USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 398 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 Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.25 K(o=-2.2,f=-6.2!) USER MOD Single : A 23 ASN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -48:sc= 0.922 USER MOD Single : A 32 GLN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.9!) USER MOD Single : A 35 SER OG : rot -91:sc=-0.000158 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.57) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.767 F(o=-2,f=-0.77) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -11.323 9.309 -15.370 1.00 0.00 N ATOM 2 CA ALA A 16 -11.960 8.681 -14.182 1.00 0.00 C ATOM 3 C ALA A 16 -11.936 9.626 -12.985 1.00 0.00 C ATOM 4 O ALA A 16 -10.893 9.832 -12.366 1.00 0.00 O ATOM 5 CB ALA A 16 -11.261 7.376 -13.838 1.00 0.00 C ATOM 0 HA ALA A 16 -13.001 8.470 -14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.737 6.927 -12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.332 6.692 -14.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.212 7.572 -13.617 1.00 0.00 H new ATOM 13 N LYS A 17 -13.093 10.196 -12.664 1.00 0.00 N ATOM 14 CA LYS A 17 -13.205 11.119 -11.541 1.00 0.00 C ATOM 15 C LYS A 17 -14.225 10.618 -10.525 1.00 0.00 C ATOM 16 O LYS A 17 -15.433 10.714 -10.745 1.00 0.00 O ATOM 17 CB LYS A 17 -13.601 12.512 -12.035 1.00 0.00 C ATOM 18 CG LYS A 17 -13.153 13.634 -11.114 1.00 0.00 C ATOM 19 CD LYS A 17 -11.647 13.834 -11.170 1.00 0.00 C ATOM 20 CE LYS A 17 -11.254 14.817 -12.260 1.00 0.00 C ATOM 21 NZ LYS A 17 -11.354 16.232 -11.800 1.00 0.00 N ATOM 0 H LYS A 17 -13.966 10.035 -13.166 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.232 11.178 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.173 12.673 -13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.685 12.555 -12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.655 14.560 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.453 13.408 -10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.291 14.197 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.158 12.876 -11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.233 14.612 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.897 14.672 -13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.077 16.869 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.334 16.437 -11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.721 16.379 -10.988 1.00 0.00 H new ATOM 35 N ARG A 18 -13.733 10.081 -9.414 1.00 0.00 N ATOM 36 CA ARG A 18 -14.603 9.564 -8.363 1.00 0.00 C ATOM 37 C ARG A 18 -13.793 9.156 -7.136 1.00 0.00 C ATOM 38 O ARG A 18 -13.950 9.733 -6.059 1.00 0.00 O ATOM 39 CB ARG A 18 -15.404 8.368 -8.881 1.00 0.00 C ATOM 40 CG ARG A 18 -16.632 8.048 -8.043 1.00 0.00 C ATOM 41 CD ARG A 18 -17.893 8.636 -8.657 1.00 0.00 C ATOM 42 NE ARG A 18 -19.088 7.884 -8.277 1.00 0.00 N ATOM 43 CZ ARG A 18 -19.679 7.983 -7.088 1.00 0.00 C ATOM 44 NH1 ARG A 18 -19.190 8.799 -6.161 1.00 0.00 N ATOM 45 NH2 ARG A 18 -20.762 7.264 -6.825 1.00 0.00 N ATOM 0 H ARG A 18 -12.736 9.992 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.292 10.357 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.716 8.567 -9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.756 7.492 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.740 6.967 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.499 8.441 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -18.001 9.673 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.799 8.643 -9.743 1.00 0.00 H new ATOM 0 HE ARG A 18 -19.492 7.246 -8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.357 9.354 -6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.647 8.871 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.142 6.636 -7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -21.215 7.339 -5.914 1.00 0.00 H new ATOM 59 N GLU A 19 -12.930 8.161 -7.305 1.00 0.00 N ATOM 60 CA GLU A 19 -12.096 7.678 -6.210 1.00 0.00 C ATOM 61 C GLU A 19 -10.640 7.554 -6.647 1.00 0.00 C ATOM 62 O GLU A 19 -10.341 7.497 -7.839 1.00 0.00 O ATOM 63 CB GLU A 19 -12.606 6.324 -5.712 1.00 0.00 C ATOM 64 CG GLU A 19 -14.021 6.372 -5.160 1.00 0.00 C ATOM 65 CD GLU A 19 -14.306 5.245 -4.187 1.00 0.00 C ATOM 66 OE1 GLU A 19 -14.622 4.129 -4.649 1.00 0.00 O ATOM 67 OE2 GLU A 19 -14.214 5.479 -2.963 1.00 0.00 O ATOM 0 H GLU A 19 -12.789 7.673 -8.189 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.153 8.403 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.569 5.607 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.935 5.955 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.180 7.327 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.731 6.322 -5.986 1.00 0.00 H new ATOM 74 N PHE A 20 -9.736 7.513 -5.672 1.00 0.00 N ATOM 75 CA PHE A 20 -8.311 7.397 -5.955 1.00 0.00 C ATOM 76 C PHE A 20 -7.966 5.995 -6.445 1.00 0.00 C ATOM 77 O PHE A 20 -8.847 5.152 -6.618 1.00 0.00 O ATOM 78 CB PHE A 20 -7.491 7.724 -4.704 1.00 0.00 C ATOM 79 CG PHE A 20 -7.873 6.902 -3.506 1.00 0.00 C ATOM 80 CD1 PHE A 20 -7.618 5.540 -3.473 1.00 0.00 C ATOM 81 CD2 PHE A 20 -8.486 7.493 -2.412 1.00 0.00 C ATOM 82 CE1 PHE A 20 -7.968 4.783 -2.371 1.00 0.00 C ATOM 83 CE2 PHE A 20 -8.838 6.741 -1.308 1.00 0.00 C ATOM 84 CZ PHE A 20 -8.579 5.384 -1.288 1.00 0.00 C ATOM 0 H PHE A 20 -9.966 7.558 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.065 8.111 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.434 7.567 -4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.614 8.780 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.141 5.065 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.691 8.553 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.764 3.723 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.315 7.213 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.854 4.794 -0.426 1.00 0.00 H new ATOM 94 N ASN A 21 -6.679 5.753 -6.663 1.00 0.00 N ATOM 95 CA ASN A 21 -6.209 4.454 -7.128 1.00 0.00 C ATOM 96 C ASN A 21 -6.017 3.498 -5.954 1.00 0.00 C ATOM 97 O ASN A 21 -5.385 3.842 -4.958 1.00 0.00 O ATOM 98 CB ASN A 21 -4.899 4.617 -7.900 1.00 0.00 C ATOM 99 CG ASN A 21 -5.072 4.376 -9.387 1.00 0.00 C ATOM 100 OD1 ASN A 21 -5.726 3.420 -9.800 1.00 0.00 O ATOM 101 ND2 ASN A 21 -4.485 5.247 -10.200 1.00 0.00 N ATOM 0 H ASN A 21 -5.940 6.442 -6.525 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.961 4.031 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.509 5.622 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.159 3.921 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.567 5.137 -11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.952 6.026 -9.814 1.00 0.00 H new ATOM 108 N GLU A 22 -6.573 2.296 -6.079 1.00 0.00 N ATOM 109 CA GLU A 22 -6.462 1.291 -5.027 1.00 0.00 C ATOM 110 C GLU A 22 -5.324 0.321 -5.326 1.00 0.00 C ATOM 111 O GLU A 22 -5.377 -0.430 -6.299 1.00 0.00 O ATOM 112 CB GLU A 22 -7.780 0.527 -4.882 1.00 0.00 C ATOM 113 CG GLU A 22 -8.591 0.940 -3.666 1.00 0.00 C ATOM 114 CD GLU A 22 -9.388 -0.208 -3.079 1.00 0.00 C ATOM 115 OE1 GLU A 22 -10.007 -0.962 -3.860 1.00 0.00 O ATOM 116 OE2 GLU A 22 -9.394 -0.355 -1.839 1.00 0.00 O ATOM 0 H GLU A 22 -7.104 1.995 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.244 1.801 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.380 0.681 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.567 -0.540 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.920 1.338 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.271 1.745 -3.944 1.00 0.00 H new ATOM 123 N ASN A 23 -4.293 0.346 -4.486 1.00 0.00 N ATOM 124 CA ASN A 23 -3.139 -0.528 -4.669 1.00 0.00 C ATOM 125 C ASN A 23 -2.521 -0.314 -6.040 1.00 0.00 C ATOM 126 O ASN A 23 -2.065 -1.251 -6.695 1.00 0.00 O ATOM 127 CB ASN A 23 -3.548 -1.982 -4.516 1.00 0.00 C ATOM 128 CG ASN A 23 -3.772 -2.379 -3.070 1.00 0.00 C ATOM 129 OD1 ASN A 23 -3.071 -3.238 -2.534 1.00 0.00 O ATOM 130 ND2 ASN A 23 -4.754 -1.756 -2.429 1.00 0.00 N ATOM 0 H ASN A 23 -4.233 0.960 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.401 -0.282 -3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.462 -2.159 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.776 -2.619 -4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.952 -1.983 -1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.311 -1.050 -2.911 1.00 0.00 H new ATOM 137 N ARG A 24 -2.525 0.933 -6.454 1.00 0.00 N ATOM 138 CA ARG A 24 -1.982 1.329 -7.747 1.00 0.00 C ATOM 139 C ARG A 24 -1.225 2.649 -7.632 1.00 0.00 C ATOM 140 O ARG A 24 -0.130 2.806 -8.170 1.00 0.00 O ATOM 141 CB ARG A 24 -3.120 1.467 -8.761 1.00 0.00 C ATOM 142 CG ARG A 24 -4.032 0.251 -8.813 1.00 0.00 C ATOM 143 CD ARG A 24 -4.346 -0.159 -10.244 1.00 0.00 C ATOM 144 NE ARG A 24 -5.784 -0.296 -10.470 1.00 0.00 N ATOM 145 CZ ARG A 24 -6.526 0.582 -11.145 1.00 0.00 C ATOM 146 NH1 ARG A 24 -5.976 1.672 -11.669 1.00 0.00 N ATOM 147 NH2 ARG A 24 -7.826 0.370 -11.295 1.00 0.00 N ATOM 0 H ARG A 24 -2.904 1.707 -5.908 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.285 0.561 -8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.713 2.347 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.696 1.637 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.558 -0.581 -8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.960 0.470 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.940 0.583 -10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.852 -1.105 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.250 -1.118 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.977 1.843 -11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.553 2.337 -12.184 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.256 -0.463 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.396 1.040 -11.811 1.00 0.00 H new ATOM 161 N TYR A 25 -1.834 3.592 -6.926 1.00 0.00 N ATOM 162 CA TYR A 25 -1.259 4.916 -6.719 1.00 0.00 C ATOM 163 C TYR A 25 0.152 4.844 -6.143 1.00 0.00 C ATOM 164 O TYR A 25 1.059 5.534 -6.610 1.00 0.00 O ATOM 165 CB TYR A 25 -2.151 5.720 -5.770 1.00 0.00 C ATOM 166 CG TYR A 25 -2.211 5.146 -4.367 1.00 0.00 C ATOM 167 CD1 TYR A 25 -2.804 3.912 -4.124 1.00 0.00 C ATOM 168 CD2 TYR A 25 -1.668 5.834 -3.288 1.00 0.00 C ATOM 169 CE1 TYR A 25 -2.856 3.383 -2.850 1.00 0.00 C ATOM 170 CE2 TYR A 25 -1.716 5.309 -2.009 1.00 0.00 C ATOM 171 CZ TYR A 25 -2.310 4.084 -1.796 1.00 0.00 C ATOM 172 OH TYR A 25 -2.361 3.559 -0.524 1.00 0.00 O ATOM 0 H TYR A 25 -2.742 3.461 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.200 5.405 -7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.784 6.745 -5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.160 5.763 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.231 3.358 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.201 6.794 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.322 2.424 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.290 5.857 -1.181 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.931 4.177 0.103 1.00 0.00 H new ATOM 182 N LEU A 26 0.322 4.032 -5.107 1.00 0.00 N ATOM 183 CA LEU A 26 1.613 3.901 -4.444 1.00 0.00 C ATOM 184 C LEU A 26 2.067 2.444 -4.391 1.00 0.00 C ATOM 185 O LEU A 26 3.242 2.144 -4.588 1.00 0.00 O ATOM 186 CB LEU A 26 1.510 4.489 -3.029 1.00 0.00 C ATOM 187 CG LEU A 26 2.306 3.770 -1.934 1.00 0.00 C ATOM 188 CD1 LEU A 26 2.537 4.698 -0.752 1.00 0.00 C ATOM 189 CD2 LEU A 26 1.580 2.505 -1.488 1.00 0.00 C ATOM 0 H LEU A 26 -0.418 3.454 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 26 2.361 4.450 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.840 5.527 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.460 4.498 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 26 3.275 3.483 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.103 4.173 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.097 5.574 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.577 5.013 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.160 2.008 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.598 2.768 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.463 1.834 -2.339 1.00 0.00 H new ATOM 201 N THR A 27 1.128 1.549 -4.106 1.00 0.00 N ATOM 202 CA THR A 27 1.422 0.122 -4.005 1.00 0.00 C ATOM 203 C THR A 27 2.349 -0.351 -5.129 1.00 0.00 C ATOM 204 O THR A 27 3.348 -1.023 -4.876 1.00 0.00 O ATOM 205 CB THR A 27 0.111 -0.675 -4.018 1.00 0.00 C ATOM 206 OG1 THR A 27 -0.415 -0.788 -2.708 1.00 0.00 O ATOM 207 CG2 THR A 27 0.242 -2.076 -4.580 1.00 0.00 C ATOM 0 H THR A 27 0.150 1.787 -3.940 1.00 0.00 H new ATOM 0 HA THR A 27 1.945 -0.051 -3.064 1.00 0.00 H new ATOM 0 HB THR A 27 -0.552 -0.110 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.294 -1.071 -2.094 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.729 -2.571 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.594 -2.023 -5.610 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.955 -2.643 -3.981 1.00 0.00 H new ATOM 215 N GLU A 28 2.004 -0.008 -6.367 1.00 0.00 N ATOM 216 CA GLU A 28 2.798 -0.414 -7.524 1.00 0.00 C ATOM 217 C GLU A 28 4.218 0.149 -7.468 1.00 0.00 C ATOM 218 O GLU A 28 5.193 -0.595 -7.581 1.00 0.00 O ATOM 219 CB GLU A 28 2.114 0.035 -8.817 1.00 0.00 C ATOM 220 CG GLU A 28 1.155 -0.996 -9.388 1.00 0.00 C ATOM 221 CD GLU A 28 1.849 -2.287 -9.776 1.00 0.00 C ATOM 222 OE1 GLU A 28 2.807 -2.230 -10.574 1.00 0.00 O ATOM 223 OE2 GLU A 28 1.433 -3.356 -9.280 1.00 0.00 O ATOM 0 H GLU A 28 1.181 0.550 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 28 2.869 -1.502 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.569 0.960 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.877 0.261 -9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.380 -1.212 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.657 -0.578 -10.263 1.00 0.00 H new ATOM 230 N ARG A 29 4.330 1.463 -7.308 1.00 0.00 N ATOM 231 CA ARG A 29 5.635 2.119 -7.254 1.00 0.00 C ATOM 232 C ARG A 29 6.418 1.695 -6.014 1.00 0.00 C ATOM 233 O ARG A 29 7.626 1.466 -6.079 1.00 0.00 O ATOM 234 CB ARG A 29 5.463 3.639 -7.267 1.00 0.00 C ATOM 235 CG ARG A 29 5.547 4.248 -8.657 1.00 0.00 C ATOM 236 CD ARG A 29 6.202 5.619 -8.625 1.00 0.00 C ATOM 237 NE ARG A 29 7.630 5.537 -8.327 1.00 0.00 N ATOM 238 CZ ARG A 29 8.358 6.564 -7.896 1.00 0.00 C ATOM 239 NH1 ARG A 29 7.798 7.753 -7.712 1.00 0.00 N ATOM 240 NH2 ARG A 29 9.651 6.403 -7.648 1.00 0.00 N ATOM 0 H ARG A 29 3.535 2.096 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 29 6.200 1.812 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.498 3.891 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.229 4.089 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.115 3.587 -9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.546 4.332 -9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.060 6.111 -9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.710 6.238 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 29 8.096 4.639 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.804 7.883 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.361 8.536 -7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.087 5.492 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.209 7.190 -7.318 1.00 0.00 H new ATOM 254 N ARG A 30 5.724 1.604 -4.888 1.00 0.00 N ATOM 255 CA ARG A 30 6.351 1.219 -3.628 1.00 0.00 C ATOM 256 C ARG A 30 6.653 -0.275 -3.584 1.00 0.00 C ATOM 257 O ARG A 30 7.523 -0.714 -2.836 1.00 0.00 O ATOM 258 CB ARG A 30 5.447 1.598 -2.454 1.00 0.00 C ATOM 259 CG ARG A 30 6.206 2.136 -1.252 1.00 0.00 C ATOM 260 CD ARG A 30 6.185 3.656 -1.215 1.00 0.00 C ATOM 261 NE ARG A 30 6.886 4.239 -2.358 1.00 0.00 N ATOM 262 CZ ARG A 30 6.700 5.486 -2.785 1.00 0.00 C ATOM 263 NH1 ARG A 30 5.840 6.286 -2.167 1.00 0.00 N ATOM 264 NH2 ARG A 30 7.377 5.935 -3.833 1.00 0.00 N ATOM 0 H ARG A 30 4.724 1.792 -4.820 1.00 0.00 H new ATOM 0 HA ARG A 30 7.296 1.757 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.730 2.348 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.874 0.722 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.765 1.743 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.238 1.786 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.152 4.005 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.647 4.003 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 30 7.557 3.656 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.317 5.946 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.702 7.240 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.040 5.325 -4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.235 6.890 -4.161 1.00 0.00 H new ATOM 278 N ARG A 31 5.929 -1.055 -4.380 1.00 0.00 N ATOM 279 CA ARG A 31 6.126 -2.499 -4.412 1.00 0.00 C ATOM 280 C ARG A 31 7.562 -2.845 -4.786 1.00 0.00 C ATOM 281 O ARG A 31 8.170 -3.741 -4.198 1.00 0.00 O ATOM 282 CB ARG A 31 5.159 -3.148 -5.406 1.00 0.00 C ATOM 283 CG ARG A 31 4.099 -4.013 -4.748 1.00 0.00 C ATOM 284 CD ARG A 31 2.823 -4.058 -5.573 1.00 0.00 C ATOM 285 NE ARG A 31 2.953 -4.940 -6.731 1.00 0.00 N ATOM 286 CZ ARG A 31 1.918 -5.452 -7.392 1.00 0.00 C ATOM 287 NH1 ARG A 31 0.676 -5.172 -7.016 1.00 0.00 N ATOM 288 NH2 ARG A 31 2.125 -6.247 -8.433 1.00 0.00 N ATOM 0 H ARG A 31 5.203 -0.713 -5.009 1.00 0.00 H new ATOM 0 HA ARG A 31 5.925 -2.888 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.669 -2.366 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.728 -3.757 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.484 -5.024 -4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.877 -3.625 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.998 -4.399 -4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.573 -3.052 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 31 3.892 -5.177 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.511 -4.561 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.113 -5.568 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.077 -6.466 -8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.332 -6.640 -8.940 1.00 0.00 H new ATOM 302 N GLN A 32 8.096 -2.133 -5.767 1.00 0.00 N ATOM 303 CA GLN A 32 9.461 -2.366 -6.225 1.00 0.00 C ATOM 304 C GLN A 32 10.471 -1.989 -5.146 1.00 0.00 C ATOM 305 O GLN A 32 11.462 -2.687 -4.938 1.00 0.00 O ATOM 306 CB GLN A 32 9.736 -1.568 -7.501 1.00 0.00 C ATOM 307 CG GLN A 32 9.555 -2.379 -8.775 1.00 0.00 C ATOM 308 CD GLN A 32 10.719 -2.223 -9.736 1.00 0.00 C ATOM 309 OE1 GLN A 32 11.251 -3.208 -10.249 1.00 0.00 O ATOM 310 NE2 GLN A 32 11.119 -0.982 -9.985 1.00 0.00 N ATOM 0 H GLN A 32 7.606 -1.388 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 32 9.569 -3.429 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.070 -0.706 -7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.755 -1.183 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.440 -3.432 -8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.635 -2.069 -9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.649 -0.195 -9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.896 -0.815 -10.624 1.00 0.00 H new ATOM 319 N GLN A 33 10.215 -0.877 -4.466 1.00 0.00 N ATOM 320 CA GLN A 33 11.104 -0.401 -3.414 1.00 0.00 C ATOM 321 C GLN A 33 10.954 -1.224 -2.138 1.00 0.00 C ATOM 322 O GLN A 33 11.945 -1.574 -1.498 1.00 0.00 O ATOM 323 CB GLN A 33 10.832 1.075 -3.118 1.00 0.00 C ATOM 324 CG GLN A 33 10.896 1.965 -4.348 1.00 0.00 C ATOM 325 CD GLN A 33 12.114 2.868 -4.354 1.00 0.00 C ATOM 326 OE1 GLN A 33 13.059 2.658 -3.593 1.00 0.00 O ATOM 327 NE2 GLN A 33 12.097 3.882 -5.212 1.00 0.00 N ATOM 0 H GLN A 33 9.398 -0.288 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 33 12.128 -0.515 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.846 1.170 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.557 1.429 -2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.906 1.342 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.995 2.577 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.293 4.018 -5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.888 4.524 -5.258 1.00 0.00 H new ATOM 336 N LEU A 34 9.714 -1.526 -1.765 1.00 0.00 N ATOM 337 CA LEU A 34 9.456 -2.304 -0.559 1.00 0.00 C ATOM 338 C LEU A 34 10.026 -3.708 -0.691 1.00 0.00 C ATOM 339 O LEU A 34 10.585 -4.254 0.261 1.00 0.00 O ATOM 340 CB LEU A 34 7.955 -2.365 -0.270 1.00 0.00 C ATOM 341 CG LEU A 34 7.456 -1.339 0.749 1.00 0.00 C ATOM 342 CD1 LEU A 34 5.985 -1.032 0.524 1.00 0.00 C ATOM 343 CD2 LEU A 34 7.688 -1.841 2.168 1.00 0.00 C ATOM 0 H LEU A 34 8.877 -1.246 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 34 9.951 -1.809 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.413 -2.221 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.709 -3.364 0.091 1.00 0.00 H new ATOM 0 HG LEU A 34 8.021 -0.417 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.649 -0.300 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.847 -0.628 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.402 -1.947 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.327 -1.099 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.149 -2.777 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.754 -2.007 2.326 1.00 0.00 H new ATOM 355 N SER A 35 9.889 -4.285 -1.877 1.00 0.00 N ATOM 356 CA SER A 35 10.399 -5.624 -2.133 1.00 0.00 C ATOM 357 C SER A 35 11.921 -5.650 -2.021 1.00 0.00 C ATOM 358 O SER A 35 12.488 -6.479 -1.311 1.00 0.00 O ATOM 359 CB SER A 35 9.969 -6.100 -3.521 1.00 0.00 C ATOM 360 OG SER A 35 10.570 -5.318 -4.538 1.00 0.00 O ATOM 0 H SER A 35 9.430 -3.847 -2.676 1.00 0.00 H new ATOM 0 HA SER A 35 9.983 -6.297 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.245 -7.146 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.884 -6.044 -3.608 1.00 0.00 H new ATOM 0 HG SER A 35 9.981 -4.569 -4.766 1.00 0.00 H new ATOM 366 N SER A 36 12.576 -4.735 -2.732 1.00 0.00 N ATOM 367 CA SER A 36 14.033 -4.648 -2.716 1.00 0.00 C ATOM 368 C SER A 36 14.549 -4.186 -1.355 1.00 0.00 C ATOM 369 O SER A 36 15.578 -4.664 -0.877 1.00 0.00 O ATOM 370 CB SER A 36 14.517 -3.692 -3.807 1.00 0.00 C ATOM 371 OG SER A 36 15.744 -4.130 -4.362 1.00 0.00 O ATOM 0 H SER A 36 12.120 -4.043 -3.327 1.00 0.00 H new ATOM 0 HA SER A 36 14.428 -5.646 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.764 -3.621 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.639 -2.692 -3.391 1.00 0.00 H new ATOM 0 HG SER A 36 16.031 -3.503 -5.058 1.00 0.00 H new ATOM 377 N GLU A 37 13.837 -3.245 -0.743 1.00 0.00 N ATOM 378 CA GLU A 37 14.232 -2.706 0.555 1.00 0.00 C ATOM 379 C GLU A 37 14.108 -3.752 1.658 1.00 0.00 C ATOM 380 O GLU A 37 15.025 -3.934 2.458 1.00 0.00 O ATOM 381 CB GLU A 37 13.382 -1.482 0.901 1.00 0.00 C ATOM 382 CG GLU A 37 13.901 -0.701 2.098 1.00 0.00 C ATOM 383 CD GLU A 37 13.639 0.787 1.977 1.00 0.00 C ATOM 384 OE1 GLU A 37 13.820 1.334 0.869 1.00 0.00 O ATOM 385 OE2 GLU A 37 13.255 1.407 2.991 1.00 0.00 O ATOM 0 H GLU A 37 12.983 -2.839 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 37 15.279 -2.412 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.342 -0.821 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.361 -1.804 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.429 -1.077 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.973 -0.871 2.202 1.00 0.00 H new ATOM 392 N LEU A 38 12.967 -4.430 1.705 1.00 0.00 N ATOM 393 CA LEU A 38 12.729 -5.449 2.723 1.00 0.00 C ATOM 394 C LEU A 38 13.304 -6.799 2.302 1.00 0.00 C ATOM 395 O LEU A 38 13.546 -7.667 3.139 1.00 0.00 O ATOM 396 CB LEU A 38 11.230 -5.584 2.999 1.00 0.00 C ATOM 397 CG LEU A 38 10.634 -4.490 3.889 1.00 0.00 C ATOM 398 CD1 LEU A 38 10.952 -3.113 3.328 1.00 0.00 C ATOM 399 CD2 LEU A 38 9.131 -4.677 4.025 1.00 0.00 C ATOM 0 H LEU A 38 12.194 -4.294 1.053 1.00 0.00 H new ATOM 0 HA LEU A 38 13.235 -5.133 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.699 -5.586 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.048 -6.551 3.467 1.00 0.00 H new ATOM 0 HG LEU A 38 11.083 -4.568 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.520 -2.348 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.033 -2.980 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.531 -3.022 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.723 -3.891 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.667 -4.625 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.924 -5.649 4.472 1.00 0.00 H new ATOM 411 N GLY A 39 13.523 -6.970 1.002 1.00 0.00 N ATOM 412 CA GLY A 39 14.069 -8.219 0.502 1.00 0.00 C ATOM 413 C GLY A 39 13.073 -9.359 0.577 1.00 0.00 C ATOM 414 O GLY A 39 13.459 -10.520 0.699 1.00 0.00 O ATOM 0 H GLY A 39 13.333 -6.268 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.386 -8.085 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.958 -8.479 1.077 1.00 0.00 H new ATOM 418 N LEU A 40 11.789 -9.025 0.500 1.00 0.00 N ATOM 419 CA LEU A 40 10.735 -10.032 0.556 1.00 0.00 C ATOM 420 C LEU A 40 10.109 -10.236 -0.817 1.00 0.00 C ATOM 421 O LEU A 40 10.274 -9.410 -1.716 1.00 0.00 O ATOM 422 CB LEU A 40 9.652 -9.636 1.564 1.00 0.00 C ATOM 423 CG LEU A 40 9.436 -8.131 1.740 1.00 0.00 C ATOM 424 CD1 LEU A 40 8.831 -7.531 0.481 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.545 -7.862 2.943 1.00 0.00 C ATOM 0 H LEU A 40 11.453 -8.067 0.399 1.00 0.00 H new ATOM 0 HA LEU A 40 11.190 -10.968 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.709 -10.087 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.908 -10.065 2.533 1.00 0.00 H new ATOM 0 HG LEU A 40 10.403 -7.659 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.684 -6.460 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.504 -7.697 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.871 -8.005 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.400 -6.788 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.579 -8.345 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.016 -8.261 3.841 1.00 0.00 H new ATOM 437 N ASN A 41 9.388 -11.339 -0.971 1.00 0.00 N ATOM 438 CA ASN A 41 8.734 -11.650 -2.234 1.00 0.00 C ATOM 439 C ASN A 41 7.370 -10.971 -2.314 1.00 0.00 C ATOM 440 O ASN A 41 6.719 -10.743 -1.294 1.00 0.00 O ATOM 441 CB ASN A 41 8.576 -13.164 -2.391 1.00 0.00 C ATOM 442 CG ASN A 41 9.046 -13.656 -3.747 1.00 0.00 C ATOM 443 OD1 ASN A 41 10.087 -14.303 -3.859 1.00 0.00 O ATOM 444 ND2 ASN A 41 8.277 -13.351 -4.786 1.00 0.00 N ATOM 0 H ASN A 41 9.242 -12.032 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 41 9.358 -11.274 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.142 -13.669 -1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.529 -13.434 -2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.541 -13.655 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.422 -12.812 -4.647 1.00 0.00 H new ATOM 451 N GLU A 42 6.942 -10.658 -3.531 1.00 0.00 N ATOM 452 CA GLU A 42 5.652 -10.011 -3.750 1.00 0.00 C ATOM 453 C GLU A 42 4.538 -10.795 -3.070 1.00 0.00 C ATOM 454 O GLU A 42 3.527 -10.231 -2.653 1.00 0.00 O ATOM 455 CB GLU A 42 5.366 -9.909 -5.244 1.00 0.00 C ATOM 456 CG GLU A 42 6.449 -9.182 -6.024 1.00 0.00 C ATOM 457 CD GLU A 42 6.816 -9.893 -7.312 1.00 0.00 C ATOM 458 OE1 GLU A 42 7.359 -11.015 -7.237 1.00 0.00 O ATOM 459 OE2 GLU A 42 6.561 -9.326 -8.396 1.00 0.00 O ATOM 0 H GLU A 42 7.470 -10.842 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 42 5.692 -9.010 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.248 -10.913 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.417 -9.393 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.110 -8.172 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.338 -9.085 -5.401 1.00 0.00 H new ATOM 466 N ALA A 43 4.734 -12.104 -2.955 1.00 0.00 N ATOM 467 CA ALA A 43 3.744 -12.965 -2.314 1.00 0.00 C ATOM 468 C ALA A 43 3.510 -12.499 -0.884 1.00 0.00 C ATOM 469 O ALA A 43 2.390 -12.540 -0.375 1.00 0.00 O ATOM 470 CB ALA A 43 4.203 -14.415 -2.337 1.00 0.00 C ATOM 0 H ALA A 43 5.564 -12.591 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 43 2.806 -12.900 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.453 -15.042 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.337 -14.738 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.149 -14.506 -1.803 1.00 0.00 H new ATOM 476 N GLN A 44 4.578 -12.016 -0.259 1.00 0.00 N ATOM 477 CA GLN A 44 4.507 -11.489 1.096 1.00 0.00 C ATOM 478 C GLN A 44 3.956 -10.071 1.054 1.00 0.00 C ATOM 479 O GLN A 44 3.339 -9.591 2.005 1.00 0.00 O ATOM 480 CB GLN A 44 5.896 -11.473 1.726 1.00 0.00 C ATOM 481 CG GLN A 44 6.354 -12.828 2.235 1.00 0.00 C ATOM 482 CD GLN A 44 5.495 -13.343 3.372 1.00 0.00 C ATOM 483 OE1 GLN A 44 5.002 -14.470 3.332 1.00 0.00 O ATOM 484 NE2 GLN A 44 5.311 -12.515 4.395 1.00 0.00 N ATOM 0 H GLN A 44 5.509 -11.979 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 44 3.853 -12.124 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.614 -11.110 0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.901 -10.764 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.334 -13.546 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.389 -12.756 2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.739 -11.589 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.741 -12.805 5.190 1.00 0.00 H new ATOM 493 N ILE A 45 4.198 -9.412 -0.074 1.00 0.00 N ATOM 494 CA ILE A 45 3.752 -8.046 -0.292 1.00 0.00 C ATOM 495 C ILE A 45 2.226 -7.968 -0.335 1.00 0.00 C ATOM 496 O ILE A 45 1.632 -7.034 0.203 1.00 0.00 O ATOM 497 CB ILE A 45 4.342 -7.484 -1.608 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.859 -7.313 -1.471 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.690 -6.163 -1.990 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.262 -6.148 -0.592 1.00 0.00 C ATOM 0 H ILE A 45 4.709 -9.812 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 45 4.108 -7.443 0.543 1.00 0.00 H new ATOM 0 HB ILE A 45 4.133 -8.198 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.284 -8.230 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.291 -7.176 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.128 -5.796 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.619 -6.312 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.856 -5.433 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.349 -6.089 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.867 -5.222 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.860 -6.293 0.411 1.00 0.00 H new ATOM 512 N LYS A 46 1.591 -8.958 -0.960 1.00 0.00 N ATOM 513 CA LYS A 46 0.134 -8.986 -1.046 1.00 0.00 C ATOM 514 C LYS A 46 -0.467 -8.946 0.353 1.00 0.00 C ATOM 515 O LYS A 46 -1.346 -8.137 0.649 1.00 0.00 O ATOM 516 CB LYS A 46 -0.337 -10.239 -1.786 1.00 0.00 C ATOM 517 CG LYS A 46 -1.511 -9.987 -2.718 1.00 0.00 C ATOM 518 CD LYS A 46 -2.458 -11.175 -2.758 1.00 0.00 C ATOM 519 CE LYS A 46 -2.264 -12.002 -4.019 1.00 0.00 C ATOM 520 NZ LYS A 46 -3.311 -13.051 -4.163 1.00 0.00 N ATOM 0 H LYS A 46 2.059 -9.745 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.200 -8.111 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.494 -10.645 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.619 -10.998 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.053 -9.100 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.141 -9.782 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.293 -11.802 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.488 -10.822 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.285 -11.346 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.281 -12.472 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.143 -13.592 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.275 -13.692 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.248 -12.602 -4.210 1.00 0.00 H new ATOM 534 N ILE A 47 0.044 -9.814 1.216 1.00 0.00 N ATOM 535 CA ILE A 47 -0.402 -9.885 2.602 1.00 0.00 C ATOM 536 C ILE A 47 0.038 -8.633 3.346 1.00 0.00 C ATOM 537 O ILE A 47 -0.697 -8.075 4.160 1.00 0.00 O ATOM 538 CB ILE A 47 0.196 -11.125 3.302 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.777 -12.302 3.220 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.561 -10.826 4.754 1.00 0.00 C ATOM 541 CD1 ILE A 47 -0.095 -13.652 3.230 1.00 0.00 C ATOM 0 H ILE A 47 0.775 -10.485 0.978 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.489 -9.961 2.611 1.00 0.00 H new ATOM 0 HB ILE A 47 1.115 -11.394 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.471 -12.248 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.370 -12.210 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.979 -11.721 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.298 -10.023 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.333 -10.520 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.846 -14.440 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.578 -13.726 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.475 -13.765 4.152 1.00 0.00 H new ATOM 553 N TRP A 48 1.258 -8.223 3.051 1.00 0.00 N ATOM 554 CA TRP A 48 1.867 -7.053 3.662 1.00 0.00 C ATOM 555 C TRP A 48 1.009 -5.821 3.432 1.00 0.00 C ATOM 556 O TRP A 48 0.687 -5.088 4.368 1.00 0.00 O ATOM 557 CB TRP A 48 3.253 -6.875 3.036 1.00 0.00 C ATOM 558 CG TRP A 48 4.062 -5.716 3.534 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.173 -5.782 4.319 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.860 -4.327 3.244 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.672 -4.521 4.531 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.884 -3.615 3.889 1.00 0.00 C ATOM 563 CE3 TRP A 48 2.917 -3.616 2.507 1.00 0.00 C ATOM 564 CZ2 TRP A 48 4.993 -2.231 3.815 1.00 0.00 C ATOM 565 CZ3 TRP A 48 3.024 -2.243 2.434 1.00 0.00 C ATOM 566 CH2 TRP A 48 4.056 -1.564 3.085 1.00 0.00 C ATOM 0 H TRP A 48 1.859 -8.695 2.376 1.00 0.00 H new ATOM 0 HA TRP A 48 1.954 -7.188 4.740 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.824 -7.788 3.204 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.131 -6.769 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.598 -6.692 4.716 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.501 -4.298 5.082 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.114 -4.131 2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.791 -1.704 4.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.297 -1.683 1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.112 -0.488 3.008 1.00 0.00 H new ATOM 577 N PHE A 49 0.636 -5.606 2.182 1.00 0.00 N ATOM 578 CA PHE A 49 -0.195 -4.466 1.825 1.00 0.00 C ATOM 579 C PHE A 49 -1.605 -4.621 2.357 1.00 0.00 C ATOM 580 O PHE A 49 -2.194 -3.672 2.875 1.00 0.00 O ATOM 581 CB PHE A 49 -0.182 -4.234 0.317 1.00 0.00 C ATOM 582 CG PHE A 49 0.973 -3.369 -0.072 1.00 0.00 C ATOM 583 CD1 PHE A 49 0.841 -1.994 -0.109 1.00 0.00 C ATOM 584 CD2 PHE A 49 2.205 -3.932 -0.338 1.00 0.00 C ATOM 585 CE1 PHE A 49 1.930 -1.191 -0.405 1.00 0.00 C ATOM 586 CE2 PHE A 49 3.292 -3.142 -0.644 1.00 0.00 C ATOM 587 CZ PHE A 49 3.158 -1.771 -0.672 1.00 0.00 C ATOM 0 H PHE A 49 0.894 -6.204 1.397 1.00 0.00 H new ATOM 0 HA PHE A 49 0.229 -3.580 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.119 -5.190 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.116 -3.764 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.119 -1.542 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.319 -5.006 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.821 -0.117 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.247 -3.597 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.011 -1.149 -0.902 1.00 0.00 H new ATOM 597 N GLN A 50 -2.144 -5.821 2.228 1.00 0.00 N ATOM 598 CA GLN A 50 -3.485 -6.090 2.702 1.00 0.00 C ATOM 599 C GLN A 50 -3.544 -6.000 4.224 1.00 0.00 C ATOM 600 O GLN A 50 -4.571 -5.633 4.794 1.00 0.00 O ATOM 601 CB GLN A 50 -3.952 -7.470 2.237 1.00 0.00 C ATOM 602 CG GLN A 50 -4.320 -7.524 0.763 1.00 0.00 C ATOM 603 CD GLN A 50 -5.621 -8.261 0.513 1.00 0.00 C ATOM 604 OE1 GLN A 50 -6.590 -8.103 1.254 1.00 0.00 O ATOM 605 NE2 GLN A 50 -5.647 -9.074 -0.537 1.00 0.00 N ATOM 0 H GLN A 50 -1.674 -6.619 1.801 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.152 -5.337 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.163 -8.196 2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.816 -7.771 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.402 -6.509 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.518 -8.013 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.819 -9.175 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.495 -9.598 -0.756 1.00 0.00 H new ATOM 614 N ASN A 51 -2.434 -6.339 4.882 1.00 0.00 N ATOM 615 CA ASN A 51 -2.369 -6.294 6.338 1.00 0.00 C ATOM 616 C ASN A 51 -2.237 -4.858 6.832 1.00 0.00 C ATOM 617 O ASN A 51 -2.814 -4.487 7.853 1.00 0.00 O ATOM 618 CB ASN A 51 -1.189 -7.129 6.842 1.00 0.00 C ATOM 619 CG ASN A 51 -1.551 -8.590 7.028 1.00 0.00 C ATOM 620 OD1 ASN A 51 -2.160 -9.184 6.008 1.00 0.00 O flip ATOM 621 ND2 ASN A 51 -1.286 -9.178 8.076 1.00 0.00 N flip ATOM 0 H ASN A 51 -1.573 -6.646 4.429 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.296 -6.711 6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.363 -7.049 6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.838 -6.721 7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.817 -8.683 8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.535 -10.161 8.186 1.00 0.00 H new ATOM 628 N LYS A 52 -1.471 -4.055 6.101 1.00 0.00 N ATOM 629 CA LYS A 52 -1.262 -2.659 6.464 1.00 0.00 C ATOM 630 C LYS A 52 -2.573 -1.880 6.424 1.00 0.00 C ATOM 631 O LYS A 52 -2.867 -1.094 7.324 1.00 0.00 O ATOM 632 CB LYS A 52 -0.243 -2.011 5.524 1.00 0.00 C ATOM 633 CG LYS A 52 0.676 -1.018 6.216 1.00 0.00 C ATOM 634 CD LYS A 52 2.097 -1.108 5.683 1.00 0.00 C ATOM 635 CE LYS A 52 2.981 -1.943 6.596 1.00 0.00 C ATOM 636 NZ LYS A 52 3.681 -1.107 7.609 1.00 0.00 N ATOM 0 H LYS A 52 -0.985 -4.348 5.253 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.876 -2.632 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.361 -2.792 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.775 -1.502 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.296 -0.007 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.676 -1.208 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.086 -1.546 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.515 -0.106 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.374 -2.693 7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.717 -2.479 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.273 -1.714 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.281 -0.407 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.979 -0.615 8.198 1.00 0.00 H new ATOM 650 N ARG A 53 -3.358 -2.105 5.375 1.00 0.00 N ATOM 651 CA ARG A 53 -4.637 -1.423 5.219 1.00 0.00 C ATOM 652 C ARG A 53 -5.769 -2.426 5.020 1.00 0.00 C ATOM 653 O ARG A 53 -5.948 -2.966 3.928 1.00 0.00 O ATOM 654 CB ARG A 53 -4.582 -0.456 4.035 1.00 0.00 C ATOM 655 CG ARG A 53 -4.211 -1.126 2.721 1.00 0.00 C ATOM 656 CD ARG A 53 -3.191 -0.310 1.942 1.00 0.00 C ATOM 657 NE ARG A 53 -1.931 -0.164 2.671 1.00 0.00 N ATOM 658 CZ ARG A 53 -1.591 0.917 3.371 1.00 0.00 C ATOM 659 NH1 ARG A 53 -2.416 1.955 3.456 1.00 0.00 N ATOM 660 NH2 ARG A 53 -0.421 0.960 3.993 1.00 0.00 N ATOM 0 H ARG A 53 -3.131 -2.754 4.621 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.833 -0.859 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.553 0.028 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.857 0.329 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.807 -2.119 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.107 -1.262 2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.000 -0.790 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.603 0.677 1.729 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.270 -0.940 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.319 1.929 2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.146 2.778 3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.217 0.166 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.159 1.787 4.530 1.00 0.00 H new ATOM 674 N ALA A 54 -6.529 -2.670 6.081 1.00 0.00 N ATOM 675 CA ALA A 54 -7.644 -3.608 6.024 1.00 0.00 C ATOM 676 C ALA A 54 -8.976 -2.890 6.214 1.00 0.00 C ATOM 677 O ALA A 54 -9.917 -3.092 5.446 1.00 0.00 O ATOM 678 CB ALA A 54 -7.474 -4.694 7.074 1.00 0.00 C ATOM 0 H ALA A 54 -6.394 -2.231 6.992 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.648 -4.070 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.314 -5.387 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.545 -5.234 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.441 -4.240 8.065 1.00 0.00 H new ATOM 684 N LYS A 55 -9.049 -2.051 7.243 1.00 0.00 N ATOM 685 CA LYS A 55 -10.267 -1.303 7.534 1.00 0.00 C ATOM 686 C LYS A 55 -10.315 -0.007 6.731 1.00 0.00 C ATOM 687 O LYS A 55 -11.182 0.175 5.877 1.00 0.00 O ATOM 688 CB LYS A 55 -10.356 -0.994 9.030 1.00 0.00 C ATOM 689 CG LYS A 55 -11.075 -2.067 9.830 1.00 0.00 C ATOM 690 CD LYS A 55 -12.558 -2.110 9.500 1.00 0.00 C ATOM 691 CE LYS A 55 -13.240 -0.791 9.826 1.00 0.00 C ATOM 692 NZ LYS A 55 -14.602 -0.995 10.391 1.00 0.00 N ATOM 0 H LYS A 55 -8.280 -1.872 7.889 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.119 -1.919 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.349 -0.870 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.872 -0.044 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.627 -3.039 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.944 -1.877 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.690 -2.337 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.033 -2.915 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.631 -0.234 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.309 -0.185 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.033 -0.072 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.191 -1.504 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.535 -1.552 11.267 1.00 0.00 H new ATOM 706 N ILE A 56 -9.377 0.892 7.013 1.00 0.00 N ATOM 707 CA ILE A 56 -9.311 2.172 6.318 1.00 0.00 C ATOM 708 C ILE A 56 -10.550 3.015 6.602 1.00 0.00 C ATOM 709 O ILE A 56 -11.616 2.779 6.035 1.00 0.00 O ATOM 710 CB ILE A 56 -9.173 1.979 4.795 1.00 0.00 C ATOM 711 CG1 ILE A 56 -8.036 1.003 4.479 1.00 0.00 C ATOM 712 CG2 ILE A 56 -8.936 3.316 4.109 1.00 0.00 C ATOM 713 CD1 ILE A 56 -8.388 -0.010 3.412 1.00 0.00 C ATOM 0 H ILE A 56 -8.652 0.757 7.718 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.428 2.690 6.692 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.103 1.557 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.162 1.569 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.757 0.476 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.841 3.162 3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.777 3.981 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.020 3.765 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.536 -0.668 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.243 -0.601 3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.639 0.509 2.487 1.00 0.00 H new ATOM 725 N LYS A 57 -10.401 3.998 7.482 1.00 0.00 N ATOM 726 CA LYS A 57 -11.508 4.877 7.842 1.00 0.00 C ATOM 727 C LYS A 57 -11.001 6.264 8.222 1.00 0.00 C ATOM 728 O LYS A 57 -10.079 6.400 9.028 1.00 0.00 O ATOM 729 CB LYS A 57 -12.306 4.277 9.000 1.00 0.00 C ATOM 730 CG LYS A 57 -13.513 5.111 9.402 1.00 0.00 C ATOM 731 CD LYS A 57 -14.615 5.041 8.356 1.00 0.00 C ATOM 732 CE LYS A 57 -14.965 6.420 7.818 1.00 0.00 C ATOM 733 NZ LYS A 57 -16.432 6.587 7.632 1.00 0.00 N ATOM 0 H LYS A 57 -9.524 4.207 7.960 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.159 4.975 6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.641 3.278 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.649 4.163 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.897 4.759 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.209 6.148 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.297 4.399 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.503 4.584 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.597 7.182 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.458 6.578 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.629 7.540 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.779 5.876 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.914 6.462 8.545 1.00 0.00 H new ATOM 747 N LYS A 58 -11.607 7.292 7.637 1.00 0.00 N ATOM 748 CA LYS A 58 -11.217 8.669 7.916 1.00 0.00 C ATOM 749 C LYS A 58 -9.759 8.908 7.537 1.00 0.00 C ATOM 750 O LYS A 58 -9.022 7.968 7.240 1.00 0.00 O ATOM 751 CB LYS A 58 -11.432 8.993 9.396 1.00 0.00 C ATOM 752 CG LYS A 58 -12.867 9.364 9.735 1.00 0.00 C ATOM 753 CD LYS A 58 -13.179 10.799 9.344 1.00 0.00 C ATOM 754 CE LYS A 58 -14.624 10.953 8.897 1.00 0.00 C ATOM 755 NZ LYS A 58 -14.805 10.582 7.466 1.00 0.00 N ATOM 0 H LYS A 58 -12.370 7.197 6.967 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.843 9.327 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.137 8.131 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.776 9.817 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.550 8.689 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.035 9.232 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.987 11.458 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.513 11.111 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.265 10.327 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.943 11.984 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.803 10.701 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.213 11.196 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.525 9.590 7.326 1.00 0.00 H new ATOM 769 N SER A 59 -9.350 10.172 7.550 1.00 0.00 N ATOM 770 CA SER A 59 -7.980 10.536 7.209 1.00 0.00 C ATOM 771 C SER A 59 -7.753 12.033 7.386 1.00 0.00 C ATOM 772 O SER A 59 -6.579 12.460 7.359 1.00 0.00 O ATOM 773 CB SER A 59 -7.666 10.128 5.768 1.00 0.00 C ATOM 774 OG SER A 59 -8.708 10.516 4.889 1.00 0.00 O ATOM 775 OXT SER A 59 -8.750 12.766 7.549 1.00 0.00 O ATOM 0 H SER A 59 -9.948 10.962 7.793 1.00 0.00 H new ATOM 0 HA SER A 59 -7.311 10.004 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.730 10.588 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.524 9.049 5.715 1.00 0.00 H new ATOM 0 HG SER A 59 -8.482 10.245 3.975 1.00 0.00 H new TER 781 SER A 59