USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 1 LEU N :NH3+ 138:sc= 0.00726 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0.00427 (180deg=0.00214) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= -1.88 (180deg=-5.22!) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.209) USER MOD Single : A 22 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 34 SER OG : rot 91:sc= 1.25 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -6.61 K(o=-6.6,f=-9.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.208 0.507 0.359 1.00 72.41 N ATOM 2 CA LEU A 1 1.107 0.485 -0.790 1.00 33.12 C ATOM 3 C LEU A 1 0.605 1.412 -1.892 1.00 14.42 C ATOM 4 O LEU A 1 -0.587 1.441 -2.199 1.00 53.30 O ATOM 5 CB LEU A 1 1.242 -0.940 -1.329 1.00 64.03 C ATOM 6 CG LEU A 1 1.836 -1.073 -2.732 1.00 55.14 C ATOM 7 CD1 LEU A 1 2.669 -2.340 -2.842 1.00 21.13 C ATOM 8 CD2 LEU A 1 0.732 -1.066 -3.781 1.00 4.24 C ATOM 0 H1 LEU A 1 0.079 -0.461 0.717 1.00 72.41 H new ATOM 0 H2 LEU A 1 0.616 1.102 1.108 1.00 72.41 H new ATOM 0 H3 LEU A 1 -0.713 0.896 0.072 1.00 72.41 H new ATOM 0 HA LEU A 1 2.085 0.837 -0.462 1.00 33.12 H new ATOM 0 HB2 LEU A 1 1.862 -1.511 -0.638 1.00 64.03 H new ATOM 0 HB3 LEU A 1 0.255 -1.402 -1.329 1.00 64.03 H new ATOM 0 HG LEU A 1 2.488 -0.218 -2.912 1.00 55.14 H new ATOM 0 HD11 LEU A 1 3.083 -2.417 -3.847 1.00 21.13 H new ATOM 0 HD12 LEU A 1 3.482 -2.305 -2.116 1.00 21.13 H new ATOM 0 HD13 LEU A 1 2.040 -3.207 -2.641 1.00 21.13 H new ATOM 0 HD21 LEU A 1 1.172 -1.161 -4.773 1.00 4.24 H new ATOM 0 HD22 LEU A 1 0.055 -1.902 -3.602 1.00 4.24 H new ATOM 0 HD23 LEU A 1 0.177 -0.130 -3.719 1.00 4.24 H new ATOM 20 N LYS A 2 1.522 2.168 -2.485 1.00 40.43 N ATOM 21 CA LYS A 2 1.175 3.095 -3.556 1.00 75.01 C ATOM 22 C LYS A 2 2.137 2.954 -4.731 1.00 72.02 C ATOM 23 O LYS A 2 3.346 3.129 -4.581 1.00 21.22 O ATOM 24 CB LYS A 2 1.193 4.535 -3.038 1.00 73.03 C ATOM 25 CG LYS A 2 -0.075 5.310 -3.352 1.00 35.04 C ATOM 26 CD LYS A 2 -1.281 4.718 -2.641 1.00 22.13 C ATOM 27 CE LYS A 2 -2.575 5.053 -3.366 1.00 34.54 C ATOM 28 NZ LYS A 2 -3.058 6.422 -3.035 1.00 34.23 N ATOM 0 H LYS A 2 2.513 2.157 -2.242 1.00 40.43 H new ATOM 0 HA LYS A 2 0.170 2.852 -3.901 1.00 75.01 H new ATOM 0 HB2 LYS A 2 1.343 4.522 -1.958 1.00 73.03 H new ATOM 0 HB3 LYS A 2 2.045 5.058 -3.472 1.00 73.03 H new ATOM 0 HG2 LYS A 2 0.050 6.351 -3.053 1.00 35.04 H new ATOM 0 HG3 LYS A 2 -0.248 5.306 -4.428 1.00 35.04 H new ATOM 0 HD2 LYS A 2 -1.170 3.636 -2.574 1.00 22.13 H new ATOM 0 HD3 LYS A 2 -1.326 5.098 -1.620 1.00 22.13 H new ATOM 0 HE2 LYS A 2 -2.420 4.973 -4.442 1.00 34.54 H new ATOM 0 HE3 LYS A 2 -3.340 4.324 -3.099 1.00 34.54 H new ATOM 0 HZ1 LYS A 2 -3.884 6.651 -3.624 1.00 34.23 H new ATOM 0 HZ2 LYS A 2 -3.327 6.462 -2.031 1.00 34.23 H new ATOM 0 HZ3 LYS A 2 -2.301 7.111 -3.218 1.00 34.23 H new ATOM 42 N VAL A 3 1.592 2.638 -5.902 1.00 11.01 N ATOM 43 CA VAL A 3 2.402 2.476 -7.103 1.00 51.33 C ATOM 44 C VAL A 3 2.021 3.501 -8.165 1.00 55.43 C ATOM 45 O VAL A 3 2.809 3.809 -9.058 1.00 3.01 O ATOM 46 CB VAL A 3 2.253 1.062 -7.694 1.00 63.32 C ATOM 47 CG1 VAL A 3 3.218 0.863 -8.853 1.00 71.04 C ATOM 48 CG2 VAL A 3 2.476 0.009 -6.618 1.00 53.45 C ATOM 0 H VAL A 3 0.593 2.489 -6.044 1.00 11.01 H new ATOM 0 HA VAL A 3 3.440 2.631 -6.808 1.00 51.33 H new ATOM 0 HB VAL A 3 1.238 0.951 -8.075 1.00 63.32 H new ATOM 0 HG11 VAL A 3 3.098 -0.142 -9.258 1.00 71.04 H new ATOM 0 HG12 VAL A 3 3.007 1.596 -9.632 1.00 71.04 H new ATOM 0 HG13 VAL A 3 4.241 0.993 -8.501 1.00 71.04 H new ATOM 0 HG21 VAL A 3 2.367 -0.984 -7.053 1.00 53.45 H new ATOM 0 HG22 VAL A 3 3.479 0.117 -6.206 1.00 53.45 H new ATOM 0 HG23 VAL A 3 1.742 0.140 -5.823 1.00 53.45 H new ATOM 58 N GLY A 4 0.804 4.028 -8.062 1.00 1.32 N ATOM 59 CA GLY A 4 0.339 5.014 -9.020 1.00 13.23 C ATOM 60 C GLY A 4 -1.000 4.645 -9.628 1.00 22.11 C ATOM 61 O GLY A 4 -1.506 5.345 -10.505 1.00 3.30 O ATOM 0 H GLY A 4 0.132 3.790 -7.332 1.00 1.32 H new ATOM 0 HA2 GLY A 4 0.257 5.983 -8.528 1.00 13.23 H new ATOM 0 HA3 GLY A 4 1.078 5.121 -9.814 1.00 13.23 H new ATOM 65 N PHE A 5 -1.575 3.541 -9.163 1.00 22.21 N ATOM 66 CA PHE A 5 -2.862 3.078 -9.669 1.00 22.13 C ATOM 67 C PHE A 5 -3.935 4.147 -9.485 1.00 43.22 C ATOM 68 O PHE A 5 -4.972 4.122 -10.148 1.00 41.22 O ATOM 69 CB PHE A 5 -3.281 1.791 -8.955 1.00 71.02 C ATOM 70 CG PHE A 5 -3.133 1.858 -7.462 1.00 34.00 C ATOM 71 CD1 PHE A 5 -4.075 2.517 -6.688 1.00 52.23 C ATOM 72 CD2 PHE A 5 -2.053 1.261 -6.832 1.00 12.41 C ATOM 73 CE1 PHE A 5 -3.941 2.581 -5.314 1.00 71.03 C ATOM 74 CE2 PHE A 5 -1.914 1.322 -5.458 1.00 31.40 C ATOM 75 CZ PHE A 5 -2.860 1.981 -4.698 1.00 40.42 C ATOM 0 H PHE A 5 -1.170 2.950 -8.437 1.00 22.21 H new ATOM 0 HA PHE A 5 -2.754 2.876 -10.735 1.00 22.13 H new ATOM 0 HB2 PHE A 5 -4.320 1.571 -9.199 1.00 71.02 H new ATOM 0 HB3 PHE A 5 -2.682 0.963 -9.335 1.00 71.02 H new ATOM 0 HD1 PHE A 5 -4.923 2.986 -7.164 1.00 52.23 H new ATOM 0 HD2 PHE A 5 -1.311 0.742 -7.421 1.00 12.41 H new ATOM 0 HE1 PHE A 5 -4.681 3.100 -4.722 1.00 71.03 H new ATOM 0 HE2 PHE A 5 -1.066 0.855 -4.979 1.00 31.40 H new ATOM 0 HZ PHE A 5 -2.755 2.027 -3.624 1.00 40.42 H new ATOM 85 N PHE A 6 -3.678 5.086 -8.580 1.00 64.31 N ATOM 86 CA PHE A 6 -4.621 6.164 -8.307 1.00 71.52 C ATOM 87 C PHE A 6 -4.909 6.968 -9.572 1.00 24.24 C ATOM 88 O PHE A 6 -5.979 7.559 -9.716 1.00 20.03 O ATOM 89 CB PHE A 6 -4.073 7.086 -7.216 1.00 61.32 C ATOM 90 CG PHE A 6 -5.108 7.512 -6.215 1.00 75.32 C ATOM 91 CD1 PHE A 6 -5.838 6.569 -5.509 1.00 62.42 C ATOM 92 CD2 PHE A 6 -5.352 8.855 -5.980 1.00 12.23 C ATOM 93 CE1 PHE A 6 -6.792 6.958 -4.588 1.00 62.02 C ATOM 94 CE2 PHE A 6 -6.305 9.251 -5.059 1.00 62.45 C ATOM 95 CZ PHE A 6 -7.025 8.301 -4.362 1.00 63.41 C ATOM 0 H PHE A 6 -2.824 5.122 -8.023 1.00 64.31 H new ATOM 0 HA PHE A 6 -5.554 5.718 -7.961 1.00 71.52 H new ATOM 0 HB2 PHE A 6 -3.263 6.577 -6.694 1.00 61.32 H new ATOM 0 HB3 PHE A 6 -3.644 7.973 -7.683 1.00 61.32 H new ATOM 0 HD1 PHE A 6 -5.659 5.518 -5.681 1.00 62.42 H new ATOM 0 HD2 PHE A 6 -4.791 9.602 -6.522 1.00 12.23 H new ATOM 0 HE1 PHE A 6 -7.355 6.213 -4.045 1.00 62.02 H new ATOM 0 HE2 PHE A 6 -6.486 10.302 -4.885 1.00 62.45 H new ATOM 0 HZ PHE A 6 -7.769 8.607 -3.641 1.00 63.41 H new ATOM 105 N LYS A 7 -3.945 6.986 -10.486 1.00 3.01 N ATOM 106 CA LYS A 7 -4.092 7.716 -11.739 1.00 40.23 C ATOM 107 C LYS A 7 -5.258 7.168 -12.555 1.00 35.42 C ATOM 108 O LYS A 7 -5.738 7.817 -13.484 1.00 13.31 O ATOM 109 CB LYS A 7 -2.801 7.633 -12.557 1.00 2.14 C ATOM 110 CG LYS A 7 -2.759 8.599 -13.728 1.00 74.33 C ATOM 111 CD LYS A 7 -2.114 9.919 -13.341 1.00 32.44 C ATOM 112 CE LYS A 7 -0.678 9.723 -12.881 1.00 23.04 C ATOM 113 NZ LYS A 7 0.289 10.428 -13.767 1.00 24.31 N ATOM 0 H LYS A 7 -3.053 6.503 -10.382 1.00 3.01 H new ATOM 0 HA LYS A 7 -4.297 8.759 -11.500 1.00 40.23 H new ATOM 0 HB2 LYS A 7 -1.953 7.832 -11.902 1.00 2.14 H new ATOM 0 HB3 LYS A 7 -2.683 6.616 -12.931 1.00 2.14 H new ATOM 0 HG2 LYS A 7 -2.204 8.150 -14.551 1.00 74.33 H new ATOM 0 HG3 LYS A 7 -3.772 8.780 -14.088 1.00 74.33 H new ATOM 0 HD2 LYS A 7 -2.135 10.599 -14.193 1.00 32.44 H new ATOM 0 HD3 LYS A 7 -2.692 10.388 -12.544 1.00 32.44 H new ATOM 0 HE2 LYS A 7 -0.570 10.090 -11.860 1.00 23.04 H new ATOM 0 HE3 LYS A 7 -0.445 8.658 -12.863 1.00 23.04 H new ATOM 0 HZ1 LYS A 7 1.257 10.270 -13.420 1.00 24.31 H new ATOM 0 HZ2 LYS A 7 0.204 10.060 -14.736 1.00 24.31 H new ATOM 0 HZ3 LYS A 7 0.083 11.447 -13.765 1.00 24.31 H new ATOM 127 N ARG A 8 -5.711 5.969 -12.200 1.00 43.31 N ATOM 128 CA ARG A 8 -6.821 5.334 -12.899 1.00 52.12 C ATOM 129 C ARG A 8 -7.997 6.297 -13.040 1.00 21.43 C ATOM 130 O ARG A 8 -8.636 6.362 -14.089 1.00 10.12 O ATOM 131 CB ARG A 8 -7.266 4.074 -12.155 1.00 72.21 C ATOM 132 CG ARG A 8 -7.815 4.349 -10.765 1.00 11.23 C ATOM 133 CD ARG A 8 -7.897 3.077 -9.936 1.00 25.12 C ATOM 134 NE ARG A 8 -8.984 3.127 -8.962 1.00 23.21 N ATOM 135 CZ ARG A 8 -8.902 3.769 -7.802 1.00 55.31 C ATOM 136 NH1 ARG A 8 -7.791 4.413 -7.474 1.00 10.34 N ATOM 137 NH2 ARG A 8 -9.935 3.769 -6.968 1.00 42.04 N ATOM 0 H ARG A 8 -5.326 5.419 -11.432 1.00 43.31 H new ATOM 0 HA ARG A 8 -6.479 5.057 -13.896 1.00 52.12 H new ATOM 0 HB2 ARG A 8 -8.029 3.565 -12.744 1.00 72.21 H new ATOM 0 HB3 ARG A 8 -6.419 3.392 -12.074 1.00 72.21 H new ATOM 0 HG2 ARG A 8 -7.178 5.074 -10.258 1.00 11.23 H new ATOM 0 HG3 ARG A 8 -8.806 4.796 -10.846 1.00 11.23 H new ATOM 0 HD2 ARG A 8 -8.042 2.222 -10.597 1.00 25.12 H new ATOM 0 HD3 ARG A 8 -6.952 2.922 -9.416 1.00 25.12 H new ATOM 0 HE ARG A 8 -9.854 2.643 -9.185 1.00 23.21 H new ATOM 0 HH11 ARG A 8 -6.996 4.417 -8.113 1.00 10.34 H new ATOM 0 HH12 ARG A 8 -7.731 4.905 -6.583 1.00 10.34 H new ATOM 0 HH21 ARG A 8 -10.792 3.276 -7.218 1.00 42.04 H new ATOM 0 HH22 ARG A 8 -9.871 4.262 -6.077 1.00 42.04 H new ATOM 151 N ASN A 9 -8.276 7.041 -11.975 1.00 11.13 N ATOM 152 CA ASN A 9 -9.376 7.999 -11.979 1.00 5.31 C ATOM 153 C ASN A 9 -8.952 9.310 -12.634 1.00 1.40 C ATOM 154 O ASN A 9 -9.702 9.897 -13.415 1.00 44.54 O ATOM 155 CB ASN A 9 -9.856 8.262 -10.550 1.00 71.02 C ATOM 156 CG ASN A 9 -11.274 7.777 -10.319 1.00 32.11 C ATOM 157 OD1 ASN A 9 -12.238 8.501 -10.568 1.00 71.13 O ATOM 158 ND2 ASN A 9 -11.407 6.546 -9.839 1.00 73.21 N ATOM 0 H ASN A 9 -7.756 6.999 -11.098 1.00 11.13 H new ATOM 0 HA ASN A 9 -10.195 7.572 -12.557 1.00 5.31 H new ATOM 0 HB2 ASN A 9 -9.186 7.766 -9.847 1.00 71.02 H new ATOM 0 HB3 ASN A 9 -9.802 9.331 -10.342 1.00 71.02 H new ATOM 0 HD21 ASN A 9 -12.337 6.165 -9.662 1.00 73.21 H new ATOM 0 HD22 ASN A 9 -10.580 5.981 -9.647 1.00 73.21 H new ATOM 165 N LEU A 10 -7.746 9.764 -12.311 1.00 0.11 N ATOM 166 CA LEU A 10 -7.221 11.006 -12.868 1.00 70.11 C ATOM 167 C LEU A 10 -7.198 10.952 -14.392 1.00 72.03 C ATOM 168 O LEU A 10 -7.358 11.972 -15.063 1.00 44.02 O ATOM 169 CB LEU A 10 -5.812 11.272 -12.335 1.00 13.03 C ATOM 170 CG LEU A 10 -5.462 12.736 -12.064 1.00 74.22 C ATOM 171 CD1 LEU A 10 -3.960 12.904 -11.901 1.00 43.02 C ATOM 172 CD2 LEU A 10 -5.982 13.624 -13.185 1.00 41.21 C ATOM 0 H LEU A 10 -7.113 9.291 -11.666 1.00 0.11 H new ATOM 0 HA LEU A 10 -7.879 11.819 -12.561 1.00 70.11 H new ATOM 0 HB2 LEU A 10 -5.684 10.711 -11.409 1.00 13.03 H new ATOM 0 HB3 LEU A 10 -5.093 10.874 -13.051 1.00 13.03 H new ATOM 0 HG LEU A 10 -5.943 13.039 -11.134 1.00 74.22 H new ATOM 0 HD11 LEU A 10 -3.730 13.952 -11.709 1.00 43.02 H new ATOM 0 HD12 LEU A 10 -3.615 12.297 -11.064 1.00 43.02 H new ATOM 0 HD13 LEU A 10 -3.457 12.583 -12.813 1.00 43.02 H new ATOM 0 HD21 LEU A 10 -5.724 14.662 -12.976 1.00 41.21 H new ATOM 0 HD22 LEU A 10 -5.529 13.321 -14.129 1.00 41.21 H new ATOM 0 HD23 LEU A 10 -7.065 13.526 -13.254 1.00 41.21 H new ATOM 184 N LYS A 11 -7.001 9.755 -14.934 1.00 31.21 N ATOM 185 CA LYS A 11 -6.961 9.565 -16.379 1.00 41.40 C ATOM 186 C LYS A 11 -8.335 9.179 -16.916 1.00 34.14 C ATOM 187 O LYS A 11 -8.639 9.402 -18.087 1.00 13.52 O ATOM 188 CB LYS A 11 -5.938 8.488 -16.745 1.00 25.14 C ATOM 189 CG LYS A 11 -4.910 8.946 -17.765 1.00 3.34 C ATOM 190 CD LYS A 11 -4.380 10.333 -17.438 1.00 60.52 C ATOM 191 CE LYS A 11 -3.909 10.424 -15.995 1.00 23.41 C ATOM 192 NZ LYS A 11 -3.710 11.835 -15.564 1.00 55.21 N ATOM 0 H LYS A 11 -6.866 8.901 -14.393 1.00 31.21 H new ATOM 0 HA LYS A 11 -6.664 10.509 -16.835 1.00 41.40 H new ATOM 0 HB2 LYS A 11 -5.422 8.167 -15.840 1.00 25.14 H new ATOM 0 HB3 LYS A 11 -6.464 7.618 -17.138 1.00 25.14 H new ATOM 0 HG2 LYS A 11 -4.083 8.237 -17.793 1.00 3.34 H new ATOM 0 HG3 LYS A 11 -5.359 8.952 -18.758 1.00 3.34 H new ATOM 0 HD2 LYS A 11 -3.554 10.575 -18.107 1.00 60.52 H new ATOM 0 HD3 LYS A 11 -5.161 11.073 -17.614 1.00 60.52 H new ATOM 0 HE2 LYS A 11 -4.640 9.945 -15.344 1.00 23.41 H new ATOM 0 HE3 LYS A 11 -2.974 9.875 -15.883 1.00 23.41 H new ATOM 0 HZ1 LYS A 11 -2.698 12.007 -15.394 1.00 55.21 H new ATOM 0 HZ2 LYS A 11 -4.050 12.477 -16.309 1.00 55.21 H new ATOM 0 HZ3 LYS A 11 -4.243 12.009 -14.688 1.00 55.21 H new ATOM 206 N GLU A 12 -9.162 8.599 -16.051 1.00 0.45 N ATOM 207 CA GLU A 12 -10.504 8.183 -16.439 1.00 53.11 C ATOM 208 C GLU A 12 -11.237 9.312 -17.159 1.00 20.31 C ATOM 209 O GLU A 12 -12.128 9.069 -17.974 1.00 3.25 O ATOM 210 CB GLU A 12 -11.302 7.745 -15.209 1.00 75.03 C ATOM 211 CG GLU A 12 -12.085 8.873 -14.558 1.00 72.22 C ATOM 212 CD GLU A 12 -13.499 8.987 -15.094 1.00 40.23 C ATOM 213 OE1 GLU A 12 -14.176 7.945 -15.211 1.00 62.55 O ATOM 214 OE2 GLU A 12 -13.928 10.120 -15.396 1.00 53.54 O ATOM 0 H GLU A 12 -8.926 8.407 -15.078 1.00 0.45 H new ATOM 0 HA GLU A 12 -10.412 7.339 -17.123 1.00 53.11 H new ATOM 0 HB2 GLU A 12 -11.994 6.954 -15.498 1.00 75.03 H new ATOM 0 HB3 GLU A 12 -10.618 7.318 -14.475 1.00 75.03 H new ATOM 0 HG2 GLU A 12 -12.121 8.711 -13.481 1.00 72.22 H new ATOM 0 HG3 GLU A 12 -11.562 9.815 -14.721 1.00 72.22 H new ATOM 221 N LYS A 13 -10.856 10.547 -16.852 1.00 23.12 N ATOM 222 CA LYS A 13 -11.474 11.715 -17.468 1.00 71.44 C ATOM 223 C LYS A 13 -10.902 11.962 -18.860 1.00 42.14 C ATOM 224 O LYS A 13 -11.616 12.389 -19.768 1.00 41.22 O ATOM 225 CB LYS A 13 -11.264 12.951 -16.592 1.00 1.23 C ATOM 226 CG LYS A 13 -9.837 13.472 -16.607 1.00 54.53 C ATOM 227 CD LYS A 13 -9.690 14.720 -15.753 1.00 13.50 C ATOM 228 CE LYS A 13 -8.763 15.735 -16.404 1.00 2.23 C ATOM 229 NZ LYS A 13 -7.388 15.676 -15.834 1.00 33.32 N ATOM 0 H LYS A 13 -10.121 10.765 -16.179 1.00 23.12 H new ATOM 0 HA LYS A 13 -12.543 11.522 -17.562 1.00 71.44 H new ATOM 0 HB2 LYS A 13 -11.934 13.742 -16.928 1.00 1.23 H new ATOM 0 HB3 LYS A 13 -11.543 12.711 -15.566 1.00 1.23 H new ATOM 0 HG2 LYS A 13 -9.162 12.698 -16.241 1.00 54.53 H new ATOM 0 HG3 LYS A 13 -9.541 13.695 -17.632 1.00 54.53 H new ATOM 0 HD2 LYS A 13 -10.670 15.170 -15.593 1.00 13.50 H new ATOM 0 HD3 LYS A 13 -9.301 14.447 -14.772 1.00 13.50 H new ATOM 0 HE2 LYS A 13 -8.719 15.551 -17.477 1.00 2.23 H new ATOM 0 HE3 LYS A 13 -9.170 16.737 -16.269 1.00 2.23 H new ATOM 0 HZ1 LYS A 13 -6.737 16.215 -16.440 1.00 33.32 H new ATOM 0 HZ2 LYS A 13 -7.390 16.086 -14.878 1.00 33.32 H new ATOM 0 HZ3 LYS A 13 -7.075 14.685 -15.785 1.00 33.32 H new ATOM 243 N ILE A 14 -9.611 11.690 -19.022 1.00 13.05 N ATOM 244 CA ILE A 14 -8.945 11.881 -20.304 1.00 11.01 C ATOM 245 C ILE A 14 -9.568 11.002 -21.383 1.00 62.02 C ATOM 246 O ILE A 14 -9.822 11.457 -22.498 1.00 2.54 O ATOM 247 CB ILE A 14 -7.440 11.569 -20.208 1.00 70.34 C ATOM 248 CG1 ILE A 14 -6.709 12.695 -19.476 1.00 4.34 C ATOM 249 CG2 ILE A 14 -6.853 11.364 -21.597 1.00 24.43 C ATOM 250 CD1 ILE A 14 -7.019 12.755 -17.996 1.00 51.34 C ATOM 0 H ILE A 14 -9.006 11.337 -18.281 1.00 13.05 H new ATOM 0 HA ILE A 14 -9.074 12.929 -20.574 1.00 11.01 H new ATOM 0 HB ILE A 14 -7.310 10.648 -19.640 1.00 70.34 H new ATOM 0 HG12 ILE A 14 -5.635 12.567 -19.609 1.00 4.34 H new ATOM 0 HG13 ILE A 14 -6.975 13.648 -19.934 1.00 4.34 H new ATOM 0 HG21 ILE A 14 -5.789 11.144 -21.513 1.00 24.43 H new ATOM 0 HG22 ILE A 14 -7.358 10.531 -22.086 1.00 24.43 H new ATOM 0 HG23 ILE A 14 -6.991 12.270 -22.188 1.00 24.43 H new ATOM 0 HD11 ILE A 14 -6.466 13.577 -17.541 1.00 51.34 H new ATOM 0 HD12 ILE A 14 -8.088 12.915 -17.854 1.00 51.34 H new ATOM 0 HD13 ILE A 14 -6.727 11.817 -17.525 1.00 51.34 H new ATOM 262 N GLU A 15 -9.813 9.740 -21.043 1.00 4.41 N ATOM 263 CA GLU A 15 -10.407 8.798 -21.983 1.00 70.15 C ATOM 264 C GLU A 15 -11.645 9.397 -22.645 1.00 21.10 C ATOM 265 O GLU A 15 -12.091 8.927 -23.691 1.00 54.10 O ATOM 266 CB GLU A 15 -10.776 7.496 -21.270 1.00 73.41 C ATOM 267 CG GLU A 15 -12.179 7.498 -20.686 1.00 1.22 C ATOM 268 CD GLU A 15 -12.411 6.351 -19.722 1.00 14.13 C ATOM 269 OE1 GLU A 15 -11.925 6.432 -18.574 1.00 72.35 O ATOM 270 OE2 GLU A 15 -13.080 5.373 -20.115 1.00 73.43 O ATOM 0 H GLU A 15 -9.609 9.347 -20.124 1.00 4.41 H new ATOM 0 HA GLU A 15 -9.670 8.584 -22.757 1.00 70.15 H new ATOM 0 HB2 GLU A 15 -10.686 6.668 -21.973 1.00 73.41 H new ATOM 0 HB3 GLU A 15 -10.059 7.314 -20.470 1.00 73.41 H new ATOM 0 HG2 GLU A 15 -12.352 8.442 -20.170 1.00 1.22 H new ATOM 0 HG3 GLU A 15 -12.906 7.440 -21.496 1.00 1.22 H new ATOM 277 N ALA A 16 -12.194 10.437 -22.026 1.00 74.23 N ATOM 278 CA ALA A 16 -13.379 11.101 -22.555 1.00 12.33 C ATOM 279 C ALA A 16 -13.160 12.606 -22.669 1.00 2.13 C ATOM 280 O ALA A 16 -13.880 13.296 -23.389 1.00 35.51 O ATOM 281 CB ALA A 16 -14.586 10.807 -21.676 1.00 3.04 C ATOM 0 H ALA A 16 -11.837 10.838 -21.158 1.00 74.23 H new ATOM 0 HA ALA A 16 -13.568 10.710 -23.555 1.00 12.33 H new ATOM 0 HB1 ALA A 16 -15.464 11.309 -22.083 1.00 3.04 H new ATOM 0 HB2 ALA A 16 -14.763 9.732 -21.649 1.00 3.04 H new ATOM 0 HB3 ALA A 16 -14.397 11.169 -20.665 1.00 3.04 H new ATOM 287 N GLY A 17 -12.160 13.110 -21.952 1.00 24.22 N ATOM 288 CA GLY A 17 -11.864 14.530 -21.986 1.00 51.23 C ATOM 289 C GLY A 17 -10.745 14.866 -22.952 1.00 52.40 C ATOM 290 O GLY A 17 -10.873 14.655 -24.158 1.00 42.31 O ATOM 0 H GLY A 17 -11.549 12.560 -21.348 1.00 24.22 H new ATOM 0 HA2 GLY A 17 -12.762 15.078 -22.270 1.00 51.23 H new ATOM 0 HA3 GLY A 17 -11.589 14.865 -20.986 1.00 51.23 H new ATOM 294 N ARG A 18 -9.646 15.393 -22.422 1.00 30.43 N ATOM 295 CA ARG A 18 -8.501 15.762 -23.246 1.00 33.53 C ATOM 296 C ARG A 18 -7.193 15.529 -22.495 1.00 34.22 C ATOM 297 O ARG A 18 -6.791 16.340 -21.662 1.00 31.00 O ATOM 298 CB ARG A 18 -8.604 17.227 -23.671 1.00 44.33 C ATOM 299 CG ARG A 18 -8.610 18.201 -22.505 1.00 2.45 C ATOM 300 CD ARG A 18 -9.803 19.142 -22.570 1.00 71.32 C ATOM 301 NE ARG A 18 -10.318 19.467 -21.243 1.00 23.44 N ATOM 302 CZ ARG A 18 -9.736 20.334 -20.421 1.00 74.50 C ATOM 303 NH1 ARG A 18 -8.627 20.959 -20.789 1.00 51.52 N ATOM 304 NH2 ARG A 18 -10.265 20.576 -19.228 1.00 51.34 N ATOM 0 H ARG A 18 -9.524 15.574 -21.426 1.00 30.43 H new ATOM 0 HA ARG A 18 -8.506 15.132 -24.135 1.00 33.53 H new ATOM 0 HB2 ARG A 18 -7.768 17.465 -24.328 1.00 44.33 H new ATOM 0 HB3 ARG A 18 -9.516 17.364 -24.253 1.00 44.33 H new ATOM 0 HG2 ARG A 18 -8.633 17.647 -21.567 1.00 2.45 H new ATOM 0 HG3 ARG A 18 -7.687 18.781 -22.510 1.00 2.45 H new ATOM 0 HD2 ARG A 18 -9.513 20.060 -23.081 1.00 71.32 H new ATOM 0 HD3 ARG A 18 -10.594 18.684 -23.163 1.00 71.32 H new ATOM 0 HE ARG A 18 -11.171 19.003 -20.930 1.00 23.44 H new ATOM 0 HH11 ARG A 18 -8.218 20.775 -21.705 1.00 51.52 H new ATOM 0 HH12 ARG A 18 -8.182 21.624 -20.156 1.00 51.52 H new ATOM 0 HH21 ARG A 18 -11.119 20.096 -18.942 1.00 51.34 H new ATOM 0 HH22 ARG A 18 -9.818 21.242 -18.597 1.00 51.34 H new ATOM 318 N GLY A 19 -6.534 14.414 -22.796 1.00 33.12 N ATOM 319 CA GLY A 19 -5.280 14.094 -22.140 1.00 44.04 C ATOM 320 C GLY A 19 -4.308 15.257 -22.149 1.00 10.42 C ATOM 321 O GLY A 19 -4.583 16.301 -22.741 1.00 64.04 O ATOM 0 H GLY A 19 -6.846 13.727 -23.482 1.00 33.12 H new ATOM 0 HA2 GLY A 19 -5.478 13.798 -21.110 1.00 44.04 H new ATOM 0 HA3 GLY A 19 -4.822 13.238 -22.636 1.00 44.04 H new ATOM 325 N VAL A 20 -3.168 15.080 -21.488 1.00 35.42 N ATOM 326 CA VAL A 20 -2.153 16.123 -21.421 1.00 3.32 C ATOM 327 C VAL A 20 -1.867 16.702 -22.802 1.00 73.00 C ATOM 328 O VAL A 20 -2.085 17.885 -23.064 1.00 11.11 O ATOM 329 CB VAL A 20 -0.839 15.590 -20.818 1.00 52.41 C ATOM 330 CG1 VAL A 20 0.351 16.368 -21.359 1.00 71.23 C ATOM 331 CG2 VAL A 20 -0.885 15.658 -19.299 1.00 65.11 C ATOM 0 H VAL A 20 -2.925 14.223 -20.991 1.00 35.42 H new ATOM 0 HA VAL A 20 -2.548 16.908 -20.776 1.00 3.32 H new ATOM 0 HB VAL A 20 -0.722 14.546 -21.109 1.00 52.41 H new ATOM 0 HG11 VAL A 20 1.270 15.978 -20.922 1.00 71.23 H new ATOM 0 HG12 VAL A 20 0.392 16.263 -22.443 1.00 71.23 H new ATOM 0 HG13 VAL A 20 0.245 17.421 -21.100 1.00 71.23 H new ATOM 0 HG21 VAL A 20 0.051 15.278 -18.889 1.00 65.11 H new ATOM 0 HG22 VAL A 20 -1.025 16.692 -18.985 1.00 65.11 H new ATOM 0 HG23 VAL A 20 -1.714 15.053 -18.933 1.00 65.11 H new ATOM 341 N PRO A 21 -1.368 15.849 -23.709 1.00 50.31 N ATOM 342 CA PRO A 21 -1.043 16.253 -25.080 1.00 42.13 C ATOM 343 C PRO A 21 -2.288 16.556 -25.906 1.00 52.12 C ATOM 344 O PRO A 21 -2.374 17.595 -26.559 1.00 3.41 O ATOM 345 CB PRO A 21 -0.310 15.033 -25.645 1.00 14.40 C ATOM 346 CG PRO A 21 -0.815 13.884 -24.843 1.00 71.32 C ATOM 347 CD PRO A 21 -1.083 14.425 -23.466 1.00 52.12 C ATOM 0 HA PRO A 21 -0.455 17.171 -25.106 1.00 42.13 H new ATOM 0 HB2 PRO A 21 -0.523 14.899 -26.706 1.00 14.40 H new ATOM 0 HB3 PRO A 21 0.770 15.140 -25.547 1.00 14.40 H new ATOM 0 HG2 PRO A 21 -1.722 13.470 -25.283 1.00 71.32 H new ATOM 0 HG3 PRO A 21 -0.081 13.079 -24.810 1.00 71.32 H new ATOM 0 HD2 PRO A 21 -1.926 13.921 -22.993 1.00 52.12 H new ATOM 0 HD3 PRO A 21 -0.224 14.294 -22.808 1.00 52.12 H new ATOM 355 N ASN A 22 -3.252 15.642 -25.872 1.00 71.44 N ATOM 356 CA ASN A 22 -4.494 15.812 -26.619 1.00 24.34 C ATOM 357 C ASN A 22 -4.223 16.414 -27.994 1.00 15.10 C ATOM 358 O ASN A 22 -4.290 17.629 -28.175 1.00 52.11 O ATOM 359 CB ASN A 22 -5.463 16.704 -25.840 1.00 63.31 C ATOM 360 CG ASN A 22 -4.864 18.057 -25.510 1.00 11.35 C ATOM 361 OD1 ASN A 22 -4.020 18.175 -24.621 1.00 31.10 O ATOM 362 ND2 ASN A 22 -5.300 19.087 -26.225 1.00 42.42 N ATOM 0 H ASN A 22 -3.198 14.776 -25.336 1.00 71.44 H new ATOM 0 HA ASN A 22 -4.945 14.829 -26.755 1.00 24.34 H new ATOM 0 HB2 ASN A 22 -6.372 16.845 -26.424 1.00 63.31 H new ATOM 0 HB3 ASN A 22 -5.752 16.202 -24.916 1.00 63.31 H new ATOM 0 HD21 ASN A 22 -4.934 20.022 -26.047 1.00 42.42 H new ATOM 0 HD22 ASN A 22 -6.001 18.943 -26.952 1.00 42.42 H new ATOM 369 N GLY A 23 -3.918 15.554 -28.961 1.00 54.33 N ATOM 370 CA GLY A 23 -3.643 16.020 -30.308 1.00 73.20 C ATOM 371 C GLY A 23 -2.431 15.345 -30.918 1.00 71.15 C ATOM 372 O GLY A 23 -2.128 15.545 -32.095 1.00 73.32 O ATOM 0 H GLY A 23 -3.856 14.544 -28.836 1.00 54.33 H new ATOM 0 HA2 GLY A 23 -4.513 15.836 -30.938 1.00 73.20 H new ATOM 0 HA3 GLY A 23 -3.485 17.098 -30.291 1.00 73.20 H new ATOM 376 N ILE A 24 -1.735 14.545 -30.117 1.00 50.44 N ATOM 377 CA ILE A 24 -0.549 13.840 -30.586 1.00 61.21 C ATOM 378 C ILE A 24 -0.920 12.512 -31.236 1.00 75.45 C ATOM 379 O ILE A 24 -2.007 11.972 -31.026 1.00 62.55 O ATOM 380 CB ILE A 24 0.441 13.576 -29.436 1.00 13.23 C ATOM 381 CG1 ILE A 24 -0.248 12.805 -28.308 1.00 71.32 C ATOM 382 CG2 ILE A 24 1.011 14.888 -28.916 1.00 74.34 C ATOM 383 CD1 ILE A 24 0.694 12.378 -27.204 1.00 42.14 C ATOM 0 H ILE A 24 -1.972 14.369 -29.141 1.00 50.44 H new ATOM 0 HA ILE A 24 -0.072 14.483 -31.325 1.00 61.21 H new ATOM 0 HB ILE A 24 1.263 12.970 -29.816 1.00 13.23 H new ATOM 0 HG12 ILE A 24 -1.035 13.427 -27.882 1.00 71.32 H new ATOM 0 HG13 ILE A 24 -0.730 11.921 -28.725 1.00 71.32 H new ATOM 0 HG21 ILE A 24 1.709 14.685 -28.104 1.00 74.34 H new ATOM 0 HG22 ILE A 24 1.533 15.403 -29.723 1.00 74.34 H new ATOM 0 HG23 ILE A 24 0.200 15.517 -28.549 1.00 74.34 H new ATOM 0 HD11 ILE A 24 0.137 11.837 -26.439 1.00 42.14 H new ATOM 0 HD12 ILE A 24 1.467 11.730 -27.616 1.00 42.14 H new ATOM 0 HD13 ILE A 24 1.157 13.259 -26.760 1.00 42.14 H new ATOM 395 N PRO A 25 0.003 11.970 -32.045 1.00 33.23 N ATOM 396 CA PRO A 25 -0.204 10.696 -32.741 1.00 1.32 C ATOM 397 C PRO A 25 -0.207 9.508 -31.786 1.00 32.42 C ATOM 398 O PRO A 25 -0.122 8.356 -32.212 1.00 51.44 O ATOM 399 CB PRO A 25 0.992 10.614 -33.693 1.00 1.24 C ATOM 400 CG PRO A 25 2.046 11.449 -33.050 1.00 74.21 C ATOM 401 CD PRO A 25 1.320 12.558 -32.341 1.00 14.41 C ATOM 0 HA PRO A 25 -1.170 10.658 -33.244 1.00 1.32 H new ATOM 0 HB2 PRO A 25 1.326 9.584 -33.821 1.00 1.24 H new ATOM 0 HB3 PRO A 25 0.737 10.992 -34.683 1.00 1.24 H new ATOM 0 HG2 PRO A 25 2.638 10.860 -32.350 1.00 74.21 H new ATOM 0 HG3 PRO A 25 2.736 11.847 -33.794 1.00 74.21 H new ATOM 0 HD2 PRO A 25 1.839 12.860 -31.431 1.00 14.41 H new ATOM 0 HD3 PRO A 25 1.232 13.446 -32.968 1.00 14.41 H new ATOM 409 N ALA A 26 -0.306 9.794 -30.492 1.00 14.22 N ATOM 410 CA ALA A 26 -0.323 8.748 -29.477 1.00 14.22 C ATOM 411 C ALA A 26 -1.502 7.803 -29.682 1.00 54.11 C ATOM 412 O ALA A 26 -1.551 6.721 -29.098 1.00 2.43 O ATOM 413 CB ALA A 26 -0.373 9.363 -28.086 1.00 54.20 C ATOM 0 H ALA A 26 -0.376 10.742 -30.122 1.00 14.22 H new ATOM 0 HA ALA A 26 0.595 8.168 -29.573 1.00 14.22 H new ATOM 0 HB1 ALA A 26 -0.385 8.570 -27.338 1.00 54.20 H new ATOM 0 HB2 ALA A 26 0.505 9.992 -27.934 1.00 54.20 H new ATOM 0 HB3 ALA A 26 -1.274 9.968 -27.988 1.00 54.20 H new ATOM 419 N GLU A 27 -2.451 8.220 -30.515 1.00 61.32 N ATOM 420 CA GLU A 27 -3.630 7.409 -30.795 1.00 54.53 C ATOM 421 C GLU A 27 -3.234 5.990 -31.190 1.00 31.42 C ATOM 422 O GLU A 27 -3.909 5.024 -30.834 1.00 74.30 O ATOM 423 CB GLU A 27 -4.461 8.047 -31.911 1.00 15.24 C ATOM 424 CG GLU A 27 -3.638 8.480 -33.112 1.00 2.43 C ATOM 425 CD GLU A 27 -4.304 8.139 -34.430 1.00 73.51 C ATOM 426 OE1 GLU A 27 -5.552 8.164 -34.488 1.00 23.45 O ATOM 427 OE2 GLU A 27 -3.579 7.846 -35.404 1.00 34.13 O ATOM 0 H GLU A 27 -2.426 9.113 -31.007 1.00 61.32 H new ATOM 0 HA GLU A 27 -4.230 7.360 -29.886 1.00 54.53 H new ATOM 0 HB2 GLU A 27 -5.220 7.337 -32.239 1.00 15.24 H new ATOM 0 HB3 GLU A 27 -4.987 8.913 -31.510 1.00 15.24 H new ATOM 0 HG2 GLU A 27 -3.469 9.556 -33.063 1.00 2.43 H new ATOM 0 HG3 GLU A 27 -2.660 8.001 -33.069 1.00 2.43 H new ATOM 434 N ASP A 28 -2.135 5.872 -31.927 1.00 74.11 N ATOM 435 CA ASP A 28 -1.648 4.571 -32.370 1.00 63.12 C ATOM 436 C ASP A 28 -1.099 3.767 -31.195 1.00 43.44 C ATOM 437 O ASP A 28 -1.130 2.537 -31.204 1.00 23.14 O ATOM 438 CB ASP A 28 -0.565 4.744 -33.436 1.00 44.40 C ATOM 439 CG ASP A 28 -0.896 5.845 -34.424 1.00 42.42 C ATOM 440 OD1 ASP A 28 -1.808 5.644 -35.253 1.00 40.24 O ATOM 441 OD2 ASP A 28 -0.244 6.909 -34.368 1.00 24.43 O ATOM 0 H ASP A 28 -1.565 6.661 -32.230 1.00 74.11 H new ATOM 0 HA ASP A 28 -2.487 4.024 -32.801 1.00 63.12 H new ATOM 0 HB2 ASP A 28 0.385 4.968 -32.951 1.00 44.40 H new ATOM 0 HB3 ASP A 28 -0.435 3.805 -33.973 1.00 44.40 H new ATOM 446 N SER A 29 -0.595 4.472 -30.187 1.00 35.12 N ATOM 447 CA SER A 29 -0.035 3.824 -29.007 1.00 2.33 C ATOM 448 C SER A 29 -1.140 3.393 -28.047 1.00 43.21 C ATOM 449 O SER A 29 -1.107 2.290 -27.503 1.00 14.13 O ATOM 450 CB SER A 29 0.936 4.768 -28.294 1.00 31.21 C ATOM 451 OG SER A 29 1.437 5.751 -29.183 1.00 62.21 O ATOM 0 H SER A 29 -0.563 5.491 -30.164 1.00 35.12 H new ATOM 0 HA SER A 29 0.506 2.935 -29.333 1.00 2.33 H new ATOM 0 HB2 SER A 29 0.430 5.252 -27.459 1.00 31.21 H new ATOM 0 HB3 SER A 29 1.764 4.195 -27.876 1.00 31.21 H new ATOM 0 HG SER A 29 2.054 6.342 -28.703 1.00 62.21 H new ATOM 457 N GLU A 30 -2.116 4.272 -27.845 1.00 52.44 N ATOM 458 CA GLU A 30 -3.231 3.983 -26.951 1.00 1.31 C ATOM 459 C GLU A 30 -4.012 2.764 -27.432 1.00 33.12 C ATOM 460 O GLU A 30 -4.655 2.075 -26.640 1.00 70.13 O ATOM 461 CB GLU A 30 -4.162 5.193 -26.853 1.00 12.32 C ATOM 462 CG GLU A 30 -5.317 5.154 -27.840 1.00 2.32 C ATOM 463 CD GLU A 30 -6.242 6.348 -27.702 1.00 74.53 C ATOM 464 OE1 GLU A 30 -5.740 7.491 -27.706 1.00 61.11 O ATOM 465 OE2 GLU A 30 -7.468 6.138 -27.591 1.00 14.44 O ATOM 0 H GLU A 30 -2.157 5.190 -28.288 1.00 52.44 H new ATOM 0 HA GLU A 30 -2.824 3.766 -25.963 1.00 1.31 H new ATOM 0 HB2 GLU A 30 -4.562 5.252 -25.841 1.00 12.32 H new ATOM 0 HB3 GLU A 30 -3.583 6.101 -27.020 1.00 12.32 H new ATOM 0 HG2 GLU A 30 -4.922 5.121 -28.855 1.00 2.32 H new ATOM 0 HG3 GLU A 30 -5.888 4.238 -27.690 1.00 2.32 H new ATOM 472 N GLN A 31 -3.952 2.505 -28.734 1.00 44.51 N ATOM 473 CA GLN A 31 -4.654 1.371 -29.321 1.00 33.42 C ATOM 474 C GLN A 31 -4.312 0.079 -28.586 1.00 23.04 C ATOM 475 O GLN A 31 -5.189 -0.737 -28.300 1.00 14.44 O ATOM 476 CB GLN A 31 -4.302 1.236 -30.803 1.00 40.42 C ATOM 477 CG GLN A 31 -5.248 0.330 -31.574 1.00 13.01 C ATOM 478 CD GLN A 31 -4.868 0.197 -33.036 1.00 15.55 C ATOM 479 OE1 GLN A 31 -3.962 0.878 -33.518 1.00 32.44 O ATOM 480 NE2 GLN A 31 -5.561 -0.682 -33.750 1.00 51.21 N ATOM 0 H GLN A 31 -3.424 3.066 -29.403 1.00 44.51 H new ATOM 0 HA GLN A 31 -5.725 1.551 -29.224 1.00 33.42 H new ATOM 0 HB2 GLN A 31 -4.307 2.225 -31.260 1.00 40.42 H new ATOM 0 HB3 GLN A 31 -3.287 0.848 -30.893 1.00 40.42 H new ATOM 0 HG2 GLN A 31 -5.255 -0.658 -31.113 1.00 13.01 H new ATOM 0 HG3 GLN A 31 -6.262 0.723 -31.501 1.00 13.01 H new ATOM 0 HE21 GLN A 31 -6.303 -1.225 -33.309 1.00 51.21 H new ATOM 0 HE22 GLN A 31 -5.351 -0.814 -34.739 1.00 51.21 H new ATOM 489 N LEU A 32 -3.031 -0.101 -28.283 1.00 21.44 N ATOM 490 CA LEU A 32 -2.572 -1.295 -27.581 1.00 5.35 C ATOM 491 C LEU A 32 -2.651 -1.102 -26.070 1.00 35.15 C ATOM 492 O LEU A 32 -2.943 -2.041 -25.329 1.00 14.52 O ATOM 493 CB LEU A 32 -1.136 -1.629 -27.988 1.00 63.32 C ATOM 494 CG LEU A 32 -0.948 -2.161 -29.409 1.00 71.25 C ATOM 495 CD1 LEU A 32 -0.292 -1.110 -30.291 1.00 13.42 C ATOM 496 CD2 LEU A 32 -0.122 -3.439 -29.396 1.00 21.11 C ATOM 0 H LEU A 32 -2.292 0.564 -28.512 1.00 21.44 H new ATOM 0 HA LEU A 32 -3.224 -2.123 -27.858 1.00 5.35 H new ATOM 0 HB2 LEU A 32 -0.529 -0.731 -27.874 1.00 63.32 H new ATOM 0 HB3 LEU A 32 -0.744 -2.369 -27.290 1.00 63.32 H new ATOM 0 HG LEU A 32 -1.930 -2.391 -29.822 1.00 71.25 H new ATOM 0 HD11 LEU A 32 -0.167 -1.507 -31.298 1.00 13.42 H new ATOM 0 HD12 LEU A 32 -0.922 -0.221 -30.327 1.00 13.42 H new ATOM 0 HD13 LEU A 32 0.683 -0.848 -29.880 1.00 13.42 H new ATOM 0 HD21 LEU A 32 0.001 -3.803 -30.416 1.00 21.11 H new ATOM 0 HD22 LEU A 32 0.857 -3.235 -28.963 1.00 21.11 H new ATOM 0 HD23 LEU A 32 -0.632 -4.196 -28.800 1.00 21.11 H new ATOM 508 N ALA A 33 -2.392 0.121 -25.620 1.00 11.24 N ATOM 509 CA ALA A 33 -2.439 0.438 -24.198 1.00 1.04 C ATOM 510 C ALA A 33 -3.818 0.149 -23.616 1.00 34.52 C ATOM 511 O ALA A 33 -3.938 -0.386 -22.513 1.00 61.14 O ATOM 512 CB ALA A 33 -2.062 1.894 -23.969 1.00 14.33 C ATOM 0 H ALA A 33 -2.147 0.909 -26.220 1.00 11.24 H new ATOM 0 HA ALA A 33 -1.717 -0.198 -23.686 1.00 1.04 H new ATOM 0 HB1 ALA A 33 -2.101 2.117 -22.903 1.00 14.33 H new ATOM 0 HB2 ALA A 33 -1.052 2.071 -24.340 1.00 14.33 H new ATOM 0 HB3 ALA A 33 -2.762 2.539 -24.500 1.00 14.33 H new ATOM 518 N SER A 34 -4.858 0.506 -24.363 1.00 62.34 N ATOM 519 CA SER A 34 -6.230 0.288 -23.919 1.00 44.22 C ATOM 520 C SER A 34 -6.478 -1.188 -23.626 1.00 21.30 C ATOM 521 O SER A 34 -7.080 -1.539 -22.612 1.00 0.31 O ATOM 522 CB SER A 34 -7.216 0.782 -24.979 1.00 43.24 C ATOM 523 OG SER A 34 -6.947 2.126 -25.340 1.00 5.15 O ATOM 0 H SER A 34 -4.777 0.948 -25.279 1.00 62.34 H new ATOM 0 HA SER A 34 -6.382 0.854 -23.000 1.00 44.22 H new ATOM 0 HB2 SER A 34 -7.154 0.146 -25.862 1.00 43.24 H new ATOM 0 HB3 SER A 34 -8.234 0.701 -24.599 1.00 43.24 H new ATOM 0 HG SER A 34 -6.325 2.143 -26.097 1.00 5.15 H new ATOM 529 N GLY A 35 -6.009 -2.051 -24.523 1.00 1.40 N ATOM 530 CA GLY A 35 -6.189 -3.479 -24.344 1.00 35.34 C ATOM 531 C GLY A 35 -5.380 -4.025 -23.184 1.00 41.01 C ATOM 532 O GLY A 35 -5.775 -5.002 -22.549 1.00 71.55 O ATOM 0 H GLY A 35 -5.507 -1.786 -25.371 1.00 1.40 H new ATOM 0 HA2 GLY A 35 -7.245 -3.691 -24.178 1.00 35.34 H new ATOM 0 HA3 GLY A 35 -5.900 -3.996 -25.259 1.00 35.34 H new ATOM 536 N GLN A 36 -4.244 -3.393 -22.909 1.00 24.15 N ATOM 537 CA GLN A 36 -3.376 -3.824 -21.819 1.00 4.51 C ATOM 538 C GLN A 36 -3.995 -3.492 -20.466 1.00 14.55 C ATOM 539 O GLN A 36 -3.621 -4.065 -19.444 1.00 23.53 O ATOM 540 CB GLN A 36 -2.002 -3.161 -21.940 1.00 53.15 C ATOM 541 CG GLN A 36 -1.218 -3.606 -23.165 1.00 13.35 C ATOM 542 CD GLN A 36 0.198 -4.030 -22.828 1.00 75.52 C ATOM 543 OE1 GLN A 36 1.032 -3.207 -22.451 1.00 70.22 O ATOM 544 NE2 GLN A 36 0.476 -5.322 -22.963 1.00 3.22 N ATOM 0 H GLN A 36 -3.903 -2.582 -23.425 1.00 24.15 H new ATOM 0 HA GLN A 36 -3.258 -4.905 -21.889 1.00 4.51 H new ATOM 0 HB2 GLN A 36 -2.131 -2.079 -21.975 1.00 53.15 H new ATOM 0 HB3 GLN A 36 -1.420 -3.384 -21.046 1.00 53.15 H new ATOM 0 HG2 GLN A 36 -1.738 -4.436 -23.643 1.00 13.35 H new ATOM 0 HG3 GLN A 36 -1.187 -2.791 -23.888 1.00 13.35 H new ATOM 0 HE21 GLN A 36 -0.247 -5.969 -23.279 1.00 3.22 H new ATOM 0 HE22 GLN A 36 1.412 -5.667 -22.751 1.00 3.22 H new ATOM 553 N GLU A 37 -4.945 -2.561 -20.467 1.00 72.33 N ATOM 554 CA GLU A 37 -5.616 -2.153 -19.238 1.00 44.25 C ATOM 555 C GLU A 37 -6.257 -3.351 -18.545 1.00 15.23 C ATOM 556 O GLU A 37 -6.555 -3.304 -17.352 1.00 21.55 O ATOM 557 CB GLU A 37 -6.678 -1.094 -19.539 1.00 14.21 C ATOM 558 CG GLU A 37 -6.101 0.239 -19.984 1.00 3.33 C ATOM 559 CD GLU A 37 -7.163 1.197 -20.487 1.00 33.11 C ATOM 560 OE1 GLU A 37 -8.347 0.802 -20.524 1.00 74.53 O ATOM 561 OE2 GLU A 37 -6.811 2.341 -20.843 1.00 73.43 O ATOM 0 H GLU A 37 -5.267 -2.076 -21.305 1.00 72.33 H new ATOM 0 HA GLU A 37 -4.868 -1.727 -18.569 1.00 44.25 H new ATOM 0 HB2 GLU A 37 -7.343 -1.470 -20.316 1.00 14.21 H new ATOM 0 HB3 GLU A 37 -7.286 -0.938 -18.648 1.00 14.21 H new ATOM 0 HG2 GLU A 37 -5.570 0.697 -19.150 1.00 3.33 H new ATOM 0 HG3 GLU A 37 -5.368 0.068 -20.773 1.00 3.33 H new ATOM 568 N ALA A 38 -6.468 -4.422 -19.302 1.00 34.51 N ATOM 569 CA ALA A 38 -7.073 -5.633 -18.761 1.00 33.23 C ATOM 570 C ALA A 38 -6.298 -6.140 -17.549 1.00 60.04 C ATOM 571 O ALA A 38 -6.799 -6.955 -16.776 1.00 62.53 O ATOM 572 CB ALA A 38 -7.146 -6.711 -19.832 1.00 71.11 C ATOM 0 H ALA A 38 -6.229 -4.476 -20.292 1.00 34.51 H new ATOM 0 HA ALA A 38 -8.085 -5.390 -18.437 1.00 33.23 H new ATOM 0 HB1 ALA A 38 -7.600 -7.609 -19.414 1.00 71.11 H new ATOM 0 HB2 ALA A 38 -7.750 -6.354 -20.667 1.00 71.11 H new ATOM 0 HB3 ALA A 38 -6.141 -6.943 -20.184 1.00 71.11 H new ATOM 578 N GLY A 39 -5.071 -5.652 -17.391 1.00 14.33 N ATOM 579 CA GLY A 39 -4.246 -6.068 -16.272 1.00 15.45 C ATOM 580 C GLY A 39 -5.064 -6.390 -15.037 1.00 13.55 C ATOM 581 O GLY A 39 -5.601 -5.491 -14.387 1.00 62.45 O ATOM 0 H GLY A 39 -4.634 -4.976 -18.018 1.00 14.33 H new ATOM 0 HA2 GLY A 39 -3.666 -6.945 -16.559 1.00 15.45 H new ATOM 0 HA3 GLY A 39 -3.533 -5.278 -16.036 1.00 15.45 H new ATOM 585 N ASP A 40 -5.161 -7.674 -14.712 1.00 15.13 N ATOM 586 CA ASP A 40 -5.921 -8.113 -13.546 1.00 43.44 C ATOM 587 C ASP A 40 -5.435 -7.407 -12.284 1.00 42.12 C ATOM 588 O ASP A 40 -6.219 -6.857 -11.510 1.00 65.20 O ATOM 589 CB ASP A 40 -5.804 -9.628 -13.376 1.00 4.14 C ATOM 590 CG ASP A 40 -7.087 -10.352 -13.733 1.00 10.35 C ATOM 591 OD1 ASP A 40 -8.157 -9.943 -13.235 1.00 53.53 O ATOM 592 OD2 ASP A 40 -7.021 -11.327 -14.510 1.00 14.33 O ATOM 0 H ASP A 40 -4.723 -8.430 -15.239 1.00 15.13 H new ATOM 0 HA ASP A 40 -6.968 -7.853 -13.705 1.00 43.44 H new ATOM 0 HB2 ASP A 40 -4.994 -9.999 -14.004 1.00 4.14 H new ATOM 0 HB3 ASP A 40 -5.537 -9.855 -12.344 1.00 4.14 H new ATOM 597 N PRO A 41 -4.111 -7.422 -12.070 1.00 22.44 N ATOM 598 CA PRO A 41 -3.491 -6.789 -10.902 1.00 63.01 C ATOM 599 C PRO A 41 -3.562 -5.267 -10.962 1.00 60.01 C ATOM 600 O PRO A 41 -3.804 -4.688 -12.020 1.00 71.54 O ATOM 601 CB PRO A 41 -2.036 -7.259 -10.974 1.00 62.43 C ATOM 602 CG PRO A 41 -1.805 -7.556 -12.416 1.00 22.42 C ATOM 603 CD PRO A 41 -3.117 -8.059 -12.950 1.00 73.15 C ATOM 0 HA PRO A 41 -3.996 -7.061 -9.975 1.00 63.01 H new ATOM 0 HB2 PRO A 41 -1.353 -6.490 -10.614 1.00 62.43 H new ATOM 0 HB3 PRO A 41 -1.874 -8.143 -10.357 1.00 62.43 H new ATOM 0 HG2 PRO A 41 -1.482 -6.663 -12.952 1.00 22.42 H new ATOM 0 HG3 PRO A 41 -1.021 -8.303 -12.540 1.00 22.42 H new ATOM 0 HD2 PRO A 41 -3.262 -7.774 -13.992 1.00 73.15 H new ATOM 0 HD3 PRO A 41 -3.179 -9.146 -12.905 1.00 73.15 H new ATOM 611 N GLY A 42 -3.349 -4.623 -9.818 1.00 60.42 N ATOM 612 CA GLY A 42 -3.393 -3.174 -9.763 1.00 52.12 C ATOM 613 C GLY A 42 -2.054 -2.540 -10.086 1.00 34.44 C ATOM 614 O GLY A 42 -1.991 -1.377 -10.484 1.00 3.44 O ATOM 0 H GLY A 42 -3.147 -5.080 -8.929 1.00 60.42 H new ATOM 0 HA2 GLY A 42 -4.143 -2.810 -10.465 1.00 52.12 H new ATOM 0 HA3 GLY A 42 -3.709 -2.861 -8.768 1.00 52.12 H new ATOM 618 N CYS A 43 -0.983 -3.306 -9.912 1.00 43.34 N ATOM 619 CA CYS A 43 0.362 -2.811 -10.185 1.00 62.25 C ATOM 620 C CYS A 43 0.496 -2.377 -11.641 1.00 45.43 C ATOM 621 O CYS A 43 1.405 -1.623 -11.994 1.00 70.54 O ATOM 622 CB CYS A 43 1.399 -3.889 -9.864 1.00 41.44 C ATOM 623 SG CYS A 43 1.362 -5.307 -10.986 1.00 14.34 S ATOM 0 H CYS A 43 -1.019 -4.271 -9.584 1.00 43.34 H new ATOM 0 HA CYS A 43 0.540 -1.944 -9.548 1.00 62.25 H new ATOM 0 HB2 CYS A 43 2.393 -3.442 -9.893 1.00 41.44 H new ATOM 0 HB3 CYS A 43 1.238 -4.241 -8.845 1.00 41.44 H new ATOM 0 HG CYS A 43 2.276 -6.162 -10.635 1.00 14.34 H new ATOM 629 N LEU A 44 -0.412 -2.857 -12.483 1.00 33.03 N ATOM 630 CA LEU A 44 -0.395 -2.520 -13.902 1.00 1.31 C ATOM 631 C LEU A 44 -1.210 -1.259 -14.172 1.00 32.10 C ATOM 632 O LEU A 44 -1.062 -0.622 -15.215 1.00 5.22 O ATOM 633 CB LEU A 44 -0.944 -3.683 -14.730 1.00 30.04 C ATOM 634 CG LEU A 44 -0.046 -4.185 -15.861 1.00 1.31 C ATOM 635 CD1 LEU A 44 1.313 -4.600 -15.319 1.00 61.13 C ATOM 636 CD2 LEU A 44 -0.707 -5.343 -16.593 1.00 32.30 C ATOM 0 H LEU A 44 -1.170 -3.481 -12.207 1.00 33.03 H new ATOM 0 HA LEU A 44 0.639 -2.332 -14.193 1.00 1.31 H new ATOM 0 HB2 LEU A 44 -1.148 -4.517 -14.058 1.00 30.04 H new ATOM 0 HB3 LEU A 44 -1.899 -3.378 -15.159 1.00 30.04 H new ATOM 0 HG LEU A 44 0.102 -3.371 -16.570 1.00 1.31 H new ATOM 0 HD11 LEU A 44 1.939 -4.955 -16.138 1.00 61.13 H new ATOM 0 HD12 LEU A 44 1.791 -3.745 -14.841 1.00 61.13 H new ATOM 0 HD13 LEU A 44 1.185 -5.399 -14.588 1.00 61.13 H new ATOM 0 HD21 LEU A 44 -0.053 -5.687 -17.395 1.00 32.30 H new ATOM 0 HD22 LEU A 44 -0.886 -6.160 -15.894 1.00 32.30 H new ATOM 0 HD23 LEU A 44 -1.656 -5.012 -17.015 1.00 32.30 H new ATOM 648 N LYS A 45 -2.071 -0.903 -13.224 1.00 60.24 N ATOM 649 CA LYS A 45 -2.908 0.283 -13.357 1.00 51.20 C ATOM 650 C LYS A 45 -2.056 1.529 -13.577 1.00 63.20 C ATOM 651 O LYS A 45 -2.351 2.370 -14.426 1.00 45.02 O ATOM 652 CB LYS A 45 -3.778 0.461 -12.110 1.00 64.12 C ATOM 653 CG LYS A 45 -5.225 0.801 -12.421 1.00 61.34 C ATOM 654 CD LYS A 45 -6.168 0.243 -11.368 1.00 65.12 C ATOM 655 CE LYS A 45 -7.550 -0.026 -11.944 1.00 24.34 C ATOM 656 NZ LYS A 45 -8.490 -0.541 -10.910 1.00 11.20 N ATOM 0 H LYS A 45 -2.207 -1.420 -12.355 1.00 60.24 H new ATOM 0 HA LYS A 45 -3.552 0.147 -14.226 1.00 51.20 H new ATOM 0 HB2 LYS A 45 -3.747 -0.456 -11.522 1.00 64.12 H new ATOM 0 HB3 LYS A 45 -3.353 1.251 -11.491 1.00 64.12 H new ATOM 0 HG2 LYS A 45 -5.341 1.883 -12.478 1.00 61.34 H new ATOM 0 HG3 LYS A 45 -5.492 0.400 -13.399 1.00 61.34 H new ATOM 0 HD2 LYS A 45 -5.756 -0.681 -10.962 1.00 65.12 H new ATOM 0 HD3 LYS A 45 -6.248 0.947 -10.540 1.00 65.12 H new ATOM 0 HE2 LYS A 45 -7.950 0.893 -12.373 1.00 24.34 H new ATOM 0 HE3 LYS A 45 -7.471 -0.749 -12.756 1.00 24.34 H new ATOM 0 HZ1 LYS A 45 -9.421 -0.712 -11.341 1.00 11.20 H new ATOM 0 HZ2 LYS A 45 -8.121 -1.431 -10.518 1.00 11.20 H new ATOM 0 HZ3 LYS A 45 -8.585 0.160 -10.148 1.00 11.20 H new ATOM 670 N PRO A 46 -0.972 1.651 -12.796 1.00 31.11 N ATOM 671 CA PRO A 46 -0.054 2.790 -12.889 1.00 22.24 C ATOM 672 C PRO A 46 0.758 2.777 -14.180 1.00 35.34 C ATOM 673 O PRO A 46 1.296 3.803 -14.597 1.00 24.22 O ATOM 674 CB PRO A 46 0.865 2.604 -11.678 1.00 55.31 C ATOM 675 CG PRO A 46 0.824 1.143 -11.393 1.00 24.25 C ATOM 676 CD PRO A 46 -0.560 0.686 -11.763 1.00 3.45 C ATOM 0 HA PRO A 46 -0.585 3.742 -12.897 1.00 22.24 H new ATOM 0 HB2 PRO A 46 1.880 2.937 -11.896 1.00 55.31 H new ATOM 0 HB3 PRO A 46 0.516 3.184 -10.824 1.00 55.31 H new ATOM 0 HG2 PRO A 46 1.578 0.611 -11.973 1.00 24.25 H new ATOM 0 HG3 PRO A 46 1.032 0.945 -10.342 1.00 24.25 H new ATOM 0 HD2 PRO A 46 -0.558 -0.335 -12.145 1.00 3.45 H new ATOM 0 HD3 PRO A 46 -1.232 0.704 -10.905 1.00 3.45 H new ATOM 684 N LEU A 47 0.841 1.610 -14.809 1.00 34.42 N ATOM 685 CA LEU A 47 1.586 1.463 -16.054 1.00 3.10 C ATOM 686 C LEU A 47 0.694 1.744 -17.259 1.00 64.31 C ATOM 687 O LEU A 47 1.174 2.150 -18.318 1.00 74.03 O ATOM 688 CB LEU A 47 2.174 0.054 -16.157 1.00 13.51 C ATOM 689 CG LEU A 47 3.494 -0.068 -16.919 1.00 32.32 C ATOM 690 CD1 LEU A 47 4.624 0.581 -16.136 1.00 24.01 C ATOM 691 CD2 LEU A 47 3.811 -1.529 -17.205 1.00 13.12 C ATOM 0 H LEU A 47 0.401 0.752 -14.477 1.00 34.42 H new ATOM 0 HA LEU A 47 2.399 2.189 -16.050 1.00 3.10 H new ATOM 0 HB2 LEU A 47 2.323 -0.331 -15.148 1.00 13.51 H new ATOM 0 HB3 LEU A 47 1.439 -0.591 -16.638 1.00 13.51 H new ATOM 0 HG LEU A 47 3.392 0.454 -17.870 1.00 32.32 H new ATOM 0 HD11 LEU A 47 5.555 0.484 -16.694 1.00 24.01 H new ATOM 0 HD12 LEU A 47 4.401 1.637 -15.983 1.00 24.01 H new ATOM 0 HD13 LEU A 47 4.727 0.088 -15.169 1.00 24.01 H new ATOM 0 HD21 LEU A 47 4.754 -1.597 -17.748 1.00 13.12 H new ATOM 0 HD22 LEU A 47 3.893 -2.074 -16.265 1.00 13.12 H new ATOM 0 HD23 LEU A 47 3.013 -1.963 -17.807 1.00 13.12 H new ATOM 703 N HIS A 48 -0.606 1.526 -17.090 1.00 11.42 N ATOM 704 CA HIS A 48 -1.566 1.759 -18.163 1.00 71.31 C ATOM 705 C HIS A 48 -2.018 3.216 -18.182 1.00 33.24 C ATOM 706 O HIS A 48 -2.134 3.826 -19.244 1.00 64.41 O ATOM 707 CB HIS A 48 -2.777 0.839 -18.001 1.00 64.12 C ATOM 708 CG HIS A 48 -2.421 -0.615 -17.949 1.00 33.13 C ATOM 709 ND1 HIS A 48 -1.510 -1.198 -18.803 1.00 61.44 N ATOM 710 CD2 HIS A 48 -2.859 -1.605 -17.136 1.00 12.33 C ATOM 711 CE1 HIS A 48 -1.404 -2.484 -18.520 1.00 31.33 C ATOM 712 NE2 HIS A 48 -2.212 -2.756 -17.511 1.00 72.30 N ATOM 0 H HIS A 48 -1.019 1.188 -16.221 1.00 11.42 H new ATOM 0 HA HIS A 48 -1.075 1.538 -19.111 1.00 71.31 H new ATOM 0 HB2 HIS A 48 -3.308 1.108 -17.088 1.00 64.12 H new ATOM 0 HB3 HIS A 48 -3.464 1.007 -18.830 1.00 64.12 H new ATOM 0 HD1 HIS A 48 -0.997 -0.712 -19.539 1.00 61.44 H new ATOM 0 HD2 HIS A 48 -3.583 -1.507 -16.340 1.00 12.33 H new ATOM 0 HE1 HIS A 48 -0.766 -3.192 -19.027 1.00 31.33 H new ATOM 720 N GLU A 49 -2.273 3.766 -16.999 1.00 13.43 N ATOM 721 CA GLU A 49 -2.714 5.151 -16.881 1.00 15.23 C ATOM 722 C GLU A 49 -1.759 6.091 -17.612 1.00 35.44 C ATOM 723 O GLU A 49 -2.177 7.099 -18.182 1.00 21.13 O ATOM 724 CB GLU A 49 -2.816 5.554 -15.408 1.00 23.31 C ATOM 725 CG GLU A 49 -1.615 5.132 -14.578 1.00 3.51 C ATOM 726 CD GLU A 49 -0.660 6.279 -14.309 1.00 41.44 C ATOM 727 OE1 GLU A 49 -0.368 7.042 -15.254 1.00 2.44 O ATOM 728 OE2 GLU A 49 -0.205 6.414 -13.154 1.00 20.30 O ATOM 0 H GLU A 49 -2.182 3.275 -16.110 1.00 13.43 H new ATOM 0 HA GLU A 49 -3.699 5.232 -17.341 1.00 15.23 H new ATOM 0 HB2 GLU A 49 -2.930 6.636 -15.343 1.00 23.31 H new ATOM 0 HB3 GLU A 49 -3.716 5.112 -14.980 1.00 23.31 H new ATOM 0 HG2 GLU A 49 -1.960 4.721 -13.629 1.00 3.51 H new ATOM 0 HG3 GLU A 49 -1.082 4.334 -15.096 1.00 3.51 H new ATOM 735 N LYS A 50 -0.475 5.753 -17.590 1.00 24.31 N ATOM 736 CA LYS A 50 0.541 6.564 -18.250 1.00 65.41 C ATOM 737 C LYS A 50 0.212 6.752 -19.727 1.00 52.34 C ATOM 738 O LYS A 50 0.329 7.855 -20.263 1.00 72.53 O ATOM 739 CB LYS A 50 1.918 5.912 -18.103 1.00 63.11 C ATOM 740 CG LYS A 50 2.825 6.129 -19.302 1.00 61.11 C ATOM 741 CD LYS A 50 3.143 7.601 -19.502 1.00 11.43 C ATOM 742 CE LYS A 50 3.598 7.885 -20.925 1.00 3.31 C ATOM 743 NZ LYS A 50 5.002 7.445 -21.156 1.00 40.43 N ATOM 0 H LYS A 50 -0.113 4.922 -17.122 1.00 24.31 H new ATOM 0 HA LYS A 50 0.556 7.543 -17.771 1.00 65.41 H new ATOM 0 HB2 LYS A 50 2.406 6.309 -17.213 1.00 63.11 H new ATOM 0 HB3 LYS A 50 1.789 4.841 -17.945 1.00 63.11 H new ATOM 0 HG2 LYS A 50 3.751 5.571 -19.164 1.00 61.11 H new ATOM 0 HG3 LYS A 50 2.346 5.734 -20.198 1.00 61.11 H new ATOM 0 HD2 LYS A 50 2.260 8.199 -19.275 1.00 11.43 H new ATOM 0 HD3 LYS A 50 3.922 7.904 -18.803 1.00 11.43 H new ATOM 0 HE2 LYS A 50 2.937 7.375 -21.626 1.00 3.31 H new ATOM 0 HE3 LYS A 50 3.514 8.953 -21.127 1.00 3.31 H new ATOM 0 HZ1 LYS A 50 5.275 7.656 -22.137 1.00 40.43 H new ATOM 0 HZ2 LYS A 50 5.636 7.950 -20.504 1.00 40.43 H new ATOM 0 HZ3 LYS A 50 5.077 6.421 -20.988 1.00 40.43 H new ATOM 757 N ASP A 51 -0.202 5.671 -20.379 1.00 44.23 N ATOM 758 CA ASP A 51 -0.551 5.719 -21.794 1.00 61.44 C ATOM 759 C ASP A 51 -1.909 6.384 -21.997 1.00 45.10 C ATOM 760 O ASP A 51 -2.227 6.847 -23.092 1.00 45.42 O ATOM 761 CB ASP A 51 -0.567 4.308 -22.385 1.00 33.20 C ATOM 762 CG ASP A 51 0.462 3.399 -21.742 1.00 51.01 C ATOM 763 OD1 ASP A 51 1.637 3.442 -22.163 1.00 22.11 O ATOM 764 OD2 ASP A 51 0.092 2.646 -20.818 1.00 23.54 O ATOM 0 H ASP A 51 -0.304 4.751 -19.950 1.00 44.23 H new ATOM 0 HA ASP A 51 0.204 6.312 -22.309 1.00 61.44 H new ATOM 0 HB2 ASP A 51 -1.559 3.875 -22.258 1.00 33.20 H new ATOM 0 HB3 ASP A 51 -0.378 4.364 -23.457 1.00 33.20 H new ATOM 769 N SER A 52 -2.706 6.427 -20.934 1.00 65.31 N ATOM 770 CA SER A 52 -4.031 7.031 -20.997 1.00 32.05 C ATOM 771 C SER A 52 -3.931 8.546 -21.149 1.00 31.35 C ATOM 772 O SER A 52 -4.700 9.157 -21.890 1.00 3.44 O ATOM 773 CB SER A 52 -4.832 6.685 -19.740 1.00 32.02 C ATOM 774 OG SER A 52 -5.343 5.365 -19.808 1.00 71.11 O ATOM 0 H SER A 52 -2.457 6.051 -20.019 1.00 65.31 H new ATOM 0 HA SER A 52 -4.546 6.629 -21.870 1.00 32.05 H new ATOM 0 HB2 SER A 52 -4.196 6.787 -18.860 1.00 32.02 H new ATOM 0 HB3 SER A 52 -5.654 7.391 -19.623 1.00 32.02 H new ATOM 0 HG SER A 52 -5.849 5.168 -18.992 1.00 71.11 H new ATOM 780 N GLU A 53 -2.978 9.144 -20.441 1.00 22.43 N ATOM 781 CA GLU A 53 -2.777 10.587 -20.496 1.00 75.11 C ATOM 782 C GLU A 53 -2.465 11.039 -21.920 1.00 21.52 C ATOM 783 O GLU A 53 -2.904 12.103 -22.355 1.00 75.45 O ATOM 784 CB GLU A 53 -1.644 11.003 -19.557 1.00 3.22 C ATOM 785 CG GLU A 53 -1.903 12.314 -18.834 1.00 4.32 C ATOM 786 CD GLU A 53 -1.333 12.328 -17.428 1.00 74.14 C ATOM 787 OE1 GLU A 53 -1.257 11.246 -16.810 1.00 23.34 O ATOM 788 OE2 GLU A 53 -0.965 13.420 -16.947 1.00 70.44 O ATOM 0 H GLU A 53 -2.333 8.652 -19.823 1.00 22.43 H new ATOM 0 HA GLU A 53 -3.700 11.069 -20.174 1.00 75.11 H new ATOM 0 HB2 GLU A 53 -1.487 10.216 -18.819 1.00 3.22 H new ATOM 0 HB3 GLU A 53 -0.721 11.090 -20.131 1.00 3.22 H new ATOM 0 HG2 GLU A 53 -1.467 13.133 -19.407 1.00 4.32 H new ATOM 0 HG3 GLU A 53 -2.977 12.493 -18.788 1.00 4.32 H new ATOM 795 N SER A 54 -1.702 10.222 -22.639 1.00 72.24 N ATOM 796 CA SER A 54 -1.326 10.538 -24.012 1.00 54.34 C ATOM 797 C SER A 54 -2.453 10.187 -24.979 1.00 34.12 C ATOM 798 O SER A 54 -2.616 10.824 -26.018 1.00 54.43 O ATOM 799 CB SER A 54 -0.052 9.786 -24.401 1.00 75.33 C ATOM 800 OG SER A 54 0.692 9.417 -23.254 1.00 23.34 O ATOM 0 H SER A 54 -1.332 9.336 -22.294 1.00 72.24 H new ATOM 0 HA SER A 54 -1.139 11.610 -24.073 1.00 54.34 H new ATOM 0 HB2 SER A 54 -0.312 8.895 -24.972 1.00 75.33 H new ATOM 0 HB3 SER A 54 0.560 10.413 -25.050 1.00 75.33 H new ATOM 0 HG SER A 54 1.500 8.936 -23.529 1.00 23.34 H new ATOM 806 N GLY A 55 -3.230 9.166 -24.627 1.00 43.21 N ATOM 807 CA GLY A 55 -4.332 8.746 -25.473 1.00 4.31 C ATOM 808 C GLY A 55 -5.356 9.845 -25.678 1.00 61.44 C ATOM 809 O GLY A 55 -6.259 9.715 -26.504 1.00 64.40 O ATOM 0 H GLY A 55 -3.116 8.623 -23.771 1.00 43.21 H new ATOM 0 HA2 GLY A 55 -3.943 8.431 -26.441 1.00 4.31 H new ATOM 0 HA3 GLY A 55 -4.819 7.879 -25.027 1.00 4.31 H new ATOM 813 N GLY A 56 -5.217 10.930 -24.923 1.00 50.33 N ATOM 814 CA GLY A 56 -6.146 12.039 -25.041 1.00 1.15 C ATOM 815 C GLY A 56 -6.367 12.461 -26.480 1.00 31.43 C ATOM 816 O GLY A 56 -7.435 12.960 -26.830 1.00 51.53 O ATOM 0 H GLY A 56 -4.478 11.061 -24.232 1.00 50.33 H new ATOM 0 HA2 GLY A 56 -7.101 11.757 -24.598 1.00 1.15 H new ATOM 0 HA3 GLY A 56 -5.768 12.888 -24.471 1.00 1.15 H new ATOM 820 N GLY A 57 -5.353 12.260 -27.316 1.00 72.12 N ATOM 821 CA GLY A 57 -5.461 12.630 -28.715 1.00 54.02 C ATOM 822 C GLY A 57 -6.611 11.930 -29.413 1.00 3.11 C ATOM 823 O GLY A 57 -7.345 12.545 -30.186 1.00 50.34 O ATOM 0 H GLY A 57 -4.459 11.848 -27.049 1.00 72.12 H new ATOM 0 HA2 GLY A 57 -5.595 13.709 -28.793 1.00 54.02 H new ATOM 0 HA3 GLY A 57 -4.529 12.387 -29.225 1.00 54.02 H new ATOM 827 N LYS A 58 -6.767 10.639 -29.141 1.00 74.14 N ATOM 828 CA LYS A 58 -7.835 9.853 -29.748 1.00 70.14 C ATOM 829 C LYS A 58 -9.123 9.968 -28.939 1.00 41.13 C ATOM 830 O LYS A 58 -10.221 9.853 -29.483 1.00 73.04 O ATOM 831 CB LYS A 58 -7.417 8.385 -29.856 1.00 74.41 C ATOM 832 CG LYS A 58 -7.826 7.730 -31.165 1.00 3.53 C ATOM 833 CD LYS A 58 -7.354 6.288 -31.238 1.00 62.01 C ATOM 834 CE LYS A 58 -8.498 5.314 -31.001 1.00 52.44 C ATOM 835 NZ LYS A 58 -8.402 4.120 -31.886 1.00 13.22 N ATOM 0 H LYS A 58 -6.167 10.115 -28.504 1.00 74.14 H new ATOM 0 HA LYS A 58 -8.019 10.247 -30.748 1.00 70.14 H new ATOM 0 HB2 LYS A 58 -6.335 8.315 -29.747 1.00 74.41 H new ATOM 0 HB3 LYS A 58 -7.857 7.829 -29.028 1.00 74.41 H new ATOM 0 HG2 LYS A 58 -8.911 7.764 -31.267 1.00 3.53 H new ATOM 0 HG3 LYS A 58 -7.409 8.293 -32.000 1.00 3.53 H new ATOM 0 HD2 LYS A 58 -6.910 6.098 -32.215 1.00 62.01 H new ATOM 0 HD3 LYS A 58 -6.573 6.122 -30.496 1.00 62.01 H new ATOM 0 HE2 LYS A 58 -8.493 4.995 -29.959 1.00 52.44 H new ATOM 0 HE3 LYS A 58 -9.448 5.820 -31.175 1.00 52.44 H new ATOM 0 HZ1 LYS A 58 -9.199 3.481 -31.694 1.00 13.22 H new ATOM 0 HZ2 LYS A 58 -8.432 4.422 -32.881 1.00 13.22 H new ATOM 0 HZ3 LYS A 58 -7.507 3.623 -31.702 1.00 13.22 H new ATOM 849 N ASP A 59 -8.980 10.197 -27.639 1.00 14.14 N ATOM 850 CA ASP A 59 -10.133 10.331 -26.755 1.00 21.40 C ATOM 851 C ASP A 59 -10.957 11.561 -27.119 1.00 54.25 C ATOM 852 O ASP A 59 -12.180 11.563 -26.987 1.00 15.12 O ATOM 853 CB ASP A 59 -9.677 10.420 -25.298 1.00 34.04 C ATOM 854 CG ASP A 59 -8.718 9.308 -24.922 1.00 31.24 C ATOM 855 OD1 ASP A 59 -8.854 8.196 -25.473 1.00 73.20 O ATOM 856 OD2 ASP A 59 -7.832 9.549 -24.075 1.00 42.03 O ATOM 0 H ASP A 59 -8.078 10.294 -27.173 1.00 14.14 H new ATOM 0 HA ASP A 59 -10.759 9.447 -26.879 1.00 21.40 H new ATOM 0 HB2 ASP A 59 -9.196 11.383 -25.129 1.00 34.04 H new ATOM 0 HB3 ASP A 59 -10.549 10.380 -24.645 1.00 34.04 H new ATOM 861 N GLY A 60 -10.278 12.608 -27.579 1.00 32.11 N ATOM 862 CA GLY A 60 -10.964 13.831 -27.954 1.00 61.42 C ATOM 863 C GLY A 60 -11.966 13.614 -29.071 1.00 3.11 C ATOM 864 O GLY A 60 -12.030 12.532 -29.655 1.00 15.35 O ATOM 0 H GLY A 60 -9.265 12.631 -27.699 1.00 32.11 H new ATOM 0 HA2 GLY A 60 -11.478 14.238 -27.083 1.00 61.42 H new ATOM 0 HA3 GLY A 60 -10.231 14.574 -28.267 1.00 61.42 H new TER 868 GLY A 60