USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ -117:sc= -3.28! (180deg=-2.75!) USER MOD Set 1.2: A 55 THR OG1 : rot 63:sc= 1.71 USER MOD Single : A 5 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= -0.0421 (180deg=-0.455) USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -1.94! (180deg=-3.37!) USER MOD Single : A 16 SER OG : rot 97:sc= 0.874 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 29 GLN : amide:sc= -0.727 K(o=-0.73,f=-14!) USER MOD Single : A 30 THR OG1 : rot -101:sc= 1.22 USER MOD Single : A 32 ASN : amide:sc= -3.16 K(o=-3.2,f=-8!) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0.255 (180deg=0.0209) USER MOD Single : A 37 ASN : amide:sc= -2.12! K(o=-2.1!,f=-0.86) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0307 (180deg=-0.451) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.7! C(o=-3.7!,f=-1.4!) USER MOD Single : A 42 SER OG : rot 107:sc= -0.667 USER MOD Single : A 44 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.144 (180deg=-0.784) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0633 K(o=-0.063,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -6.397 -3.301 7.561 1.00 0.00 N ATOM 71 CA ASN A 5 -6.143 -4.222 6.457 1.00 0.00 C ATOM 72 C ASN A 5 -4.658 -4.464 6.269 1.00 0.00 C ATOM 73 O ASN A 5 -4.259 -5.484 5.734 1.00 0.00 O ATOM 74 CB ASN A 5 -6.754 -3.686 5.156 1.00 0.00 C ATOM 75 CG ASN A 5 -7.099 -4.841 4.218 1.00 0.00 C ATOM 76 OD1 ASN A 5 -6.470 -5.000 3.173 1.00 0.00 O ATOM 77 ND2 ASN A 5 -8.065 -5.655 4.523 1.00 0.00 N ATOM 0 HA ASN A 5 -6.614 -5.172 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.651 -3.109 5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.052 -3.009 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.301 -6.424 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.588 -5.525 5.389 1.00 0.00 H new ATOM 84 N LEU A 6 -3.841 -3.577 6.811 1.00 0.00 N ATOM 85 CA LEU A 6 -2.396 -3.717 6.713 1.00 0.00 C ATOM 86 C LEU A 6 -1.956 -5.015 7.359 1.00 0.00 C ATOM 87 O LEU A 6 -1.180 -5.777 6.775 1.00 0.00 O ATOM 88 CB LEU A 6 -1.705 -2.538 7.408 1.00 0.00 C ATOM 89 CG LEU A 6 -1.933 -1.249 6.607 1.00 0.00 C ATOM 90 CD1 LEU A 6 -1.488 -0.042 7.436 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.105 -1.303 5.317 1.00 0.00 C ATOM 0 H LEU A 6 -4.152 -2.752 7.324 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.116 -3.727 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.096 -2.422 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.637 -2.735 7.500 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.992 -1.155 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.651 0.872 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.067 -0.001 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.429 -0.136 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.264 -0.389 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.048 -1.396 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.414 -2.162 4.722 1.00 0.00 H new ATOM 103 N LYS A 7 -2.543 -5.331 8.498 1.00 0.00 N ATOM 104 CA LYS A 7 -2.277 -6.603 9.133 1.00 0.00 C ATOM 105 C LYS A 7 -2.761 -7.727 8.224 1.00 0.00 C ATOM 106 O LYS A 7 -2.124 -8.778 8.115 1.00 0.00 O ATOM 107 CB LYS A 7 -2.944 -6.662 10.520 1.00 0.00 C ATOM 108 CG LYS A 7 -4.444 -6.995 10.398 1.00 0.00 C ATOM 109 CD LYS A 7 -5.237 -6.219 11.456 1.00 0.00 C ATOM 110 CE LYS A 7 -6.247 -7.141 12.133 1.00 0.00 C ATOM 111 NZ LYS A 7 -5.553 -7.972 13.149 1.00 0.00 N ATOM 0 H LYS A 7 -3.200 -4.730 8.996 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.205 -6.722 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.449 -7.415 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.820 -5.706 11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.803 -6.739 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.600 -8.066 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.557 -5.803 12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.754 -5.379 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.034 -6.553 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.727 -7.779 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.240 -8.601 13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.817 -8.543 12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.115 -7.355 13.862 1.00 0.00 H new ATOM 125 N LEU A 8 -3.866 -7.469 7.540 1.00 0.00 N ATOM 126 CA LEU A 8 -4.410 -8.395 6.560 1.00 0.00 C ATOM 127 C LEU A 8 -3.516 -8.489 5.327 1.00 0.00 C ATOM 128 O LEU A 8 -3.438 -9.537 4.697 1.00 0.00 O ATOM 129 CB LEU A 8 -5.844 -8.014 6.158 1.00 0.00 C ATOM 130 CG LEU A 8 -6.785 -8.158 7.371 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.187 -7.671 6.998 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.856 -9.626 7.815 1.00 0.00 C ATOM 0 H LEU A 8 -4.409 -6.613 7.649 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.442 -9.377 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.867 -6.989 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.185 -8.654 5.344 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.395 -7.555 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.849 -7.774 7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.141 -6.624 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.571 -8.268 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.523 -9.715 8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.235 -10.236 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.860 -9.971 8.093 1.00 0.00 H new ATOM 144 N ILE A 9 -2.927 -7.365 4.917 1.00 0.00 N ATOM 145 CA ILE A 9 -2.208 -7.324 3.644 1.00 0.00 C ATOM 146 C ILE A 9 -1.071 -8.326 3.647 1.00 0.00 C ATOM 147 O ILE A 9 -0.920 -9.091 2.702 1.00 0.00 O ATOM 148 CB ILE A 9 -1.651 -5.910 3.352 1.00 0.00 C ATOM 149 CG1 ILE A 9 -2.793 -4.914 3.109 1.00 0.00 C ATOM 150 CG2 ILE A 9 -0.764 -5.950 2.103 1.00 0.00 C ATOM 151 CD1 ILE A 9 -3.637 -5.347 1.910 1.00 0.00 C ATOM 0 H ILE A 9 -2.932 -6.487 5.436 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.919 -7.582 2.859 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.072 -5.589 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.421 -4.848 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.384 -3.919 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.374 -4.952 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.066 -6.637 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.352 -6.289 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.442 -4.629 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.010 -5.389 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.062 -6.332 2.101 1.00 0.00 H new ATOM 163 N ARG A 10 -0.335 -8.397 4.733 1.00 0.00 N ATOM 164 CA ARG A 10 0.713 -9.404 4.825 1.00 0.00 C ATOM 165 C ARG A 10 0.101 -10.798 4.715 1.00 0.00 C ATOM 166 O ARG A 10 0.647 -11.689 4.052 1.00 0.00 O ATOM 167 CB ARG A 10 1.501 -9.278 6.130 1.00 0.00 C ATOM 168 CG ARG A 10 0.544 -9.195 7.315 1.00 0.00 C ATOM 169 CD ARG A 10 1.331 -9.408 8.607 1.00 0.00 C ATOM 170 NE ARG A 10 1.948 -10.734 8.598 1.00 0.00 N ATOM 171 CZ ARG A 10 1.234 -11.863 8.635 1.00 0.00 C ATOM 172 NH1 ARG A 10 -0.072 -11.811 8.724 1.00 0.00 N ATOM 173 NH2 ARG A 10 1.848 -13.011 8.592 1.00 0.00 N ATOM 0 H ARG A 10 -0.433 -7.791 5.547 1.00 0.00 H new ATOM 0 HA ARG A 10 1.408 -9.244 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.164 -10.135 6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.131 -8.389 6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.049 -8.224 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.237 -9.949 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.098 -8.640 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.669 -9.311 9.467 1.00 0.00 H new ATOM 0 HE ARG A 10 2.965 -10.800 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.545 -10.908 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.616 -12.673 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.866 -13.043 8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.311 -13.878 8.620 1.00 0.00 H new ATOM 187 N GLU A 11 -1.058 -10.967 5.328 1.00 0.00 N ATOM 188 CA GLU A 11 -1.782 -12.221 5.256 1.00 0.00 C ATOM 189 C GLU A 11 -2.228 -12.438 3.812 1.00 0.00 C ATOM 190 O GLU A 11 -2.024 -13.507 3.231 1.00 0.00 O ATOM 191 CB GLU A 11 -3.022 -12.134 6.166 1.00 0.00 C ATOM 192 CG GLU A 11 -3.533 -13.539 6.521 1.00 0.00 C ATOM 193 CD GLU A 11 -2.673 -14.175 7.603 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.831 -13.496 8.166 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.866 -15.336 7.860 1.00 0.00 O ATOM 0 H GLU A 11 -1.518 -10.246 5.884 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.149 -13.047 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.773 -11.591 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.809 -11.571 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.567 -13.479 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.527 -14.168 5.631 1.00 0.00 H new ATOM 202 N LYS A 12 -2.784 -11.383 3.235 1.00 0.00 N ATOM 203 CA LYS A 12 -3.264 -11.367 1.858 1.00 0.00 C ATOM 204 C LYS A 12 -2.121 -11.586 0.877 1.00 0.00 C ATOM 205 O LYS A 12 -2.253 -12.340 -0.092 1.00 0.00 O ATOM 206 CB LYS A 12 -3.914 -10.010 1.598 1.00 0.00 C ATOM 207 CG LYS A 12 -5.220 -9.912 2.404 1.00 0.00 C ATOM 208 CD LYS A 12 -5.695 -8.452 2.483 1.00 0.00 C ATOM 209 CE LYS A 12 -5.800 -7.850 1.085 1.00 0.00 C ATOM 210 NZ LYS A 12 -6.659 -8.711 0.233 1.00 0.00 N ATOM 0 H LYS A 12 -2.918 -10.495 3.719 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.983 -12.174 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.235 -9.207 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.119 -9.889 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.990 -10.526 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.065 -10.305 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.664 -8.405 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.999 -7.869 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.218 -6.845 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.808 -7.758 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.154 -8.123 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.069 -9.412 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.357 -9.202 0.828 1.00 0.00 H new ATOM 224 N LYS A 13 -1.003 -10.934 1.137 1.00 0.00 N ATOM 225 CA LYS A 13 0.169 -11.053 0.285 1.00 0.00 C ATOM 226 C LYS A 13 0.857 -12.385 0.480 1.00 0.00 C ATOM 227 O LYS A 13 1.746 -12.737 -0.296 1.00 0.00 O ATOM 228 CB LYS A 13 1.164 -9.914 0.552 1.00 0.00 C ATOM 229 CG LYS A 13 0.641 -8.584 -0.020 1.00 0.00 C ATOM 230 CD LYS A 13 0.763 -8.610 -1.555 1.00 0.00 C ATOM 231 CE LYS A 13 0.861 -7.182 -2.099 1.00 0.00 C ATOM 232 NZ LYS A 13 -0.351 -6.409 -1.745 1.00 0.00 N ATOM 0 H LYS A 13 -0.880 -10.312 1.936 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.176 -10.986 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.329 -9.814 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.127 -10.154 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.398 -8.433 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.211 -7.750 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.644 -9.180 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.101 -9.114 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.745 -6.691 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.981 -7.206 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.850 -6.128 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.979 -6.996 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.077 -5.558 -1.213 1.00 0.00 H new ATOM 246 N LYS A 14 0.475 -13.115 1.527 1.00 0.00 N ATOM 247 CA LYS A 14 1.103 -14.396 1.809 1.00 0.00 C ATOM 248 C LYS A 14 2.618 -14.241 1.821 1.00 0.00 C ATOM 249 O LYS A 14 3.301 -14.618 0.866 1.00 0.00 O ATOM 250 CB LYS A 14 0.679 -15.433 0.758 1.00 0.00 C ATOM 251 CG LYS A 14 0.577 -16.830 1.390 1.00 0.00 C ATOM 252 CD LYS A 14 -0.030 -17.836 0.388 1.00 0.00 C ATOM 253 CE LYS A 14 0.490 -17.589 -1.042 1.00 0.00 C ATOM 254 NZ LYS A 14 1.969 -17.448 -1.043 1.00 0.00 N ATOM 0 H LYS A 14 -0.257 -12.843 2.184 1.00 0.00 H new ATOM 0 HA LYS A 14 0.779 -14.743 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.282 -15.151 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.401 -15.449 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.566 -17.168 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.040 -16.785 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.216 -18.852 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.117 -17.754 0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.198 -18.416 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.033 -16.688 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.224 -16.465 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.342 -17.698 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.378 -18.083 -1.758 1.00 0.00 H new ATOM 268 N ILE A 15 3.140 -13.667 2.883 1.00 0.00 N ATOM 269 CA ILE A 15 4.562 -13.407 2.958 1.00 0.00 C ATOM 270 C ILE A 15 5.260 -14.649 3.493 1.00 0.00 C ATOM 271 O ILE A 15 4.986 -15.084 4.620 1.00 0.00 O ATOM 272 CB ILE A 15 4.815 -12.232 3.930 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.056 -10.987 3.470 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.307 -11.895 3.974 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.157 -9.916 4.564 1.00 0.00 C ATOM 0 H ILE A 15 2.606 -13.373 3.701 1.00 0.00 H new ATOM 0 HA ILE A 15 4.945 -13.156 1.969 1.00 0.00 H new ATOM 0 HB ILE A 15 4.469 -12.533 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.475 -10.613 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.012 -11.231 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.473 -11.066 4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.867 -12.766 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.646 -11.613 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.619 -9.022 4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.719 -10.296 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.205 -9.668 4.735 1.00 0.00 H new ATOM 287 N SER A 16 6.193 -15.186 2.724 1.00 0.00 N ATOM 288 CA SER A 16 6.976 -16.319 3.183 1.00 0.00 C ATOM 289 C SER A 16 8.221 -15.805 3.887 1.00 0.00 C ATOM 290 O SER A 16 8.409 -14.585 4.011 1.00 0.00 O ATOM 291 CB SER A 16 7.350 -17.243 2.016 1.00 0.00 C ATOM 292 OG SER A 16 6.397 -17.091 0.960 1.00 0.00 O ATOM 0 H SER A 16 6.425 -14.858 1.786 1.00 0.00 H new ATOM 0 HA SER A 16 6.380 -16.907 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.350 -17.003 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.373 -18.280 2.352 1.00 0.00 H new ATOM 0 HG SER A 16 6.745 -16.462 0.294 1.00 0.00 H new ATOM 298 N GLN A 17 9.038 -16.708 4.403 1.00 0.00 N ATOM 299 CA GLN A 17 10.201 -16.300 5.165 1.00 0.00 C ATOM 300 C GLN A 17 11.077 -15.350 4.363 1.00 0.00 C ATOM 301 O GLN A 17 11.514 -14.324 4.875 1.00 0.00 O ATOM 302 CB GLN A 17 11.007 -17.521 5.626 1.00 0.00 C ATOM 303 CG GLN A 17 11.558 -18.281 4.419 1.00 0.00 C ATOM 304 CD GLN A 17 11.920 -19.691 4.831 1.00 0.00 C ATOM 305 OE1 GLN A 17 13.005 -19.934 5.360 1.00 0.00 O ATOM 306 NE2 GLN A 17 11.067 -20.633 4.644 1.00 0.00 N ATOM 0 H GLN A 17 8.918 -17.717 4.309 1.00 0.00 H new ATOM 0 HA GLN A 17 9.850 -15.768 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.828 -17.202 6.269 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.374 -18.180 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.816 -18.303 3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.436 -17.770 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.169 -20.428 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.288 -21.586 4.934 1.00 0.00 H new ATOM 315 N SER A 18 11.318 -15.687 3.101 1.00 0.00 N ATOM 316 CA SER A 18 12.165 -14.859 2.259 1.00 0.00 C ATOM 317 C SER A 18 11.585 -13.457 2.100 1.00 0.00 C ATOM 318 O SER A 18 12.285 -12.463 2.310 1.00 0.00 O ATOM 319 CB SER A 18 12.334 -15.513 0.888 1.00 0.00 C ATOM 320 OG SER A 18 12.812 -16.855 1.053 1.00 0.00 O ATOM 0 H SER A 18 10.943 -16.518 2.645 1.00 0.00 H new ATOM 0 HA SER A 18 13.139 -14.769 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.383 -15.517 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.035 -14.938 0.283 1.00 0.00 H new ATOM 0 HG SER A 18 12.919 -17.275 0.174 1.00 0.00 H new ATOM 326 N GLU A 19 10.297 -13.371 1.782 1.00 0.00 N ATOM 327 CA GLU A 19 9.664 -12.074 1.623 1.00 0.00 C ATOM 328 C GLU A 19 9.645 -11.351 2.953 1.00 0.00 C ATOM 329 O GLU A 19 9.976 -10.167 3.041 1.00 0.00 O ATOM 330 CB GLU A 19 8.220 -12.227 1.117 1.00 0.00 C ATOM 331 CG GLU A 19 8.189 -13.030 -0.187 1.00 0.00 C ATOM 332 CD GLU A 19 8.010 -14.496 0.115 1.00 0.00 C ATOM 333 OE1 GLU A 19 8.949 -15.116 0.546 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.921 -14.982 -0.080 1.00 0.00 O ATOM 0 H GLU A 19 9.683 -14.172 1.632 1.00 0.00 H new ATOM 0 HA GLU A 19 10.236 -11.502 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.615 -12.727 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.779 -11.243 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.375 -12.679 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.114 -12.875 -0.742 1.00 0.00 H new ATOM 341 N LEU A 20 9.285 -12.080 3.997 1.00 0.00 N ATOM 342 CA LEU A 20 9.228 -11.501 5.320 1.00 0.00 C ATOM 343 C LEU A 20 10.616 -11.057 5.741 1.00 0.00 C ATOM 344 O LEU A 20 10.814 -9.917 6.179 1.00 0.00 O ATOM 345 CB LEU A 20 8.655 -12.512 6.322 1.00 0.00 C ATOM 346 CG LEU A 20 8.553 -11.868 7.710 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.659 -10.624 7.644 1.00 0.00 C ATOM 348 CD2 LEU A 20 7.948 -12.867 8.693 1.00 0.00 C ATOM 0 H LEU A 20 9.030 -13.067 3.950 1.00 0.00 H new ATOM 0 HA LEU A 20 8.570 -10.632 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.671 -12.846 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.293 -13.395 6.367 1.00 0.00 H new ATOM 0 HG LEU A 20 9.550 -11.581 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.591 -10.172 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.087 -9.905 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.663 -10.909 7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.876 -12.409 9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.953 -13.155 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.582 -13.752 8.750 1.00 0.00 H new ATOM 360 N ALA A 21 11.592 -11.921 5.513 1.00 0.00 N ATOM 361 CA ALA A 21 12.971 -11.592 5.811 1.00 0.00 C ATOM 362 C ALA A 21 13.423 -10.421 4.969 1.00 0.00 C ATOM 363 O ALA A 21 14.147 -9.549 5.451 1.00 0.00 O ATOM 364 CB ALA A 21 13.876 -12.789 5.572 1.00 0.00 C ATOM 0 H ALA A 21 11.452 -12.853 5.123 1.00 0.00 H new ATOM 0 HA ALA A 21 13.037 -11.317 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.906 -12.518 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.566 -13.614 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.806 -13.095 4.528 1.00 0.00 H new ATOM 370 N ALA A 22 12.971 -10.388 3.720 1.00 0.00 N ATOM 371 CA ALA A 22 13.286 -9.283 2.826 1.00 0.00 C ATOM 372 C ALA A 22 12.713 -7.992 3.386 1.00 0.00 C ATOM 373 O ALA A 22 13.386 -6.969 3.432 1.00 0.00 O ATOM 374 CB ALA A 22 12.709 -9.540 1.431 1.00 0.00 C ATOM 0 H ALA A 22 12.386 -11.114 3.305 1.00 0.00 H new ATOM 0 HA ALA A 22 14.370 -9.197 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.954 -8.704 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.136 -10.457 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.626 -9.643 1.498 1.00 0.00 H new ATOM 380 N LEU A 23 11.482 -8.056 3.850 1.00 0.00 N ATOM 381 CA LEU A 23 10.856 -6.906 4.491 1.00 0.00 C ATOM 382 C LEU A 23 11.613 -6.567 5.768 1.00 0.00 C ATOM 383 O LEU A 23 11.759 -5.404 6.138 1.00 0.00 O ATOM 384 CB LEU A 23 9.406 -7.250 4.861 1.00 0.00 C ATOM 385 CG LEU A 23 8.557 -7.423 3.597 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.189 -7.989 3.972 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.368 -6.072 2.917 1.00 0.00 C ATOM 0 H LEU A 23 10.893 -8.887 3.798 1.00 0.00 H new ATOM 0 HA LEU A 23 10.875 -6.059 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.382 -8.167 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.986 -6.460 5.483 1.00 0.00 H new ATOM 0 HG LEU A 23 9.064 -8.108 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.587 -8.111 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.316 -8.956 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.686 -7.304 4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.764 -6.198 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.864 -5.388 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.341 -5.662 2.645 1.00 0.00 H new ATOM 399 N LEU A 24 11.955 -7.615 6.495 1.00 0.00 N ATOM 400 CA LEU A 24 12.537 -7.532 7.829 1.00 0.00 C ATOM 401 C LEU A 24 14.061 -7.492 7.869 1.00 0.00 C ATOM 402 O LEU A 24 14.654 -7.934 8.848 1.00 0.00 O ATOM 403 CB LEU A 24 11.979 -8.613 8.746 1.00 0.00 C ATOM 404 CG LEU A 24 10.491 -8.327 9.008 1.00 0.00 C ATOM 405 CD1 LEU A 24 9.872 -9.477 9.786 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.332 -7.019 9.803 1.00 0.00 C ATOM 0 H LEU A 24 11.834 -8.574 6.169 1.00 0.00 H new ATOM 0 HA LEU A 24 12.229 -6.557 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.099 -9.595 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.530 -8.631 9.686 1.00 0.00 H new ATOM 0 HG LEU A 24 9.981 -8.224 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.818 -9.267 9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.965 -10.398 9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.389 -9.592 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.274 -6.828 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.851 -7.108 10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.758 -6.193 9.234 1.00 0.00 H new ATOM 418 N GLU A 25 14.707 -7.136 6.777 1.00 0.00 N ATOM 419 CA GLU A 25 16.174 -7.212 6.732 1.00 0.00 C ATOM 420 C GLU A 25 16.816 -6.449 7.896 1.00 0.00 C ATOM 421 O GLU A 25 17.967 -6.716 8.250 1.00 0.00 O ATOM 422 CB GLU A 25 16.721 -6.676 5.409 1.00 0.00 C ATOM 423 CG GLU A 25 16.327 -7.613 4.269 1.00 0.00 C ATOM 424 CD GLU A 25 16.837 -7.071 2.952 1.00 0.00 C ATOM 425 OE1 GLU A 25 16.691 -5.892 2.719 1.00 0.00 O ATOM 426 OE2 GLU A 25 17.387 -7.836 2.197 1.00 0.00 O ATOM 0 H GLU A 25 14.264 -6.798 5.923 1.00 0.00 H new ATOM 0 HA GLU A 25 16.434 -8.267 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.330 -5.676 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.806 -6.589 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.738 -8.607 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.243 -7.718 4.233 1.00 0.00 H new ATOM 433 N VAL A 26 16.052 -5.576 8.537 1.00 0.00 N ATOM 434 CA VAL A 26 16.545 -4.830 9.693 1.00 0.00 C ATOM 435 C VAL A 26 15.982 -5.431 10.983 1.00 0.00 C ATOM 436 O VAL A 26 14.967 -6.135 10.956 1.00 0.00 O ATOM 437 CB VAL A 26 16.149 -3.349 9.575 1.00 0.00 C ATOM 438 CG1 VAL A 26 16.857 -2.722 8.366 1.00 0.00 C ATOM 439 CG2 VAL A 26 14.630 -3.227 9.378 1.00 0.00 C ATOM 0 H VAL A 26 15.088 -5.365 8.279 1.00 0.00 H new ATOM 0 HA VAL A 26 17.633 -4.898 9.721 1.00 0.00 H new ATOM 0 HB VAL A 26 16.443 -2.832 10.488 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.575 -1.672 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.936 -2.799 8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.563 -3.249 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.357 -2.175 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.338 -3.750 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.116 -3.669 10.231 1.00 0.00 H new ATOM 449 N SER A 27 16.689 -5.249 12.093 1.00 0.00 N ATOM 450 CA SER A 27 16.272 -5.873 13.341 1.00 0.00 C ATOM 451 C SER A 27 14.877 -5.391 13.725 1.00 0.00 C ATOM 452 O SER A 27 14.628 -4.185 13.851 1.00 0.00 O ATOM 453 CB SER A 27 17.289 -5.567 14.438 1.00 0.00 C ATOM 454 OG SER A 27 18.610 -5.683 13.888 1.00 0.00 O ATOM 0 H SER A 27 17.537 -4.686 12.154 1.00 0.00 H new ATOM 0 HA SER A 27 16.229 -6.954 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.130 -4.563 14.831 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.165 -6.258 15.272 1.00 0.00 H new ATOM 0 HG SER A 27 19.272 -5.487 14.583 1.00 0.00 H new ATOM 460 N ARG A 28 13.956 -6.343 13.827 1.00 0.00 N ATOM 461 CA ARG A 28 12.541 -6.047 14.053 1.00 0.00 C ATOM 462 C ARG A 28 12.363 -5.352 15.384 1.00 0.00 C ATOM 463 O ARG A 28 11.498 -4.490 15.544 1.00 0.00 O ATOM 464 CB ARG A 28 11.699 -7.345 14.069 1.00 0.00 C ATOM 465 CG ARG A 28 12.507 -8.547 13.547 1.00 0.00 C ATOM 466 CD ARG A 28 12.822 -8.391 12.056 1.00 0.00 C ATOM 467 NE ARG A 28 13.503 -9.592 11.570 1.00 0.00 N ATOM 468 CZ ARG A 28 14.797 -9.605 11.209 1.00 0.00 C ATOM 469 NH1 ARG A 28 15.480 -8.495 11.147 1.00 0.00 N ATOM 470 NH2 ARG A 28 15.357 -10.730 10.865 1.00 0.00 N ATOM 0 H ARG A 28 14.165 -7.339 13.756 1.00 0.00 H new ATOM 0 HA ARG A 28 12.204 -5.404 13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.359 -7.547 15.085 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.808 -7.210 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.435 -8.638 14.111 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.944 -9.466 13.709 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.902 -8.230 11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.450 -7.515 11.896 1.00 0.00 H new ATOM 0 HE ARG A 28 12.970 -10.459 11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.032 -7.607 11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.462 -8.515 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.813 -11.593 10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.339 -10.748 10.590 1.00 0.00 H new ATOM 484 N GLN A 29 13.140 -5.792 16.349 1.00 0.00 N ATOM 485 CA GLN A 29 13.022 -5.334 17.722 1.00 0.00 C ATOM 486 C GLN A 29 13.066 -3.819 17.794 1.00 0.00 C ATOM 487 O GLN A 29 12.298 -3.198 18.538 1.00 0.00 O ATOM 488 CB GLN A 29 14.170 -5.921 18.555 1.00 0.00 C ATOM 489 CG GLN A 29 14.281 -7.433 18.292 1.00 0.00 C ATOM 490 CD GLN A 29 15.317 -7.689 17.204 1.00 0.00 C ATOM 491 OE1 GLN A 29 15.187 -7.160 16.094 1.00 0.00 O ATOM 492 NE2 GLN A 29 16.330 -8.455 17.441 1.00 0.00 N ATOM 0 H GLN A 29 13.877 -6.482 16.206 1.00 0.00 H new ATOM 0 HA GLN A 29 12.064 -5.670 18.119 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.108 -5.428 18.298 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.993 -5.738 19.615 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.565 -7.952 19.208 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.313 -7.831 17.987 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.436 -8.891 18.357 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.023 -8.624 16.712 1.00 0.00 H new ATOM 501 N THR A 30 13.957 -3.229 17.023 1.00 0.00 N ATOM 502 CA THR A 30 14.119 -1.792 17.033 1.00 0.00 C ATOM 503 C THR A 30 12.768 -1.095 16.871 1.00 0.00 C ATOM 504 O THR A 30 12.261 -0.469 17.809 1.00 0.00 O ATOM 505 CB THR A 30 15.059 -1.384 15.895 1.00 0.00 C ATOM 506 OG1 THR A 30 14.523 -1.839 14.643 1.00 0.00 O ATOM 507 CG2 THR A 30 16.439 -2.008 16.113 1.00 0.00 C ATOM 0 H THR A 30 14.579 -3.723 16.383 1.00 0.00 H new ATOM 0 HA THR A 30 14.546 -1.489 17.989 1.00 0.00 H new ATOM 0 HB THR A 30 15.152 -0.298 15.880 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.988 -2.656 14.365 1.00 0.00 H new ATOM 0 HG21 THR A 30 17.104 -1.714 15.300 1.00 0.00 H new ATOM 0 HG22 THR A 30 16.850 -1.661 17.061 1.00 0.00 H new ATOM 0 HG23 THR A 30 16.348 -3.094 16.133 1.00 0.00 H new ATOM 515 N ILE A 31 12.179 -1.241 15.700 1.00 0.00 N ATOM 516 CA ILE A 31 10.865 -0.691 15.429 1.00 0.00 C ATOM 517 C ILE A 31 9.783 -1.390 16.265 1.00 0.00 C ATOM 518 O ILE A 31 8.838 -0.756 16.740 1.00 0.00 O ATOM 519 CB ILE A 31 10.537 -0.772 13.930 1.00 0.00 C ATOM 520 CG1 ILE A 31 11.485 0.154 13.155 1.00 0.00 C ATOM 521 CG2 ILE A 31 9.102 -0.293 13.706 1.00 0.00 C ATOM 522 CD1 ILE A 31 11.330 -0.092 11.652 1.00 0.00 C ATOM 0 H ILE A 31 12.595 -1.741 14.914 1.00 0.00 H new ATOM 0 HA ILE A 31 10.879 0.360 15.718 1.00 0.00 H new ATOM 0 HB ILE A 31 10.651 -1.800 13.586 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.263 1.195 13.388 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.516 -0.028 13.459 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.862 -0.348 12.644 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.415 -0.927 14.267 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.005 0.738 14.047 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.004 0.567 11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.574 -1.130 11.426 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.302 0.112 11.354 1.00 0.00 H new ATOM 534 N ASN A 32 9.871 -2.716 16.345 1.00 0.00 N ATOM 535 CA ASN A 32 8.813 -3.516 16.967 1.00 0.00 C ATOM 536 C ASN A 32 8.581 -3.098 18.401 1.00 0.00 C ATOM 537 O ASN A 32 7.437 -3.070 18.872 1.00 0.00 O ATOM 538 CB ASN A 32 9.167 -5.006 16.926 1.00 0.00 C ATOM 539 CG ASN A 32 8.038 -5.830 17.531 1.00 0.00 C ATOM 540 OD1 ASN A 32 6.999 -6.001 16.909 1.00 0.00 O ATOM 541 ND2 ASN A 32 8.174 -6.337 18.713 1.00 0.00 N ATOM 0 H ASN A 32 10.658 -3.259 15.990 1.00 0.00 H new ATOM 0 HA ASN A 32 7.899 -3.345 16.399 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.343 -5.317 15.896 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.092 -5.183 17.475 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.415 -6.879 19.126 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.040 -6.195 19.232 1.00 0.00 H new ATOM 548 N GLY A 33 9.651 -2.813 19.110 1.00 0.00 N ATOM 549 CA GLY A 33 9.531 -2.417 20.497 1.00 0.00 C ATOM 550 C GLY A 33 8.757 -1.114 20.630 1.00 0.00 C ATOM 551 O GLY A 33 7.876 -0.989 21.482 1.00 0.00 O ATOM 0 H GLY A 33 10.606 -2.847 18.754 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.027 -3.202 21.060 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.524 -2.300 20.932 1.00 0.00 H new ATOM 555 N ILE A 34 9.108 -0.131 19.814 1.00 0.00 N ATOM 556 CA ILE A 34 8.480 1.176 19.919 1.00 0.00 C ATOM 557 C ILE A 34 7.034 1.182 19.437 1.00 0.00 C ATOM 558 O ILE A 34 6.192 1.866 20.024 1.00 0.00 O ATOM 559 CB ILE A 34 9.298 2.258 19.187 1.00 0.00 C ATOM 560 CG1 ILE A 34 9.383 1.949 17.688 1.00 0.00 C ATOM 561 CG2 ILE A 34 10.717 2.294 19.753 1.00 0.00 C ATOM 562 CD1 ILE A 34 10.050 3.123 16.962 1.00 0.00 C ATOM 0 H ILE A 34 9.814 -0.211 19.082 1.00 0.00 H new ATOM 0 HA ILE A 34 8.463 1.414 20.983 1.00 0.00 H new ATOM 0 HB ILE A 34 8.803 3.218 19.332 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.955 1.035 17.526 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.385 1.777 17.284 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.296 3.059 19.236 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.678 2.526 20.817 1.00 0.00 H new ATOM 0 HG23 ILE A 34 11.190 1.323 19.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.111 2.904 15.896 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.460 4.027 17.114 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.054 3.274 17.359 1.00 0.00 H new ATOM 574 N GLU A 35 6.759 0.527 18.310 1.00 0.00 N ATOM 575 CA GLU A 35 5.427 0.644 17.726 1.00 0.00 C ATOM 576 C GLU A 35 4.369 0.099 18.645 1.00 0.00 C ATOM 577 O GLU A 35 3.439 0.800 19.015 1.00 0.00 O ATOM 578 CB GLU A 35 5.312 -0.172 16.438 1.00 0.00 C ATOM 579 CG GLU A 35 6.165 0.387 15.321 1.00 0.00 C ATOM 580 CD GLU A 35 5.966 -0.489 14.097 1.00 0.00 C ATOM 581 OE1 GLU A 35 5.970 -1.700 14.249 1.00 0.00 O ATOM 582 OE2 GLU A 35 5.768 0.052 13.035 1.00 0.00 O ATOM 0 H GLU A 35 7.413 -0.068 17.801 1.00 0.00 H new ATOM 0 HA GLU A 35 5.281 1.708 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.608 -1.202 16.636 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.270 -0.196 16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.881 1.417 15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.215 0.401 15.613 1.00 0.00 H new ATOM 589 N LYS A 36 4.472 -1.186 18.918 1.00 0.00 N ATOM 590 CA LYS A 36 3.404 -1.908 19.579 1.00 0.00 C ATOM 591 C LYS A 36 3.234 -1.491 21.022 1.00 0.00 C ATOM 592 O LYS A 36 2.129 -1.574 21.567 1.00 0.00 O ATOM 593 CB LYS A 36 3.628 -3.414 19.437 1.00 0.00 C ATOM 594 CG LYS A 36 3.572 -3.781 17.931 1.00 0.00 C ATOM 595 CD LYS A 36 4.998 -3.976 17.386 1.00 0.00 C ATOM 596 CE LYS A 36 4.956 -4.414 15.906 1.00 0.00 C ATOM 597 NZ LYS A 36 4.362 -3.339 15.066 1.00 0.00 N ATOM 0 H LYS A 36 5.288 -1.754 18.691 1.00 0.00 H new ATOM 0 HA LYS A 36 2.466 -1.652 19.086 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.593 -3.695 19.859 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.866 -3.964 19.989 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.992 -4.693 17.791 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.065 -2.993 17.374 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.560 -3.047 17.481 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.521 -4.727 17.979 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.964 -4.642 15.558 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.370 -5.328 15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.277 -3.672 14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.420 -3.094 15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.974 -2.498 15.095 1.00 0.00 H new ATOM 611 N ASN A 37 4.256 -0.866 21.576 1.00 0.00 N ATOM 612 CA ASN A 37 4.122 -0.248 22.883 1.00 0.00 C ATOM 613 C ASN A 37 3.122 0.881 22.798 1.00 0.00 C ATOM 614 O ASN A 37 2.441 1.199 23.777 1.00 0.00 O ATOM 615 CB ASN A 37 5.455 0.322 23.379 1.00 0.00 C ATOM 616 CG ASN A 37 6.361 -0.757 23.964 1.00 0.00 C ATOM 617 OD1 ASN A 37 7.552 -0.508 24.166 1.00 0.00 O ATOM 618 ND2 ASN A 37 5.883 -1.935 24.255 1.00 0.00 N ATOM 0 H ASN A 37 5.177 -0.773 21.149 1.00 0.00 H new ATOM 0 HA ASN A 37 3.790 -1.015 23.583 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.967 0.815 22.553 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.264 1.083 24.136 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.494 -2.650 24.650 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.898 -2.141 24.088 1.00 0.00 H new ATOM 625 N LYS A 38 3.192 1.615 21.694 1.00 0.00 N ATOM 626 CA LYS A 38 2.444 2.844 21.544 1.00 0.00 C ATOM 627 C LYS A 38 1.272 2.679 20.570 1.00 0.00 C ATOM 628 O LYS A 38 0.129 3.003 20.899 1.00 0.00 O ATOM 629 CB LYS A 38 3.399 3.894 20.967 1.00 0.00 C ATOM 630 CG LYS A 38 4.712 3.910 21.770 1.00 0.00 C ATOM 631 CD LYS A 38 5.737 4.790 21.045 1.00 0.00 C ATOM 632 CE LYS A 38 7.101 4.676 21.733 1.00 0.00 C ATOM 633 NZ LYS A 38 6.976 5.056 23.159 1.00 0.00 N ATOM 0 H LYS A 38 3.766 1.372 20.887 1.00 0.00 H new ATOM 0 HA LYS A 38 2.042 3.135 22.515 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.606 3.673 19.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.932 4.878 20.998 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.533 4.293 22.775 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.098 2.896 21.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.819 4.484 20.002 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.404 5.828 21.047 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.476 3.656 21.650 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.824 5.323 21.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.921 5.241 23.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.393 5.914 23.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.526 4.281 23.687 1.00 0.00 H new ATOM 647 N TYR A 39 1.595 2.297 19.341 1.00 0.00 N ATOM 648 CA TYR A 39 0.625 2.245 18.249 1.00 0.00 C ATOM 649 C TYR A 39 0.509 0.850 17.650 1.00 0.00 C ATOM 650 O TYR A 39 1.358 -0.012 17.873 1.00 0.00 O ATOM 651 CB TYR A 39 1.042 3.210 17.126 1.00 0.00 C ATOM 652 CG TYR A 39 1.635 4.471 17.705 1.00 0.00 C ATOM 653 CD1 TYR A 39 0.809 5.460 18.245 1.00 0.00 C ATOM 654 CD2 TYR A 39 3.024 4.645 17.700 1.00 0.00 C ATOM 655 CE1 TYR A 39 1.374 6.624 18.778 1.00 0.00 C ATOM 656 CE2 TYR A 39 3.587 5.804 18.230 1.00 0.00 C ATOM 657 CZ TYR A 39 2.764 6.795 18.770 1.00 0.00 C ATOM 658 OH TYR A 39 3.323 7.933 19.291 1.00 0.00 O ATOM 0 H TYR A 39 2.537 2.014 19.071 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.339 2.529 18.671 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.769 2.726 16.474 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.177 3.457 16.511 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.263 5.327 18.251 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.661 3.879 17.284 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.738 7.391 19.196 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.659 5.936 18.223 1.00 0.00 H new ATOM 0 HH TYR A 39 4.298 7.887 19.205 1.00 0.00 H new ATOM 668 N ASN A 40 -0.360 0.756 16.662 1.00 0.00 N ATOM 669 CA ASN A 40 -0.363 -0.370 15.740 1.00 0.00 C ATOM 670 C ASN A 40 0.860 -0.208 14.817 1.00 0.00 C ATOM 671 O ASN A 40 1.651 0.722 15.021 1.00 0.00 O ATOM 672 CB ASN A 40 -1.685 -0.403 14.938 1.00 0.00 C ATOM 673 CG ASN A 40 -1.708 0.648 13.819 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.581 0.596 12.945 1.00 0.00 O ATOM 675 ND2 ASN A 40 -0.818 1.602 13.792 1.00 0.00 N ATOM 0 H ASN A 40 -1.081 1.452 16.474 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.298 -1.318 16.275 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.822 -1.394 14.506 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.523 -0.231 15.614 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.844 2.303 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.097 1.647 14.512 1.00 0.00 H new ATOM 682 N PRO A 41 1.048 -1.049 13.822 1.00 0.00 N ATOM 683 CA PRO A 41 2.261 -0.894 12.942 1.00 0.00 C ATOM 684 C PRO A 41 2.333 0.520 12.370 1.00 0.00 C ATOM 685 O PRO A 41 1.304 1.124 12.059 1.00 0.00 O ATOM 686 CB PRO A 41 2.017 -1.900 11.809 1.00 0.00 C ATOM 687 CG PRO A 41 1.085 -2.901 12.390 1.00 0.00 C ATOM 688 CD PRO A 41 0.160 -2.113 13.307 1.00 0.00 C ATOM 0 HA PRO A 41 3.194 -1.064 13.480 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.583 -1.415 10.935 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.948 -2.366 11.485 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.521 -3.412 11.609 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.628 -3.667 12.944 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.693 -1.703 12.767 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.239 -2.732 14.110 1.00 0.00 H new ATOM 696 N SER A 42 3.533 1.063 12.287 1.00 0.00 N ATOM 697 CA SER A 42 3.699 2.427 11.822 1.00 0.00 C ATOM 698 C SER A 42 3.223 2.554 10.384 1.00 0.00 C ATOM 699 O SER A 42 3.595 1.752 9.525 1.00 0.00 O ATOM 700 CB SER A 42 5.167 2.845 11.922 1.00 0.00 C ATOM 701 OG SER A 42 5.683 2.465 13.198 1.00 0.00 O ATOM 0 H SER A 42 4.400 0.586 12.533 1.00 0.00 H new ATOM 0 HA SER A 42 3.100 3.084 12.453 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.746 2.373 11.128 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.260 3.923 11.786 1.00 0.00 H new ATOM 0 HG SER A 42 6.285 1.699 13.093 1.00 0.00 H new ATOM 707 N LEU A 43 2.471 3.601 10.112 1.00 0.00 N ATOM 708 CA LEU A 43 1.974 3.850 8.773 1.00 0.00 C ATOM 709 C LEU A 43 3.137 4.072 7.827 1.00 0.00 C ATOM 710 O LEU A 43 3.149 3.568 6.710 1.00 0.00 O ATOM 711 CB LEU A 43 1.031 5.066 8.759 1.00 0.00 C ATOM 712 CG LEU A 43 -0.384 4.666 9.240 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.063 3.759 8.206 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.305 3.939 10.592 1.00 0.00 C ATOM 0 H LEU A 43 2.189 4.296 10.803 1.00 0.00 H new ATOM 0 HA LEU A 43 1.408 2.979 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.431 5.850 9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.975 5.478 7.751 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.974 5.575 9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.058 3.486 8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.147 4.289 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.467 2.857 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.309 3.664 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.301 3.039 10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.149 4.597 11.333 1.00 0.00 H new ATOM 726 N GLN A 44 4.130 4.799 8.294 1.00 0.00 N ATOM 727 CA GLN A 44 5.315 5.061 7.493 1.00 0.00 C ATOM 728 C GLN A 44 6.037 3.748 7.189 1.00 0.00 C ATOM 729 O GLN A 44 6.338 3.445 6.032 1.00 0.00 O ATOM 730 CB GLN A 44 6.241 6.037 8.233 1.00 0.00 C ATOM 731 CG GLN A 44 5.897 7.480 7.832 1.00 0.00 C ATOM 732 CD GLN A 44 4.491 7.842 8.320 1.00 0.00 C ATOM 733 OE1 GLN A 44 4.121 7.528 9.457 1.00 0.00 O ATOM 734 NE2 GLN A 44 3.682 8.470 7.534 1.00 0.00 N ATOM 0 H GLN A 44 4.144 5.220 9.223 1.00 0.00 H new ATOM 0 HA GLN A 44 5.020 5.518 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.131 5.912 9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.282 5.820 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.627 8.168 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.953 7.588 6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.983 8.731 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.742 8.705 7.852 1.00 0.00 H new ATOM 743 N LEU A 45 6.185 2.909 8.206 1.00 0.00 N ATOM 744 CA LEU A 45 6.736 1.576 7.995 1.00 0.00 C ATOM 745 C LEU A 45 5.804 0.802 7.084 1.00 0.00 C ATOM 746 O LEU A 45 6.237 0.170 6.116 1.00 0.00 O ATOM 747 CB LEU A 45 6.927 0.831 9.329 1.00 0.00 C ATOM 748 CG LEU A 45 7.499 -0.580 9.072 1.00 0.00 C ATOM 749 CD1 LEU A 45 8.833 -0.484 8.322 1.00 0.00 C ATOM 750 CD2 LEU A 45 7.723 -1.299 10.406 1.00 0.00 C ATOM 0 H LEU A 45 5.936 3.123 9.172 1.00 0.00 H new ATOM 0 HA LEU A 45 7.718 1.666 7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.601 1.393 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.974 0.756 9.852 1.00 0.00 H new ATOM 0 HG LEU A 45 6.786 -1.140 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.225 -1.486 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.678 0.017 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.546 0.086 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.127 -2.294 10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.427 -0.730 11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.775 -1.386 10.936 1.00 0.00 H new ATOM 762 N ALA A 46 4.511 0.925 7.350 1.00 0.00 N ATOM 763 CA ALA A 46 3.512 0.294 6.518 1.00 0.00 C ATOM 764 C ALA A 46 3.668 0.778 5.091 1.00 0.00 C ATOM 765 O ALA A 46 3.610 -0.012 4.162 1.00 0.00 O ATOM 766 CB ALA A 46 2.103 0.608 7.027 1.00 0.00 C ATOM 0 H ALA A 46 4.136 1.456 8.136 1.00 0.00 H new ATOM 0 HA ALA A 46 3.654 -0.786 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.368 0.123 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.994 0.239 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.942 1.686 7.012 1.00 0.00 H new ATOM 772 N LEU A 47 3.972 2.060 4.930 1.00 0.00 N ATOM 773 CA LEU A 47 4.236 2.606 3.609 1.00 0.00 C ATOM 774 C LEU A 47 5.445 1.919 2.993 1.00 0.00 C ATOM 775 O LEU A 47 5.386 1.451 1.853 1.00 0.00 O ATOM 776 CB LEU A 47 4.452 4.133 3.678 1.00 0.00 C ATOM 777 CG LEU A 47 4.833 4.689 2.291 1.00 0.00 C ATOM 778 CD1 LEU A 47 3.751 4.345 1.268 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.988 6.217 2.368 1.00 0.00 C ATOM 0 H LEU A 47 4.041 2.734 5.692 1.00 0.00 H new ATOM 0 HA LEU A 47 3.368 2.419 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.543 4.619 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.239 4.363 4.397 1.00 0.00 H new ATOM 0 HG LEU A 47 5.776 4.239 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.032 4.743 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.645 3.262 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.803 4.784 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.257 6.605 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.046 6.663 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.770 6.468 3.084 1.00 0.00 H new ATOM 791 N LYS A 48 6.504 1.764 3.773 1.00 0.00 N ATOM 792 CA LYS A 48 7.672 1.040 3.290 1.00 0.00 C ATOM 793 C LYS A 48 7.320 -0.417 3.012 1.00 0.00 C ATOM 794 O LYS A 48 7.638 -0.941 1.943 1.00 0.00 O ATOM 795 CB LYS A 48 8.845 1.156 4.269 1.00 0.00 C ATOM 796 CG LYS A 48 9.363 2.604 4.247 1.00 0.00 C ATOM 797 CD LYS A 48 10.551 2.765 5.208 1.00 0.00 C ATOM 798 CE LYS A 48 11.128 4.185 5.078 1.00 0.00 C ATOM 799 NZ LYS A 48 10.025 5.182 5.105 1.00 0.00 N ATOM 0 H LYS A 48 6.580 2.122 4.725 1.00 0.00 H new ATOM 0 HA LYS A 48 7.990 1.496 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.526 0.884 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.641 0.466 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.667 2.872 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.563 3.287 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.230 2.584 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.320 2.026 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.826 4.380 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.689 4.275 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.412 6.122 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.557 5.207 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.333 4.915 5.834 1.00 0.00 H new ATOM 813 N ILE A 49 6.540 -1.017 3.900 1.00 0.00 N ATOM 814 CA ILE A 49 6.051 -2.374 3.679 1.00 0.00 C ATOM 815 C ILE A 49 5.172 -2.383 2.433 1.00 0.00 C ATOM 816 O ILE A 49 5.315 -3.246 1.568 1.00 0.00 O ATOM 817 CB ILE A 49 5.252 -2.870 4.909 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.187 -3.044 6.126 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.575 -4.213 4.598 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.191 -4.185 5.876 1.00 0.00 C ATOM 0 H ILE A 49 6.233 -0.591 4.774 1.00 0.00 H new ATOM 0 HA ILE A 49 6.896 -3.047 3.535 1.00 0.00 H new ATOM 0 HB ILE A 49 4.491 -2.125 5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.724 -2.114 6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.597 -3.259 7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.017 -4.550 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.893 -4.090 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.334 -4.953 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.842 -4.294 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.649 -5.116 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.793 -3.954 4.997 1.00 0.00 H new ATOM 832 N ALA A 50 4.314 -1.376 2.321 1.00 0.00 N ATOM 833 CA ALA A 50 3.451 -1.218 1.158 1.00 0.00 C ATOM 834 C ALA A 50 4.293 -1.071 -0.092 1.00 0.00 C ATOM 835 O ALA A 50 3.957 -1.606 -1.144 1.00 0.00 O ATOM 836 CB ALA A 50 2.547 0.005 1.324 1.00 0.00 C ATOM 0 H ALA A 50 4.198 -0.651 3.029 1.00 0.00 H new ATOM 0 HA ALA A 50 2.824 -2.105 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.909 0.108 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.926 -0.119 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.161 0.899 1.433 1.00 0.00 H new ATOM 842 N TYR A 51 5.406 -0.366 0.023 1.00 0.00 N ATOM 843 CA TYR A 51 6.319 -0.256 -1.103 1.00 0.00 C ATOM 844 C TYR A 51 6.838 -1.634 -1.486 1.00 0.00 C ATOM 845 O TYR A 51 6.833 -2.002 -2.665 1.00 0.00 O ATOM 846 CB TYR A 51 7.494 0.683 -0.783 1.00 0.00 C ATOM 847 CG TYR A 51 7.195 2.086 -1.275 1.00 0.00 C ATOM 848 CD1 TYR A 51 7.352 2.391 -2.633 1.00 0.00 C ATOM 849 CD2 TYR A 51 6.787 3.082 -0.381 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.098 3.681 -3.097 1.00 0.00 C ATOM 851 CE2 TYR A 51 6.535 4.379 -0.848 1.00 0.00 C ATOM 852 CZ TYR A 51 6.689 4.677 -2.207 1.00 0.00 C ATOM 853 OH TYR A 51 6.453 5.951 -2.670 1.00 0.00 O ATOM 0 H TYR A 51 5.696 0.130 0.866 1.00 0.00 H new ATOM 0 HA TYR A 51 5.771 0.170 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.674 0.698 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.404 0.311 -1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.671 1.624 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.666 2.852 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.218 3.910 -4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.222 5.149 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 51 6.175 6.524 -1.925 1.00 0.00 H new ATOM 863 N TYR A 52 7.265 -2.406 -0.491 1.00 0.00 N ATOM 864 CA TYR A 52 7.750 -3.760 -0.749 1.00 0.00 C ATOM 865 C TYR A 52 6.607 -4.677 -1.180 1.00 0.00 C ATOM 866 O TYR A 52 6.717 -5.397 -2.172 1.00 0.00 O ATOM 867 CB TYR A 52 8.421 -4.345 0.496 1.00 0.00 C ATOM 868 CG TYR A 52 9.706 -3.601 0.808 1.00 0.00 C ATOM 869 CD1 TYR A 52 10.832 -3.763 -0.007 1.00 0.00 C ATOM 870 CD2 TYR A 52 9.766 -2.747 1.916 1.00 0.00 C ATOM 871 CE1 TYR A 52 12.012 -3.069 0.287 1.00 0.00 C ATOM 872 CE2 TYR A 52 10.940 -2.055 2.209 1.00 0.00 C ATOM 873 CZ TYR A 52 12.064 -2.215 1.395 1.00 0.00 C ATOM 874 OH TYR A 52 13.224 -1.527 1.686 1.00 0.00 O ATOM 0 H TYR A 52 7.286 -2.124 0.489 1.00 0.00 H new ATOM 0 HA TYR A 52 8.481 -3.696 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.742 -4.281 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.635 -5.402 0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.791 -4.422 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.898 -2.624 2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.882 -3.193 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.981 -1.396 3.064 1.00 0.00 H new ATOM 0 HH TYR A 52 13.087 -0.979 2.487 1.00 0.00 H new ATOM 884 N LEU A 53 5.503 -4.629 -0.441 1.00 0.00 N ATOM 885 CA LEU A 53 4.325 -5.436 -0.749 1.00 0.00 C ATOM 886 C LEU A 53 3.379 -4.661 -1.639 1.00 0.00 C ATOM 887 O LEU A 53 2.695 -3.758 -1.166 1.00 0.00 O ATOM 888 CB LEU A 53 3.592 -5.833 0.545 1.00 0.00 C ATOM 889 CG LEU A 53 4.524 -6.635 1.467 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.775 -7.006 2.750 1.00 0.00 C ATOM 891 CD2 LEU A 53 4.981 -7.918 0.760 1.00 0.00 C ATOM 0 H LEU A 53 5.399 -4.035 0.382 1.00 0.00 H new ATOM 0 HA LEU A 53 4.655 -6.337 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.242 -4.939 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.711 -6.427 0.303 1.00 0.00 H new ATOM 0 HG LEU A 53 5.395 -6.027 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.435 -7.575 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.453 -6.097 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.903 -7.610 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.641 -8.481 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.111 -8.526 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.516 -7.659 -0.154 1.00 0.00 H new ATOM 903 N ASN A 54 3.282 -5.062 -2.902 1.00 0.00 N ATOM 904 CA ASN A 54 2.407 -4.387 -3.872 1.00 0.00 C ATOM 905 C ASN A 54 1.027 -4.103 -3.301 1.00 0.00 C ATOM 906 O ASN A 54 0.073 -4.862 -3.524 1.00 0.00 O ATOM 907 CB ASN A 54 2.265 -5.219 -5.145 1.00 0.00 C ATOM 908 CG ASN A 54 1.337 -4.503 -6.120 1.00 0.00 C ATOM 909 OD1 ASN A 54 1.359 -3.263 -6.210 1.00 0.00 O ATOM 910 ND2 ASN A 54 0.508 -5.195 -6.839 1.00 0.00 N ATOM 0 H ASN A 54 3.798 -5.854 -3.285 1.00 0.00 H new ATOM 0 HA ASN A 54 2.880 -3.434 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.242 -5.372 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.867 -6.205 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.128 -4.722 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.493 -6.212 -6.763 1.00 0.00 H new ATOM 917 N THR A 55 0.928 -3.014 -2.579 1.00 0.00 N ATOM 918 CA THR A 55 -0.314 -2.575 -1.994 1.00 0.00 C ATOM 919 C THR A 55 -0.150 -1.128 -1.558 1.00 0.00 C ATOM 920 O THR A 55 0.624 -0.848 -0.646 1.00 0.00 O ATOM 921 CB THR A 55 -0.643 -3.456 -0.773 1.00 0.00 C ATOM 922 OG1 THR A 55 0.352 -4.489 -0.639 1.00 0.00 O ATOM 923 CG2 THR A 55 -2.025 -4.092 -0.947 1.00 0.00 C ATOM 0 H THR A 55 1.718 -2.400 -2.379 1.00 0.00 H new ATOM 0 HA THR A 55 -1.126 -2.656 -2.717 1.00 0.00 H new ATOM 0 HB THR A 55 -0.645 -2.837 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.226 -4.081 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.251 -4.713 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.777 -3.308 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.032 -4.708 -1.847 1.00 0.00 H new ATOM 931 N PRO A 56 -0.798 -0.202 -2.206 1.00 0.00 N ATOM 932 CA PRO A 56 -0.612 1.231 -1.829 1.00 0.00 C ATOM 933 C PRO A 56 -1.037 1.488 -0.386 1.00 0.00 C ATOM 934 O PRO A 56 -2.191 1.243 -0.021 1.00 0.00 O ATOM 935 CB PRO A 56 -1.523 1.989 -2.804 1.00 0.00 C ATOM 936 CG PRO A 56 -1.672 1.071 -3.967 1.00 0.00 C ATOM 937 CD PRO A 56 -1.684 -0.337 -3.380 1.00 0.00 C ATOM 0 HA PRO A 56 0.431 1.542 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.488 2.215 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.081 2.939 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.593 1.276 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.850 1.195 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.689 -0.650 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.309 -1.075 -4.089 1.00 0.00 H new ATOM 945 N LEU A 57 -0.172 2.145 0.367 1.00 0.00 N ATOM 946 CA LEU A 57 -0.513 2.579 1.711 1.00 0.00 C ATOM 947 C LEU A 57 -1.651 3.564 1.620 1.00 0.00 C ATOM 948 O LEU A 57 -2.604 3.524 2.397 1.00 0.00 O ATOM 949 CB LEU A 57 0.707 3.234 2.383 1.00 0.00 C ATOM 950 CG LEU A 57 0.556 3.276 3.922 1.00 0.00 C ATOM 951 CD1 LEU A 57 -0.423 4.383 4.333 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.059 1.928 4.456 1.00 0.00 C ATOM 0 H LEU A 57 0.773 2.390 0.070 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.813 1.722 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.608 2.680 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.833 4.247 2.001 1.00 0.00 H new ATOM 0 HG LEU A 57 1.536 3.486 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.518 4.400 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.049 5.346 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.398 4.191 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.040 1.980 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.910 1.696 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.773 1.147 4.194 1.00 0.00 H new ATOM 964 N GLU A 58 -1.542 4.434 0.634 1.00 0.00 N ATOM 965 CA GLU A 58 -2.513 5.476 0.400 1.00 0.00 C ATOM 966 C GLU A 58 -3.881 4.882 0.118 1.00 0.00 C ATOM 967 O GLU A 58 -4.891 5.364 0.634 1.00 0.00 O ATOM 968 CB GLU A 58 -2.054 6.298 -0.797 1.00 0.00 C ATOM 969 CG GLU A 58 -0.786 7.064 -0.420 1.00 0.00 C ATOM 970 CD GLU A 58 -0.210 7.786 -1.622 1.00 0.00 C ATOM 971 OE1 GLU A 58 -0.702 7.587 -2.715 1.00 0.00 O ATOM 972 OE2 GLU A 58 0.738 8.509 -1.441 1.00 0.00 O ATOM 0 H GLU A 58 -0.769 4.434 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.593 6.104 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.860 5.646 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.838 6.993 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.012 7.783 0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.046 6.373 -0.017 1.00 0.00 H new ATOM 979 N ASP A 59 -3.911 3.838 -0.695 1.00 0.00 N ATOM 980 CA ASP A 59 -5.164 3.164 -0.996 1.00 0.00 C ATOM 981 C ASP A 59 -5.694 2.462 0.238 1.00 0.00 C ATOM 982 O ASP A 59 -6.890 2.519 0.538 1.00 0.00 O ATOM 983 CB ASP A 59 -4.975 2.139 -2.113 1.00 0.00 C ATOM 984 CG ASP A 59 -6.297 1.484 -2.423 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.169 2.166 -2.903 1.00 0.00 O ATOM 986 OD2 ASP A 59 -6.430 0.311 -2.167 1.00 0.00 O ATOM 0 H ASP A 59 -3.091 3.442 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.879 3.919 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.580 2.626 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.246 1.387 -1.811 1.00 0.00 H new ATOM 991 N ILE A 60 -4.803 1.739 0.901 1.00 0.00 N ATOM 992 CA ILE A 60 -5.141 0.965 2.091 1.00 0.00 C ATOM 993 C ILE A 60 -5.568 1.883 3.229 1.00 0.00 C ATOM 994 O ILE A 60 -6.452 1.534 4.024 1.00 0.00 O ATOM 995 CB ILE A 60 -3.930 0.116 2.514 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.664 -0.954 1.453 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.211 -0.574 3.855 1.00 0.00 C ATOM 998 CD1 ILE A 60 -2.313 -1.614 1.725 1.00 0.00 C ATOM 0 H ILE A 60 -3.822 1.671 0.630 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.978 0.307 1.857 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.062 0.767 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.456 -1.702 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.669 -0.506 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.347 -1.172 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.403 0.180 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.083 -1.220 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.122 -2.377 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.526 -0.861 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.326 -2.076 2.712 1.00 0.00 H new ATOM 1010 N PHE A 61 -4.817 2.973 3.387 1.00 0.00 N ATOM 1011 CA PHE A 61 -4.972 3.905 4.504 1.00 0.00 C ATOM 1012 C PHE A 61 -6.404 3.946 5.017 1.00 0.00 C ATOM 1013 O PHE A 61 -7.288 4.528 4.384 1.00 0.00 O ATOM 1014 CB PHE A 61 -4.526 5.319 4.089 1.00 0.00 C ATOM 1015 CG PHE A 61 -3.713 5.963 5.199 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.069 5.774 6.544 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -2.603 6.757 4.879 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -3.318 6.376 7.556 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -1.854 7.357 5.896 1.00 0.00 C ATOM 1020 CZ PHE A 61 -2.211 7.164 7.234 1.00 0.00 C ATOM 0 H PHE A 61 -4.077 3.236 2.737 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.337 3.546 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.931 5.267 3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.399 5.932 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.923 5.163 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.326 6.906 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.594 6.232 8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.000 7.969 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.630 7.625 8.019 1.00 0.00 H new