.557 -22.587 1.00 0.00 H new ATOM 908 N PRO A 63 -34.894 -6.499 -26.036 1.00 0.00 N ATOM 909 CA PRO A 63 -36.209 -7.116 -26.360 1.00 0.00 C ATOM 910 C PRO A 63 -36.678 -8.081 -25.273 1.00 0.00 C ATOM 911 O PRO A 63 -37.859 -8.114 -24.925 1.00 0.00 O ATOM 912 CB PRO A 63 -35.932 -7.854 -27.669 1.00 0.00 C ATOM 913 CG PRO A 63 -34.854 -7.063 -28.344 1.00 0.00 C ATOM 914 CD PRO A 63 -34.052 -6.363 -27.238 1.00 0.00 C ATOM 0 HA PRO A 63 -37.008 -6.378 -26.437 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -35.611 -8.879 -27.483 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -36.828 -7.908 -28.288 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -34.210 -7.715 -28.934 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -35.283 -6.333 -29.030 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -33.078 -6.831 -27.096 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -33.871 -5.316 -27.480 1.00 0.00 H new ATOM 922 N GLU A 64 -35.745 -8.862 -24.739 1.00 0.00 N ATOM 923 CA GLU A 64 -36.073 -9.824 -23.693 1.00 0.00 C ATOM 924 C GLU A 64 -36.583 -9.108 -22.446 1.00 0.00 C ATOM 925 O GLU A 64 -37.576 -9.521 -21.845 1.00 0.00 O ATOM 926 CB GLU A 64 -34.837 -10.652 -23.339 1.00 0.00 C ATOM 927 CG GLU A 64 -35.229 -11.771 -22.373 1.00 0.00 C ATOM 928 CD GLU A 64 -34.034 -12.685 -22.121 1.00 0.00 C ATOM 929 OE1 GLU A 64 -32.956 -12.166 -21.885 1.00 0.00 O ATOM 930 OE2 GLU A 64 -34.215 -13.890 -22.170 1.00 0.00 O ATOM 0 H GLU A 64 -34.762 -8.848 -25.011 1.00 0.00 H new ATOM 0 HA GLU A 64 -36.857 -10.483 -24.065 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -34.399 -11.075 -24.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -34.078 -10.015 -22.885 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -35.576 -11.345 -21.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -36.057 -12.347 -22.787 1.00 0.00 H new ATOM 937 N GLN A 65 -35.899 -8.037 -22.062 1.00 0.00 N ATOM 938 CA GLN A 65 -36.294 -7.273 -20.884 1.00 0.00 C ATOM 939 C GLN A 65 -37.722 -6.760 -21.033 1.00 0.00 C ATOM 940 O GLN A 65 -38.623 -7.186 -20.310 1.00 0.00 O ATOM 941 CB GLN A 65 -35.343 -6.090 -20.684 1.00 0.00 C ATOM 942 CG GLN A 65 -33.988 -6.601 -20.188 1.00 0.00 C ATOM 943 CD GLN A 65 -33.075 -5.424 -19.861 1.00 0.00 C ATOM 944 OE1 GLN A 65 -31.884 -5.457 -20.167 1.00 0.00 O ATOM 945 NE2 GLN A 65 -33.567 -4.379 -19.253 1.00 0.00 N ATOM 0 H GLN A 65 -35.074 -7.680 -22.544 1.00 0.00 H new ATOM 0 HA GLN A 65 -36.244 -7.929 -20.015 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -35.218 -5.548 -21.621 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -35.765 -5.389 -19.964 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -34.126 -7.222 -19.303 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -33.526 -7.230 -20.949 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -34.555 -4.354 -19.000 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -32.964 -3.587 -19.031 1.00 0.00 H new ATOM 954 N MET A 66 -37.921 -5.845 -21.976 1.00 0.00 N ATOM 955 CA MET A 66 -39.246 -5.282 -22.211 1.00 0.00 C ATOM 956 C MET A 66 -40.276 -6.392 -22.389 1.00 0.00 C ATOM 957 O MET A 66 -41.406 -6.287 -21.911 1.00 0.00 O ATOM 958 CB MET A 66 -39.223 -4.398 -23.460 1.00 0.00 C ATOM 959 CG MET A 66 -38.726 -5.213 -24.655 1.00 0.00 C ATOM 960 SD MET A 66 -38.442 -4.111 -26.062 1.00 0.00 S ATOM 961 CE MET A 66 -40.114 -4.186 -26.750 1.00 0.00 C ATOM 0 H MET A 66 -37.189 -5.480 -22.585 1.00 0.00 H new ATOM 0 HA MET A 66 -39.524 -4.681 -21.345 1.00 0.00 H new ATOM 0 HB2 MET A 66 -40.221 -4.010 -23.662 1.00 0.00 H new ATOM 0 HB3 MET A 66 -38.573 -3.538 -23.298 1.00 0.00 H new ATOM 0 HG2 MET A 66 -37.804 -5.734 -24.395 1.00 0.00 H new ATOM 0 HG3 MET A 66 -39.459 -5.975 -24.919 1.00 0.00 H new ATOM 0 HE1 MET A 66 -40.168 -3.565 -27.644 1.00 0.00 H new ATOM 0 HE2 MET A 66 -40.355 -5.217 -27.009 1.00 0.00 H new ATOM 0 HE3 MET A 66 -40.828 -3.821 -26.012 1.00 0.00 H new ATOM 971 N ALA A 67 -39.879 -7.457 -23.079 1.00 0.00 N ATOM 972 CA ALA A 67 -40.777 -8.583 -23.312 1.00 0.00 C ATOM 973 C ALA A 67 -41.196 -9.215 -21.990 1.00 0.00 C ATOM 974 O ALA A 67 -42.385 -9.301 -21.681 1.00 0.00 O ATOM 975 CB ALA A 67 -40.084 -9.631 -24.184 1.00 0.00 C ATOM 0 H ALA A 67 -38.949 -7.564 -23.484 1.00 0.00 H new ATOM 0 HA ALA A 67 -41.666 -8.215 -23.824 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -40.761 -10.468 -24.353 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -39.811 -9.186 -25.141 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -39.185 -9.987 -23.680 1.00 0.00 H new ATOM 981 N LYS A 68 -40.212 -9.654 -21.211 1.00 0.00 N ATOM 982 CA LYS A 68 -40.490 -10.275 -19.922 1.00 0.00 C ATOM 983 C LYS A 68 -41.273 -9.322 -19.026 1.00 0.00 C ATOM 984 O LYS A 68 -42.280 -9.702 -18.428 1.00 0.00 O ATOM 985 CB LYS A 68 -39.179 -10.663 -19.235 1.00 0.00 C ATOM 986 CG LYS A 68 -39.484 -11.421 -17.941 1.00 0.00 C ATOM 987 CD LYS A 68 -38.208 -12.095 -17.431 1.00 0.00 C ATOM 988 CE LYS A 68 -38.490 -12.774 -16.090 1.00 0.00 C ATOM 989 NZ LYS A 68 -39.794 -13.493 -16.162 1.00 0.00 N ATOM 0 H LYS A 68 -39.222 -9.592 -21.448 1.00 0.00 H new ATOM 0 HA LYS A 68 -41.089 -11.170 -20.093 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -38.578 -11.284 -19.899 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -38.593 -9.770 -19.016 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -39.871 -10.735 -17.188 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -40.257 -12.169 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -37.858 -12.830 -18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -37.415 -11.356 -17.317 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -37.690 -13.474 -15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -38.515 -12.032 -15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -39.835 -14.213 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -40.572 -12.815 -16.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -39.886 -13.953 -17.090 1.00 0.00 H new ATOM 1003 N GLU A 69 -40.805 -8.082 -18.937 1.00 0.00 N ATOM 1004 CA GLU A 69 -41.470 -7.080 -18.111 1.00 0.00 C ATOM 1005 C GLU A 69 -42.960 -7.027 -18.431 1.00 0.00 C ATOM 1006 O GLU A 69 -43.801 -7.094 -17.535 1.00 0.00 O ATOM 1007 CB GLU A 69 -40.845 -5.706 -18.350 1.00 0.00 C ATOM 1008 CG GLU A 69 -39.448 -5.663 -17.727 1.00 0.00 C ATOM 1009 CD GLU A 69 -39.557 -5.639 -16.206 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -39.654 -4.554 -15.656 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -39.541 -6.706 -15.614 1.00 0.00 O ATOM 0 H GLU A 69 -39.973 -7.748 -19.423 1.00 0.00 H new ATOM 0 HA GLU A 69 -41.344 -7.357 -17.064 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -40.784 -5.504 -19.419 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -41.473 -4.929 -17.914 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -38.872 -6.532 -18.045 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -38.912 -4.780 -18.076 1.00 0.00 H new ATOM 1018 N MET A 70 -43.279 -6.909 -19.716 1.00 0.00 N ATOM 1019 CA MET A 70 -44.673 -6.847 -20.144 1.00 0.00 C ATOM 1020 C MET A 70 -45.415 -8.113 -19.728 1.00 0.00 C ATOM 1021 O MET A 70 -46.365 -8.059 -18.946 1.00 0.00 O ATOM 1022 CB MET A 70 -44.746 -6.686 -21.663 1.00 0.00 C ATOM 1023 CG MET A 70 -44.322 -5.268 -22.047 1.00 0.00 C ATOM 1024 SD MET A 70 -45.628 -4.102 -21.586 1.00 0.00 S ATOM 1025 CE MET A 70 -44.565 -2.661 -21.328 1.00 0.00 C ATOM 0 H MET A 70 -42.598 -6.855 -20.474 1.00 0.00 H new ATOM 0 HA MET A 70 -45.144 -5.988 -19.666 1.00 0.00 H new ATOM 0 HB2 MET A 70 -44.097 -7.415 -22.148 1.00 0.00 H new ATOM 0 HB3 MET A 70 -45.760 -6.881 -22.012 1.00 0.00 H new ATOM 0 HG2 MET A 70 -43.392 -5.006 -21.543 1.00 0.00 H new ATOM 0 HG3 MET A 70 -44.131 -5.212 -23.119 1.00 0.00 H new ATOM 0 HE1 MET A 70 -45.175 -1.808 -21.031 1.00 0.00 H new ATOM 0 HE2 MET A 70 -43.840 -2.879 -20.544 1.00 0.00 H new ATOM 0 HE3 MET A 70 -44.039 -2.426 -22.253 1.00 0.00 H new ATOM 1035 N SER A 71 -44.976 -9.252 -20.255 1.00 0.00 N ATOM 1036 CA SER A 71 -45.608 -10.526 -19.930 1.00 0.00 C ATOM 1037 C SER A 71 -45.808 -10.655 -18.424 1.00 0.00 C ATOM 1038 O SER A 71 -46.744 -11.310 -17.966 1.00 0.00 O ATOM 1039 CB SER A 71 -44.741 -11.681 -20.433 1.00 0.00 C ATOM 1040 OG SER A 71 -44.321 -11.407 -21.763 1.00 0.00 O ATOM 0 H SER A 71 -44.192 -9.319 -20.904 1.00 0.00 H new ATOM 0 HA SER A 71 -46.582 -10.563 -20.419 1.00 0.00 H new ATOM 0 HB2 SER A 71 -43.874 -11.810 -19.785 1.00 0.00 H new ATOM 0 HB3 SER A 71 -45.304 -12.614 -20.402 1.00 0.00 H new ATOM 0 HG SER A 71 -43.549 -10.804 -21.745 1.00 0.00 H new ATOM 1046 N GLU A 72 -44.920 -10.029 -17.658 1.00 0.00 N ATOM 1047 CA GLU A 72 -45.008 -10.081 -16.204 1.00 0.00 C ATOM 1048 C GLU A 72 -46.089 -9.131 -15.697 1.00 0.00 C ATOM 1049 O GLU A 72 -46.852 -9.470 -14.793 1.00 0.00 O ATOM 1050 CB GLU A 72 -43.661 -9.701 -15.586 1.00 0.00 C ATOM 1051 CG GLU A 72 -43.654 -10.077 -14.103 1.00 0.00 C ATOM 1052 CD GLU A 72 -42.399 -9.529 -13.433 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -41.645 -8.842 -14.102 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -42.209 -9.805 -12.259 1.00 0.00 O ATOM 0 H GLU A 72 -44.137 -9.484 -18.017 1.00 0.00 H new ATOM 0 HA GLU A 72 -45.269 -11.098 -15.911 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -42.853 -10.215 -16.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -43.485 -8.632 -15.702 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -44.542 -9.677 -13.614 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -43.691 -11.161 -13.994 1.00 0.00 H new ATOM 1061 N PHE A 73 -46.146 -7.940 -16.284 1.00 0.00 N ATOM 1062 CA PHE A 73 -47.138 -6.949 -15.883 1.00 0.00 C ATOM 1063 C PHE A 73 -48.528 -7.362 -16.356 1.00 0.00 C ATOM 1064 O PHE A 73 -49.470 -7.425 -15.565 1.00 0.00 O ATOM 1065 CB PHE A 73 -46.779 -5.583 -16.474 1.00 0.00 C ATOM 1066 CG PHE A 73 -47.575 -4.505 -15.775 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -48.921 -4.304 -16.104 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -46.966 -3.708 -14.798 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -49.657 -3.305 -15.456 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -47.703 -2.710 -14.150 1.00 0.00 C ATOM 1071 CZ PHE A 73 -49.049 -2.508 -14.479 1.00 0.00 C ATOM 0 H PHE A 73 -45.522 -7.639 -17.033 1.00 0.00 H new ATOM 0 HA PHE A 73 -47.142 -6.884 -14.795 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -45.712 -5.394 -16.358 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -46.991 -5.571 -17.543 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -49.391 -4.919 -16.857 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -45.928 -3.863 -14.544 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -50.695 -3.149 -15.710 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -47.233 -2.096 -13.396 1.00 0.00 H new ATOM 0 HZ PHE A 73 -49.618 -1.738 -13.979 1.00 0.00 H new ATOM 1081 N LEU A 74 -48.650 -7.641 -17.650 1.00 0.00 N ATOM 1082 CA LEU A 74 -49.931 -8.047 -18.216 1.00 0.00 C ATOM 1083 C LEU A 74 -50.399 -9.359 -17.594 1.00 0.00 C ATOM 1084 O LEU A 74 -51.527 -9.797 -17.821 1.00 0.00 O ATOM 1085 CB LEU A 74 -49.805 -8.216 -19.732 1.00 0.00 C ATOM 1086 CG LEU A 74 -49.121 -6.987 -20.335 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -48.916 -7.203 -21.835 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -49.998 -5.750 -20.113 1.00 0.00 C ATOM 0 H LEU A 74 -47.884 -7.594 -18.322 1.00 0.00 H new ATOM 0 HA LEU A 74 -50.665 -7.271 -17.998 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -49.229 -9.113 -19.961 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -50.792 -8.349 -20.176 1.00 0.00 H new ATOM 0 HG LEU A 74 -48.155 -6.837 -19.853 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -48.429 -6.328 -22.265 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -48.291 -8.081 -21.994 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -49.882 -7.354 -22.316 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -49.509 -4.876 -20.543 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -50.965 -5.898 -20.594 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -50.144 -5.595 -19.044 1.00 0.00 H new ATOM 1100 N SER A 75 -49.525 -9.981 -16.811 1.00 0.00 N ATOM 1101 CA SER A 75 -49.859 -11.243 -16.162 1.00 0.00 C ATOM 1102 C SER A 75 -51.199 -11.136 -15.439 1.00 0.00 C ATOM 1103 O SER A 75 -51.867 -10.104 -15.500 1.00 0.00 O ATOM 1104 CB SER A 75 -48.767 -11.622 -15.162 1.00 0.00 C ATOM 1105 OG SER A 75 -48.889 -10.807 -14.002 1.00 0.00 O ATOM 0 H SER A 75 -48.586 -9.635 -16.611 1.00 0.00 H new ATOM 0 HA SER A 75 -49.933 -12.015 -16.928 1.00 0.00 H new ATOM 0 HB2 SER A 75 -48.854 -12.674 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 75 -47.783 -11.489 -15.612 1.00 0.00 H new ATOM 0 HG SER A 75 -48.059 -10.305 -13.866 1.00 0.00 H new ATOM 1111 N ARG A 76 -51.585 -12.210 -14.755 1.00 0.00 N ATOM 1112 CA ARG A 76 -52.848 -12.228 -14.022 1.00 0.00 C ATOM 1113 C ARG A 76 -52.667 -12.890 -12.660 1.00 0.00 C ATOM 1114 O ARG A 76 -52.587 -14.115 -12.561 1.00 0.00 O ATOM 1115 CB ARG A 76 -53.905 -12.989 -14.824 1.00 0.00 C ATOM 1116 CG ARG A 76 -54.184 -12.251 -16.135 1.00 0.00 C ATOM 1117 CD ARG A 76 -55.240 -13.015 -16.935 1.00 0.00 C ATOM 1118 NE ARG A 76 -55.602 -12.268 -18.134 1.00 0.00 N ATOM 1119 CZ ARG A 76 -56.489 -12.748 -19.001 1.00 0.00 C ATOM 1120 NH1 ARG A 76 -57.050 -13.906 -18.786 1.00 0.00 N ATOM 1121 NH2 ARG A 76 -56.797 -12.062 -20.067 1.00 0.00 N ATOM 0 H ARG A 76 -51.046 -13.074 -14.693 1.00 0.00 H new ATOM 0 HA ARG A 76 -53.175 -11.199 -13.873 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -53.559 -14.002 -15.031 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -54.823 -13.078 -14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -54.531 -11.239 -15.928 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -53.266 -12.161 -16.716 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -54.857 -13.997 -17.212 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -56.124 -13.180 -16.319 1.00 0.00 H new ATOM 0 HE ARG A 76 -55.168 -11.362 -18.311 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -56.808 -14.443 -17.953 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -57.730 -14.274 -19.451 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -56.357 -11.157 -20.236 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -57.477 -12.430 -20.732 1.00 0.00 H new ATOM 1135 N GLY A 77 -52.605 -12.073 -11.614 1.00 0.00 N ATOM 1136 CA GLY A 77 -52.433 -12.591 -10.261 1.00 0.00 C ATOM 1137 C GLY A 77 -51.825 -11.533 -9.346 1.00 0.00 C ATOM 1138 O GLY A 77 -52.482 -11.034 -8.434 1.00 0.00 O ATOM 0 H GLY A 77 -52.671 -11.057 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -53.397 -12.910 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -51.790 -13.471 -10.283 1.00 0.00 H new ATOM 1142 N PRO A 78 -50.587 -11.188 -9.579 1.00 0.00 N ATOM 1143 CA PRO A 78 -49.866 -10.166 -8.764 1.00 0.00 C ATOM 1144 C PRO A 78 -50.336 -8.747 -9.076 1.00 0.00 C ATOM 1145 O PRO A 78 -51.187 -8.541 -9.942 1.00 0.00 O ATOM 1146 CB PRO A 78 -48.400 -10.362 -9.162 1.00 0.00 C ATOM 1147 CG PRO A 78 -48.443 -10.923 -10.546 1.00 0.00 C ATOM 1148 CD PRO A 78 -49.736 -11.736 -10.647 1.00 0.00 C ATOM 0 HA PRO A 78 -50.042 -10.289 -7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -47.855 -9.418 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -47.893 -11.042 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -48.428 -10.125 -11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -47.574 -11.552 -10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -50.202 -11.624 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -49.550 -12.800 -10.503 1.00 0.00 H new ATOM 1156 N ALA A 79 -49.777 -7.774 -8.365 1.00 0.00 N ATOM 1157 CA ALA A 79 -50.147 -6.379 -8.575 1.00 0.00 C ATOM 1158 C ALA A 79 -51.664 -6.219 -8.564 1.00 0.00 C ATOM 1159 O ALA A 79 -52.195 -5.863 -7.526 1.00 0.00 O ATOM 1160 CB ALA A 79 -49.589 -5.886 -9.912 1.00 0.00 C ATOM 1161 OXT ALA A 79 -52.272 -6.455 -9.596 1.00 0.00 O ATOM 0 H ALA A 79 -49.071 -7.923 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 79 -49.725 -5.785 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -49.870 -4.843 -10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -48.502 -5.972 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -49.997 -6.491 -10.722 1.00 0.00 H new TER 1167 ALA A 79