USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 17 GLN : amide:sc= -0.0165 K(o=-4.3,f=-16!) USER MOD Set 1.2: A 32 ASN : amide:sc= -2.23 K(o=-4.3,f=-16!) USER MOD Set 1.3: A 36 LYS NZ :NH3+ 179:sc= -2.05 (180deg=-0.0466) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -132:sc= -0.768 (180deg=-2.57!) USER MOD Set 2.2: A 55 THR OG1 : rot 150:sc= -1.56! USER MOD Single : A 5 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.073) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0539) USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= 0.162! (180deg=-3.02!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0894 USER MOD Single : A 27 SER OG : rot 93:sc= 0.147 USER MOD Single : A 29 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.57) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= -0.247 (180deg=-1.11) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.63 X(o=-0.63,f=-1.1) USER MOD Single : A 42 SER OG : rot 128:sc= 1.05 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0174 (180deg=-0.287) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 3.872 6.272 -1.430 1.00 0.00 N ATOM 71 CA ASN A 5 4.243 5.336 -2.489 1.00 0.00 C ATOM 72 C ASN A 5 3.727 3.936 -2.185 1.00 0.00 C ATOM 73 O ASN A 5 3.662 3.080 -3.065 1.00 0.00 O ATOM 74 CB ASN A 5 5.758 5.307 -2.699 1.00 0.00 C ATOM 75 CG ASN A 5 6.066 5.005 -4.157 1.00 0.00 C ATOM 76 OD1 ASN A 5 6.242 3.845 -4.527 1.00 0.00 O ATOM 77 ND2 ASN A 5 6.141 5.978 -5.015 1.00 0.00 N ATOM 0 HA ASN A 5 3.777 5.685 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.193 6.266 -2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.210 4.550 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.346 5.780 -5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.995 6.940 -4.709 1.00 0.00 H new ATOM 84 N LEU A 6 3.374 3.704 -0.928 1.00 0.00 N ATOM 85 CA LEU A 6 2.914 2.390 -0.488 1.00 0.00 C ATOM 86 C LEU A 6 1.641 1.977 -1.236 1.00 0.00 C ATOM 87 O LEU A 6 1.521 0.834 -1.680 1.00 0.00 O ATOM 88 CB LEU A 6 2.710 2.387 1.050 1.00 0.00 C ATOM 89 CG LEU A 6 2.392 0.974 1.614 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.884 0.765 1.702 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.032 -0.140 0.770 1.00 0.00 C ATOM 0 H LEU A 6 3.397 4.410 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 6 3.677 1.649 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.609 2.771 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.897 3.066 1.305 1.00 0.00 H new ATOM 0 HG LEU A 6 2.823 0.919 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.677 -0.229 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.450 1.517 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.445 0.858 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.784 -1.110 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.652 -0.087 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.115 -0.013 0.761 1.00 0.00 H new ATOM 103 N LYS A 7 0.718 2.914 -1.445 1.00 0.00 N ATOM 104 CA LYS A 7 -0.500 2.585 -2.193 1.00 0.00 C ATOM 105 C LYS A 7 -0.149 2.126 -3.603 1.00 0.00 C ATOM 106 O LYS A 7 -0.800 1.238 -4.161 1.00 0.00 O ATOM 107 CB LYS A 7 -1.480 3.776 -2.252 1.00 0.00 C ATOM 108 CG LYS A 7 -0.997 4.830 -3.269 1.00 0.00 C ATOM 109 CD LYS A 7 -2.088 5.891 -3.488 1.00 0.00 C ATOM 110 CE LYS A 7 -2.191 6.800 -2.264 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.076 7.954 -2.566 1.00 0.00 N ATOM 0 H LYS A 7 0.782 3.879 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.998 1.773 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.473 3.423 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.568 4.230 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.085 5.304 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.752 4.348 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.857 6.484 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.046 5.406 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.585 6.240 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.201 7.155 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.142 8.569 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.682 8.494 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.024 7.608 -2.817 1.00 0.00 H new ATOM 125 N LEU A 8 0.861 2.768 -4.179 1.00 0.00 N ATOM 126 CA LEU A 8 1.311 2.480 -5.548 1.00 0.00 C ATOM 127 C LEU A 8 1.829 1.055 -5.658 1.00 0.00 C ATOM 128 O LEU A 8 1.677 0.397 -6.690 1.00 0.00 O ATOM 129 CB LEU A 8 2.411 3.457 -5.971 1.00 0.00 C ATOM 130 CG LEU A 8 1.844 4.881 -6.049 1.00 0.00 C ATOM 131 CD1 LEU A 8 2.974 5.866 -6.338 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.803 4.963 -7.170 1.00 0.00 C ATOM 0 H LEU A 8 1.395 3.503 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 8 0.454 2.597 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.234 3.423 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.817 3.164 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 8 1.374 5.131 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.570 6.877 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.715 5.814 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.445 5.611 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.403 5.976 -7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.271 4.709 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.007 4.263 -6.966 1.00 0.00 H new ATOM 144 N ILE A 9 2.451 0.589 -4.599 1.00 0.00 N ATOM 145 CA ILE A 9 3.045 -0.735 -4.582 1.00 0.00 C ATOM 146 C ILE A 9 1.977 -1.778 -4.864 1.00 0.00 C ATOM 147 O ILE A 9 2.217 -2.765 -5.566 1.00 0.00 O ATOM 148 CB ILE A 9 3.728 -1.001 -3.234 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.928 -0.056 -3.079 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.228 -2.450 -3.182 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.957 -0.314 -4.192 1.00 0.00 C ATOM 0 H ILE A 9 2.561 1.110 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 9 3.807 -0.795 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 9 3.012 -0.832 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.591 0.980 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.392 -0.203 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.712 -2.634 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.384 -3.130 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.943 -2.617 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.803 0.363 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.306 -1.345 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.493 -0.143 -5.163 1.00 0.00 H new ATOM 163 N ARG A 10 0.811 -1.564 -4.313 1.00 0.00 N ATOM 164 CA ARG A 10 -0.297 -2.488 -4.474 1.00 0.00 C ATOM 165 C ARG A 10 -0.532 -2.731 -5.964 1.00 0.00 C ATOM 166 O ARG A 10 -0.852 -3.845 -6.371 1.00 0.00 O ATOM 167 CB ARG A 10 -1.550 -1.831 -3.934 1.00 0.00 C ATOM 168 CG ARG A 10 -1.396 -1.529 -2.450 1.00 0.00 C ATOM 169 CD ARG A 10 -2.622 -0.739 -2.009 1.00 0.00 C ATOM 170 NE ARG A 10 -2.733 0.478 -2.828 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.799 1.270 -2.761 1.00 0.00 C ATOM 172 NH1 ARG A 10 -4.669 1.090 -1.818 1.00 0.00 N ATOM 173 NH2 ARG A 10 -3.948 2.248 -3.617 1.00 0.00 N ATOM 0 H ARG A 10 0.596 -0.748 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.074 -3.420 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.749 -0.909 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.407 -2.485 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.310 -2.453 -1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.486 -0.957 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.520 -1.348 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.540 -0.476 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.973 0.720 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.533 0.345 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.490 1.693 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.245 2.405 -4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.767 2.853 -3.562 1.00 0.00 H new ATOM 187 N GLU A 11 -0.432 -1.660 -6.763 1.00 0.00 N ATOM 188 CA GLU A 11 -0.696 -1.756 -8.197 1.00 0.00 C ATOM 189 C GLU A 11 0.341 -2.655 -8.844 1.00 0.00 C ATOM 190 O GLU A 11 0.013 -3.650 -9.484 1.00 0.00 O ATOM 191 CB GLU A 11 -0.591 -0.369 -8.849 1.00 0.00 C ATOM 192 CG GLU A 11 -1.563 0.602 -8.181 1.00 0.00 C ATOM 193 CD GLU A 11 -1.524 1.967 -8.860 1.00 0.00 C ATOM 194 OE1 GLU A 11 -0.927 2.076 -9.914 1.00 0.00 O ATOM 195 OE2 GLU A 11 -2.093 2.883 -8.324 1.00 0.00 O ATOM 0 H GLU A 11 -0.173 -0.728 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.698 -2.160 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.428 0.007 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.812 -0.442 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.574 0.198 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.309 0.709 -7.126 1.00 0.00 H new ATOM 202 N LYS A 12 1.595 -2.341 -8.590 1.00 0.00 N ATOM 203 CA LYS A 12 2.703 -3.141 -9.102 1.00 0.00 C ATOM 204 C LYS A 12 2.651 -4.529 -8.506 1.00 0.00 C ATOM 205 O LYS A 12 2.920 -5.524 -9.189 1.00 0.00 O ATOM 206 CB LYS A 12 4.072 -2.470 -8.840 1.00 0.00 C ATOM 207 CG LYS A 12 4.012 -1.569 -7.590 1.00 0.00 C ATOM 208 CD LYS A 12 4.605 -0.182 -7.891 1.00 0.00 C ATOM 209 CE LYS A 12 3.751 0.555 -8.938 1.00 0.00 C ATOM 210 NZ LYS A 12 4.294 1.923 -9.152 1.00 0.00 N ATOM 0 H LYS A 12 1.879 -1.536 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 12 2.595 -3.216 -10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.837 -3.235 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.363 -1.877 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.978 -1.464 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.562 -2.036 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.654 0.406 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.626 -0.288 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.752 0.002 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.716 0.612 -8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.650 2.460 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.382 2.409 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.230 1.859 -9.602 1.00 0.00 H new ATOM 224 N LYS A 13 2.234 -4.606 -7.255 1.00 0.00 N ATOM 225 CA LYS A 13 2.032 -5.882 -6.600 1.00 0.00 C ATOM 226 C LYS A 13 0.669 -6.458 -6.998 1.00 0.00 C ATOM 227 O LYS A 13 0.307 -7.563 -6.590 1.00 0.00 O ATOM 228 CB LYS A 13 2.182 -5.755 -5.075 1.00 0.00 C ATOM 229 CG LYS A 13 2.608 -7.117 -4.486 1.00 0.00 C ATOM 230 CD LYS A 13 3.846 -6.949 -3.581 1.00 0.00 C ATOM 231 CE LYS A 13 5.117 -6.902 -4.448 1.00 0.00 C ATOM 232 NZ LYS A 13 6.190 -6.161 -3.739 1.00 0.00 N ATOM 0 H LYS A 13 2.028 -3.795 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 13 2.804 -6.577 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.924 -4.994 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.240 -5.433 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.786 -7.545 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.832 -7.815 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.759 -6.034 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.907 -7.776 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.451 -7.915 -4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.899 -6.419 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.615 -5.464 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.787 -5.670 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.921 -6.829 -3.421 1.00 0.00 H new ATOM 246 N LYS A 14 -0.043 -5.707 -7.846 1.00 0.00 N ATOM 247 CA LYS A 14 -1.334 -6.098 -8.432 1.00 0.00 C ATOM 248 C LYS A 14 -2.332 -6.644 -7.413 1.00 0.00 C ATOM 249 O LYS A 14 -3.096 -7.569 -7.725 1.00 0.00 O ATOM 250 CB LYS A 14 -1.134 -7.091 -9.599 1.00 0.00 C ATOM 251 CG LYS A 14 -0.655 -8.458 -9.069 1.00 0.00 C ATOM 252 CD LYS A 14 0.841 -8.644 -9.365 1.00 0.00 C ATOM 253 CE LYS A 14 1.348 -9.890 -8.632 1.00 0.00 C ATOM 254 NZ LYS A 14 1.121 -9.734 -7.168 1.00 0.00 N ATOM 0 H LYS A 14 0.270 -4.786 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.776 -5.180 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.070 -7.213 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.404 -6.691 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.832 -8.523 -7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.228 -9.259 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.001 -8.748 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.400 -7.765 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.830 -10.776 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.409 -10.036 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.948 -10.092 -6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.980 -8.728 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.277 -10.273 -6.888 1.00 0.00 H new ATOM 268 N ILE A 15 -2.377 -6.050 -6.232 1.00 0.00 N ATOM 269 CA ILE A 15 -3.326 -6.485 -5.208 1.00 0.00 C ATOM 270 C ILE A 15 -4.190 -5.336 -4.672 1.00 0.00 C ATOM 271 O ILE A 15 -3.688 -4.249 -4.385 1.00 0.00 O ATOM 272 CB ILE A 15 -2.603 -7.232 -4.082 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.479 -6.369 -3.495 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.007 -8.542 -4.624 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.898 -7.084 -2.272 1.00 0.00 C ATOM 0 H ILE A 15 -1.777 -5.273 -5.956 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.018 -7.179 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.326 -7.453 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.701 -6.203 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.864 -5.389 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.494 -9.069 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.806 -9.170 -5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.297 -8.317 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.097 -6.481 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.682 -7.227 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.501 -8.054 -2.572 1.00 0.00 H new ATOM 287 N SER A 16 -5.499 -5.568 -4.624 1.00 0.00 N ATOM 288 CA SER A 16 -6.470 -4.555 -4.211 1.00 0.00 C ATOM 289 C SER A 16 -6.579 -4.461 -2.683 1.00 0.00 C ATOM 290 O SER A 16 -6.351 -5.443 -1.974 1.00 0.00 O ATOM 291 CB SER A 16 -7.836 -4.879 -4.818 1.00 0.00 C ATOM 292 OG SER A 16 -7.664 -5.261 -6.187 1.00 0.00 O ATOM 0 H SER A 16 -5.918 -6.465 -4.870 1.00 0.00 H new ATOM 0 HA SER A 16 -6.125 -3.587 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.313 -5.685 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.493 -4.012 -4.750 1.00 0.00 H new ATOM 0 HG SER A 16 -8.537 -5.471 -6.580 1.00 0.00 H new ATOM 298 N GLN A 17 -7.004 -3.298 -2.189 1.00 0.00 N ATOM 299 CA GLN A 17 -7.168 -3.076 -0.748 1.00 0.00 C ATOM 300 C GLN A 17 -8.038 -4.143 -0.136 1.00 0.00 C ATOM 301 O GLN A 17 -7.775 -4.613 0.969 1.00 0.00 O ATOM 302 CB GLN A 17 -7.844 -1.730 -0.499 1.00 0.00 C ATOM 303 CG GLN A 17 -6.878 -0.583 -0.775 1.00 0.00 C ATOM 304 CD GLN A 17 -5.823 -0.534 0.314 1.00 0.00 C ATOM 305 OE1 GLN A 17 -4.633 -0.489 0.014 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.184 -0.532 1.560 1.00 0.00 N ATOM 0 H GLN A 17 -7.242 -2.491 -2.766 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.176 -3.100 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.722 -1.635 -1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.193 -1.678 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.405 -0.718 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.420 0.362 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.174 -0.569 1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.478 -0.493 2.295 1.00 0.00 H new ATOM 315 N SER A 18 -9.082 -4.504 -0.840 1.00 0.00 N ATOM 316 CA SER A 18 -10.024 -5.476 -0.344 1.00 0.00 C ATOM 317 C SER A 18 -9.314 -6.777 -0.032 1.00 0.00 C ATOM 318 O SER A 18 -9.552 -7.404 1.010 1.00 0.00 O ATOM 319 CB SER A 18 -11.105 -5.704 -1.399 1.00 0.00 C ATOM 320 OG SER A 18 -10.516 -5.567 -2.698 1.00 0.00 O ATOM 0 H SER A 18 -9.302 -4.136 -1.766 1.00 0.00 H new ATOM 0 HA SER A 18 -10.483 -5.106 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.541 -6.696 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.914 -4.984 -1.273 1.00 0.00 H new ATOM 0 HG SER A 18 -11.200 -5.713 -3.384 1.00 0.00 H new ATOM 326 N GLU A 19 -8.419 -7.168 -0.915 1.00 0.00 N ATOM 327 CA GLU A 19 -7.660 -8.379 -0.719 1.00 0.00 C ATOM 328 C GLU A 19 -6.670 -8.192 0.423 1.00 0.00 C ATOM 329 O GLU A 19 -6.546 -9.050 1.300 1.00 0.00 O ATOM 330 CB GLU A 19 -6.932 -8.744 -2.011 1.00 0.00 C ATOM 331 CG GLU A 19 -7.977 -8.902 -3.124 1.00 0.00 C ATOM 332 CD GLU A 19 -8.976 -9.982 -2.761 1.00 0.00 C ATOM 333 OE1 GLU A 19 -8.572 -11.110 -2.620 1.00 0.00 O ATOM 334 OE2 GLU A 19 -10.137 -9.659 -2.609 1.00 0.00 O ATOM 0 H GLU A 19 -8.201 -6.663 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.336 -9.193 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.212 -7.969 -2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.371 -9.670 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.495 -7.956 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.483 -9.155 -4.062 1.00 0.00 H new ATOM 341 N LEU A 20 -6.029 -7.027 0.448 1.00 0.00 N ATOM 342 CA LEU A 20 -5.099 -6.681 1.522 1.00 0.00 C ATOM 343 C LEU A 20 -5.827 -6.610 2.849 1.00 0.00 C ATOM 344 O LEU A 20 -5.378 -7.158 3.850 1.00 0.00 O ATOM 345 CB LEU A 20 -4.433 -5.326 1.233 1.00 0.00 C ATOM 346 CG LEU A 20 -3.211 -5.500 0.310 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.580 -6.323 -0.925 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.717 -4.122 -0.140 1.00 0.00 C ATOM 0 H LEU A 20 -6.136 -6.304 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.334 -7.456 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.154 -4.654 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.124 -4.861 2.169 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.429 -6.021 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.704 -6.434 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.930 -7.308 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.370 -5.815 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.853 -4.241 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.512 -3.609 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.434 -3.534 0.733 1.00 0.00 H new ATOM 360 N ALA A 21 -6.982 -5.978 2.839 1.00 0.00 N ATOM 361 CA ALA A 21 -7.793 -5.879 4.035 1.00 0.00 C ATOM 362 C ALA A 21 -8.270 -7.256 4.453 1.00 0.00 C ATOM 363 O ALA A 21 -8.344 -7.566 5.645 1.00 0.00 O ATOM 364 CB ALA A 21 -8.976 -4.943 3.812 1.00 0.00 C ATOM 0 H ALA A 21 -7.380 -5.525 2.016 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.183 -5.462 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.571 -4.884 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.610 -3.949 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.594 -5.325 3.000 1.00 0.00 H new ATOM 370 N ALA A 22 -8.561 -8.092 3.464 1.00 0.00 N ATOM 371 CA ALA A 22 -8.988 -9.459 3.728 1.00 0.00 C ATOM 372 C ALA A 22 -7.926 -10.197 4.514 1.00 0.00 C ATOM 373 O ALA A 22 -8.240 -11.079 5.293 1.00 0.00 O ATOM 374 CB ALA A 22 -9.283 -10.207 2.426 1.00 0.00 C ATOM 0 H ALA A 22 -8.509 -7.848 2.475 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.906 -9.416 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.599 -11.225 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.077 -9.694 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.383 -10.236 1.811 1.00 0.00 H new ATOM 380 N LEU A 23 -6.670 -9.815 4.326 1.00 0.00 N ATOM 381 CA LEU A 23 -5.576 -10.442 5.061 1.00 0.00 C ATOM 382 C LEU A 23 -5.764 -10.179 6.548 1.00 0.00 C ATOM 383 O LEU A 23 -5.496 -11.042 7.393 1.00 0.00 O ATOM 384 CB LEU A 23 -4.221 -9.855 4.624 1.00 0.00 C ATOM 385 CG LEU A 23 -3.919 -10.212 3.156 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.648 -9.490 2.706 1.00 0.00 C ATOM 387 CD2 LEU A 23 -3.712 -11.719 3.013 1.00 0.00 C ATOM 0 H LEU A 23 -6.383 -9.081 3.678 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.583 -11.512 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.233 -8.772 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.429 -10.239 5.267 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.762 -9.903 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.434 -9.743 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.790 -8.413 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.812 -9.799 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.499 -11.960 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.874 -12.032 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.615 -12.242 3.329 1.00 0.00 H new ATOM 399 N LEU A 24 -6.188 -8.962 6.855 1.00 0.00 N ATOM 400 CA LEU A 24 -6.360 -8.521 8.230 1.00 0.00 C ATOM 401 C LEU A 24 -7.600 -9.166 8.839 1.00 0.00 C ATOM 402 O LEU A 24 -7.651 -9.428 10.043 1.00 0.00 O ATOM 403 CB LEU A 24 -6.477 -6.990 8.269 1.00 0.00 C ATOM 404 CG LEU A 24 -5.204 -6.370 7.655 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.309 -4.846 7.624 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.972 -6.781 8.462 1.00 0.00 C ATOM 0 H LEU A 24 -6.422 -8.254 6.159 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.493 -8.825 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.358 -6.666 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.603 -6.649 9.296 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.105 -6.739 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.402 -4.428 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.170 -4.553 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.431 -4.469 8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.081 -6.337 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.077 -6.433 9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.878 -7.867 8.455 1.00 0.00 H new ATOM 418 N GLU A 25 -8.577 -9.463 7.987 1.00 0.00 N ATOM 419 CA GLU A 25 -9.806 -10.153 8.401 1.00 0.00 C ATOM 420 C GLU A 25 -10.522 -9.411 9.537 1.00 0.00 C ATOM 421 O GLU A 25 -11.189 -10.036 10.370 1.00 0.00 O ATOM 422 CB GLU A 25 -9.473 -11.579 8.864 1.00 0.00 C ATOM 423 CG GLU A 25 -8.950 -12.409 7.684 1.00 0.00 C ATOM 424 CD GLU A 25 -8.571 -13.809 8.133 1.00 0.00 C ATOM 425 OE1 GLU A 25 -8.631 -14.072 9.310 1.00 0.00 O ATOM 426 OE2 GLU A 25 -8.231 -14.601 7.294 1.00 0.00 O ATOM 0 H GLU A 25 -8.545 -9.236 6.993 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.472 -10.181 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.725 -11.547 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.362 -12.050 9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.713 -12.466 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.083 -11.917 7.244 1.00 0.00 H new ATOM 433 N VAL A 26 -10.370 -8.099 9.583 1.00 0.00 N ATOM 434 CA VAL A 26 -10.959 -7.297 10.653 1.00 0.00 C ATOM 435 C VAL A 26 -11.682 -6.069 10.103 1.00 0.00 C ATOM 436 O VAL A 26 -11.773 -5.880 8.880 1.00 0.00 O ATOM 437 CB VAL A 26 -9.876 -6.881 11.666 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.524 -8.070 12.559 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.621 -6.427 10.928 1.00 0.00 C ATOM 0 H VAL A 26 -9.844 -7.562 8.894 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.701 -7.912 11.162 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.258 -6.061 12.275 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.758 -7.773 13.275 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.414 -8.398 13.096 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.149 -8.888 11.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.860 -6.134 11.651 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.244 -7.245 10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.862 -5.576 10.290 1.00 0.00 H new ATOM 449 N SER A 27 -12.148 -5.218 11.014 1.00 0.00 N ATOM 450 CA SER A 27 -12.858 -3.985 10.672 1.00 0.00 C ATOM 451 C SER A 27 -12.098 -3.203 9.611 1.00 0.00 C ATOM 452 O SER A 27 -12.666 -2.339 8.929 1.00 0.00 O ATOM 453 CB SER A 27 -12.998 -3.132 11.928 1.00 0.00 C ATOM 454 OG SER A 27 -12.912 -3.985 13.071 1.00 0.00 O ATOM 0 H SER A 27 -12.043 -5.364 12.018 1.00 0.00 H new ATOM 0 HA SER A 27 -13.841 -4.239 10.276 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.214 -2.376 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.951 -2.603 11.922 1.00 0.00 H new ATOM 0 HG SER A 27 -11.983 -4.024 13.381 1.00 0.00 H new ATOM 460 N ARG A 28 -10.831 -3.551 9.439 1.00 0.00 N ATOM 461 CA ARG A 28 -9.977 -2.913 8.461 1.00 0.00 C ATOM 462 C ARG A 28 -10.666 -2.892 7.110 1.00 0.00 C ATOM 463 O ARG A 28 -10.658 -1.880 6.425 1.00 0.00 O ATOM 464 CB ARG A 28 -8.651 -3.676 8.353 1.00 0.00 C ATOM 465 CG ARG A 28 -7.609 -3.065 9.311 1.00 0.00 C ATOM 466 CD ARG A 28 -8.142 -3.010 10.757 1.00 0.00 C ATOM 467 NE ARG A 28 -7.058 -2.639 11.669 1.00 0.00 N ATOM 468 CZ ARG A 28 -7.269 -2.056 12.856 1.00 0.00 C ATOM 469 NH1 ARG A 28 -8.484 -1.797 13.255 1.00 0.00 N ATOM 470 NH2 ARG A 28 -6.256 -1.765 13.620 1.00 0.00 N ATOM 0 H ARG A 28 -10.370 -4.285 9.977 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.778 -1.889 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.807 -4.727 8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.282 -3.636 7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.694 -3.656 9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.351 -2.060 8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.954 -2.286 10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.553 -3.979 11.040 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.097 -2.834 11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.278 -2.039 12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.640 -1.353 14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.307 -1.981 13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.411 -1.321 14.525 1.00 0.00 H new ATOM 484 N GLN A 29 -11.337 -3.984 6.768 1.00 0.00 N ATOM 485 CA GLN A 29 -12.080 -4.035 5.514 1.00 0.00 C ATOM 486 C GLN A 29 -13.186 -2.982 5.507 1.00 0.00 C ATOM 487 O GLN A 29 -13.379 -2.271 4.521 1.00 0.00 O ATOM 488 CB GLN A 29 -12.685 -5.428 5.303 1.00 0.00 C ATOM 489 CG GLN A 29 -11.571 -6.448 5.050 1.00 0.00 C ATOM 490 CD GLN A 29 -12.160 -7.843 4.931 1.00 0.00 C ATOM 491 OE1 GLN A 29 -12.801 -8.320 5.865 1.00 0.00 O ATOM 492 NE2 GLN A 29 -11.997 -8.523 3.839 1.00 0.00 N ATOM 0 H GLN A 29 -11.383 -4.834 7.330 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.388 -3.826 4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.264 -5.719 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.373 -5.411 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.033 -6.192 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.848 -6.418 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.465 -8.125 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.401 -9.456 3.754 1.00 0.00 H new ATOM 501 N THR A 30 -13.884 -2.866 6.621 1.00 0.00 N ATOM 502 CA THR A 30 -14.931 -1.868 6.765 1.00 0.00 C ATOM 503 C THR A 30 -14.349 -0.442 6.769 1.00 0.00 C ATOM 504 O THR A 30 -14.875 0.456 6.107 1.00 0.00 O ATOM 505 CB THR A 30 -15.751 -2.149 8.028 1.00 0.00 C ATOM 506 OG1 THR A 30 -16.120 -3.535 8.037 1.00 0.00 O ATOM 507 CG2 THR A 30 -17.023 -1.291 8.026 1.00 0.00 C ATOM 0 H THR A 30 -13.745 -3.453 7.444 1.00 0.00 H new ATOM 0 HA THR A 30 -15.596 -1.934 5.904 1.00 0.00 H new ATOM 0 HB THR A 30 -15.158 -1.908 8.910 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.644 -3.729 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.601 -1.496 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.750 -0.236 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.622 -1.531 7.148 1.00 0.00 H new ATOM 515 N ILE A 31 -13.271 -0.239 7.525 1.00 0.00 N ATOM 516 CA ILE A 31 -12.642 1.085 7.625 1.00 0.00 C ATOM 517 C ILE A 31 -11.790 1.393 6.396 1.00 0.00 C ATOM 518 O ILE A 31 -11.429 2.544 6.153 1.00 0.00 O ATOM 519 CB ILE A 31 -11.814 1.227 8.911 1.00 0.00 C ATOM 520 CG1 ILE A 31 -10.707 0.184 8.934 1.00 0.00 C ATOM 521 CG2 ILE A 31 -12.712 1.023 10.134 1.00 0.00 C ATOM 522 CD1 ILE A 31 -9.779 0.448 10.115 1.00 0.00 C ATOM 0 H ILE A 31 -12.815 -0.966 8.075 1.00 0.00 H new ATOM 0 HA ILE A 31 -13.449 1.817 7.668 1.00 0.00 H new ATOM 0 HB ILE A 31 -11.378 2.226 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.136 -0.815 9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.144 0.217 8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.118 1.125 11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.504 1.771 10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.154 0.027 10.099 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.987 -0.300 10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.339 1.440 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.347 0.393 11.044 1.00 0.00 H new ATOM 534 N ASN A 32 -11.447 0.355 5.643 1.00 0.00 N ATOM 535 CA ASN A 32 -10.610 0.507 4.450 1.00 0.00 C ATOM 536 C ASN A 32 -11.047 1.718 3.646 1.00 0.00 C ATOM 537 O ASN A 32 -10.239 2.351 2.960 1.00 0.00 O ATOM 538 CB ASN A 32 -10.697 -0.757 3.581 1.00 0.00 C ATOM 539 CG ASN A 32 -9.929 -0.577 2.272 1.00 0.00 C ATOM 540 OD1 ASN A 32 -8.768 -0.161 2.273 1.00 0.00 O ATOM 541 ND2 ASN A 32 -10.510 -0.859 1.145 1.00 0.00 N ATOM 0 H ASN A 32 -11.734 -0.605 5.835 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.577 0.652 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.293 -1.608 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.741 -0.983 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.006 -0.736 0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.470 -1.203 1.138 1.00 0.00 H new ATOM 548 N GLY A 33 -12.324 2.034 3.712 1.00 0.00 N ATOM 549 CA GLY A 33 -12.847 3.200 3.025 1.00 0.00 C ATOM 550 C GLY A 33 -12.370 4.497 3.685 1.00 0.00 C ATOM 551 O GLY A 33 -11.935 5.431 3.000 1.00 0.00 O ATOM 0 H GLY A 33 -13.020 1.501 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.530 3.183 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.937 3.168 3.028 1.00 0.00 H new ATOM 555 N ILE A 34 -12.481 4.562 5.007 1.00 0.00 N ATOM 556 CA ILE A 34 -12.135 5.772 5.750 1.00 0.00 C ATOM 557 C ILE A 34 -10.639 6.085 5.663 1.00 0.00 C ATOM 558 O ILE A 34 -10.244 7.249 5.493 1.00 0.00 O ATOM 559 CB ILE A 34 -12.611 5.657 7.229 1.00 0.00 C ATOM 560 CG1 ILE A 34 -12.971 7.045 7.800 1.00 0.00 C ATOM 561 CG2 ILE A 34 -11.547 4.990 8.118 1.00 0.00 C ATOM 562 CD1 ILE A 34 -11.748 7.975 7.794 1.00 0.00 C ATOM 0 H ILE A 34 -12.808 3.791 5.589 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.658 6.610 5.288 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.501 5.028 7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.773 7.489 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.346 6.938 8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.915 4.928 9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.339 3.987 7.746 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.632 5.582 8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.028 8.947 8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.957 7.540 8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.390 8.099 6.772 1.00 0.00 H new ATOM 574 N GLU A 35 -9.811 5.053 5.775 1.00 0.00 N ATOM 575 CA GLU A 35 -8.362 5.244 5.786 1.00 0.00 C ATOM 576 C GLU A 35 -7.904 6.043 4.572 1.00 0.00 C ATOM 577 O GLU A 35 -7.245 7.072 4.715 1.00 0.00 O ATOM 578 CB GLU A 35 -7.654 3.877 5.797 1.00 0.00 C ATOM 579 CG GLU A 35 -7.858 3.185 7.154 1.00 0.00 C ATOM 580 CD GLU A 35 -7.070 3.910 8.233 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.869 4.017 8.093 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.674 4.347 9.188 1.00 0.00 O ATOM 0 H GLU A 35 -10.113 4.082 5.859 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.101 5.802 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.047 3.249 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.589 4.009 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.917 3.175 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.535 2.146 7.093 1.00 0.00 H new ATOM 589 N LYS A 36 -8.294 5.590 3.389 1.00 0.00 N ATOM 590 CA LYS A 36 -7.915 6.268 2.152 1.00 0.00 C ATOM 591 C LYS A 36 -8.791 7.476 1.864 1.00 0.00 C ATOM 592 O LYS A 36 -8.410 8.355 1.088 1.00 0.00 O ATOM 593 CB LYS A 36 -7.935 5.303 0.960 1.00 0.00 C ATOM 594 CG LYS A 36 -9.261 4.532 0.920 1.00 0.00 C ATOM 595 CD LYS A 36 -9.322 3.701 -0.364 1.00 0.00 C ATOM 596 CE LYS A 36 -10.633 2.916 -0.421 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.610 1.842 0.607 1.00 0.00 N ATOM 0 H LYS A 36 -8.871 4.759 3.257 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.896 6.626 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.802 5.858 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.102 4.604 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.344 3.883 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.100 5.226 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.242 4.354 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.476 3.015 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.477 3.583 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.768 2.483 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.508 1.318 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.823 1.191 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.483 2.265 1.548 1.00 0.00 H new ATOM 611 N ASN A 37 -9.991 7.492 2.424 1.00 0.00 N ATOM 612 CA ASN A 37 -10.909 8.597 2.168 1.00 0.00 C ATOM 613 C ASN A 37 -10.341 9.904 2.665 1.00 0.00 C ATOM 614 O ASN A 37 -10.370 10.908 1.953 1.00 0.00 O ATOM 615 CB ASN A 37 -12.267 8.347 2.834 1.00 0.00 C ATOM 616 CG ASN A 37 -13.064 9.651 2.917 1.00 0.00 C ATOM 617 OD1 ASN A 37 -13.596 9.977 3.972 1.00 0.00 O ATOM 618 ND2 ASN A 37 -13.162 10.428 1.885 1.00 0.00 N ATOM 0 H ASN A 37 -10.349 6.769 3.047 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.047 8.659 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -12.828 7.605 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.120 7.938 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.679 11.304 1.954 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.722 10.163 1.004 1.00 0.00 H new ATOM 625 N LYS A 38 -9.848 9.902 3.889 1.00 0.00 N ATOM 626 CA LYS A 38 -9.317 11.119 4.485 1.00 0.00 C ATOM 627 C LYS A 38 -7.798 11.180 4.388 1.00 0.00 C ATOM 628 O LYS A 38 -7.223 12.234 4.088 1.00 0.00 O ATOM 629 CB LYS A 38 -9.747 11.222 5.955 1.00 0.00 C ATOM 630 CG LYS A 38 -11.284 11.293 6.079 1.00 0.00 C ATOM 631 CD LYS A 38 -11.817 12.564 5.392 1.00 0.00 C ATOM 632 CE LYS A 38 -13.337 12.688 5.615 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.646 12.523 7.063 1.00 0.00 N ATOM 0 H LYS A 38 -9.803 9.078 4.489 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.724 11.961 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.374 10.360 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.301 12.108 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.734 10.410 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.571 11.292 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.310 13.442 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.600 12.528 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.688 13.660 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.863 11.932 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.532 13.018 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.749 11.512 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.872 12.924 7.631 1.00 0.00 H new ATOM 647 N TYR A 39 -7.156 10.090 4.757 1.00 0.00 N ATOM 648 CA TYR A 39 -5.702 10.051 4.869 1.00 0.00 C ATOM 649 C TYR A 39 -5.115 9.116 3.835 1.00 0.00 C ATOM 650 O TYR A 39 -5.841 8.528 3.027 1.00 0.00 O ATOM 651 CB TYR A 39 -5.298 9.547 6.269 1.00 0.00 C ATOM 652 CG TYR A 39 -6.384 9.866 7.275 1.00 0.00 C ATOM 653 CD1 TYR A 39 -6.457 11.132 7.858 1.00 0.00 C ATOM 654 CD2 TYR A 39 -7.325 8.884 7.618 1.00 0.00 C ATOM 655 CE1 TYR A 39 -7.460 11.419 8.784 1.00 0.00 C ATOM 656 CE2 TYR A 39 -8.330 9.172 8.545 1.00 0.00 C ATOM 657 CZ TYR A 39 -8.398 10.440 9.126 1.00 0.00 C ATOM 658 OH TYR A 39 -9.388 10.724 10.037 1.00 0.00 O ATOM 0 H TYR A 39 -7.618 9.210 4.987 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.321 11.059 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.124 8.471 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.361 10.013 6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.736 11.891 7.592 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.273 7.905 7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.512 12.398 9.237 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.053 8.415 8.812 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.955 9.935 10.160 1.00 0.00 H new ATOM 668 N ASN A 40 -3.820 8.889 3.945 1.00 0.00 N ATOM 669 CA ASN A 40 -3.159 7.859 3.167 1.00 0.00 C ATOM 670 C ASN A 40 -3.214 6.570 3.976 1.00 0.00 C ATOM 671 O ASN A 40 -3.483 6.612 5.186 1.00 0.00 O ATOM 672 CB ASN A 40 -1.697 8.255 2.841 1.00 0.00 C ATOM 673 CG ASN A 40 -0.696 7.418 3.642 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.068 6.636 3.068 1.00 0.00 O ATOM 675 ND2 ASN A 40 -0.648 7.542 4.931 1.00 0.00 N ATOM 0 H ASN A 40 -3.202 9.407 4.569 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.663 7.726 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.512 8.123 1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.548 9.312 3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.021 6.994 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.279 8.188 5.405 1.00 0.00 H new ATOM 682 N PRO A 41 -3.014 5.438 3.366 1.00 0.00 N ATOM 683 CA PRO A 41 -3.109 4.158 4.127 1.00 0.00 C ATOM 684 C PRO A 41 -2.153 4.170 5.313 1.00 0.00 C ATOM 685 O PRO A 41 -0.990 4.577 5.189 1.00 0.00 O ATOM 686 CB PRO A 41 -2.686 3.095 3.101 1.00 0.00 C ATOM 687 CG PRO A 41 -2.959 3.727 1.778 1.00 0.00 C ATOM 688 CD PRO A 41 -2.629 5.202 1.965 1.00 0.00 C ATOM 0 HA PRO A 41 -4.103 3.979 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.633 2.836 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.255 2.174 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.345 3.282 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.000 3.590 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.572 5.406 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.191 5.834 1.277 1.00 0.00 H new ATOM 696 N SER A 42 -2.635 3.724 6.457 1.00 0.00 N ATOM 697 CA SER A 42 -1.814 3.698 7.645 1.00 0.00 C ATOM 698 C SER A 42 -0.724 2.649 7.507 1.00 0.00 C ATOM 699 O SER A 42 -0.989 1.516 7.097 1.00 0.00 O ATOM 700 CB SER A 42 -2.685 3.418 8.864 1.00 0.00 C ATOM 701 OG SER A 42 -3.673 4.449 8.971 1.00 0.00 O ATOM 0 H SER A 42 -3.586 3.377 6.586 1.00 0.00 H new ATOM 0 HA SER A 42 -1.335 4.669 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.165 2.444 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.073 3.386 9.766 1.00 0.00 H new ATOM 0 HG SER A 42 -4.563 4.044 9.040 1.00 0.00 H new ATOM 707 N LEU A 43 0.493 3.017 7.856 1.00 0.00 N ATOM 708 CA LEU A 43 1.612 2.099 7.731 1.00 0.00 C ATOM 709 C LEU A 43 1.396 0.893 8.633 1.00 0.00 C ATOM 710 O LEU A 43 1.682 -0.238 8.250 1.00 0.00 O ATOM 711 CB LEU A 43 2.944 2.793 8.052 1.00 0.00 C ATOM 712 CG LEU A 43 4.109 1.989 7.441 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.969 1.947 5.913 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.432 2.661 7.795 1.00 0.00 C ATOM 0 H LEU A 43 0.733 3.937 8.226 1.00 0.00 H new ATOM 0 HA LEU A 43 1.664 1.760 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.942 3.808 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.072 2.874 9.131 1.00 0.00 H new ATOM 0 HG LEU A 43 4.087 0.975 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.795 1.377 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.025 1.471 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.987 2.963 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.256 2.093 7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.443 3.676 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.544 2.696 8.879 1.00 0.00 H new ATOM 726 N GLN A 44 0.842 1.134 9.819 1.00 0.00 N ATOM 727 CA GLN A 44 0.586 0.050 10.768 1.00 0.00 C ATOM 728 C GLN A 44 -0.228 -1.036 10.080 1.00 0.00 C ATOM 729 O GLN A 44 0.069 -2.227 10.204 1.00 0.00 O ATOM 730 CB GLN A 44 -0.212 0.572 11.974 1.00 0.00 C ATOM 731 CG GLN A 44 0.631 1.558 12.792 1.00 0.00 C ATOM 732 CD GLN A 44 -0.193 2.089 13.962 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.787 1.309 14.712 1.00 0.00 O ATOM 734 NE2 GLN A 44 -0.274 3.366 14.168 1.00 0.00 N ATOM 0 H GLN A 44 0.564 2.060 10.145 1.00 0.00 H new ATOM 0 HA GLN A 44 1.541 -0.348 11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.123 1.062 11.630 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.518 -0.263 12.604 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.530 1.064 13.162 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.958 2.384 12.160 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.215 4.014 13.551 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.827 3.723 14.947 1.00 0.00 H new ATOM 743 N LEU A 45 -1.203 -0.616 9.292 1.00 0.00 N ATOM 744 CA LEU A 45 -2.007 -1.542 8.514 1.00 0.00 C ATOM 745 C LEU A 45 -1.113 -2.257 7.514 1.00 0.00 C ATOM 746 O LEU A 45 -1.252 -3.456 7.273 1.00 0.00 O ATOM 747 CB LEU A 45 -3.110 -0.779 7.758 1.00 0.00 C ATOM 748 CG LEU A 45 -4.120 -0.186 8.752 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.106 0.718 8.009 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.891 -1.312 9.435 1.00 0.00 C ATOM 0 H LEU A 45 -1.457 0.365 9.174 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.471 -2.266 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.667 0.017 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.620 -1.451 7.067 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.582 0.396 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.821 1.137 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.562 1.527 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.639 0.135 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.607 -0.888 10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.423 -1.896 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.194 -1.958 9.970 1.00 0.00 H new ATOM 762 N ALA A 46 -0.205 -1.494 6.925 1.00 0.00 N ATOM 763 CA ALA A 46 0.703 -1.999 5.910 1.00 0.00 C ATOM 764 C ALA A 46 1.611 -3.103 6.443 1.00 0.00 C ATOM 765 O ALA A 46 1.996 -3.998 5.698 1.00 0.00 O ATOM 766 CB ALA A 46 1.552 -0.863 5.335 1.00 0.00 C ATOM 0 H ALA A 46 -0.078 -0.505 7.139 1.00 0.00 H new ATOM 0 HA ALA A 46 0.087 -2.429 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.226 -1.261 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.901 -0.114 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.135 -0.404 6.134 1.00 0.00 H new ATOM 772 N LEU A 47 2.026 -2.997 7.698 1.00 0.00 N ATOM 773 CA LEU A 47 3.005 -3.952 8.235 1.00 0.00 C ATOM 774 C LEU A 47 2.477 -5.378 8.189 1.00 0.00 C ATOM 775 O LEU A 47 3.199 -6.297 7.791 1.00 0.00 O ATOM 776 CB LEU A 47 3.404 -3.599 9.685 1.00 0.00 C ATOM 777 CG LEU A 47 4.585 -2.607 9.712 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.825 -3.238 9.069 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.226 -1.315 8.980 1.00 0.00 C ATOM 0 H LEU A 47 1.714 -2.281 8.354 1.00 0.00 H new ATOM 0 HA LEU A 47 3.888 -3.883 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.550 -3.166 10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.676 -4.508 10.222 1.00 0.00 H new ATOM 0 HG LEU A 47 4.803 -2.369 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.650 -2.527 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.103 -4.137 9.620 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.605 -3.500 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.074 -0.631 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.981 -1.541 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.366 -0.850 9.463 1.00 0.00 H new ATOM 791 N LYS A 48 1.230 -5.568 8.570 1.00 0.00 N ATOM 792 CA LYS A 48 0.641 -6.901 8.531 1.00 0.00 C ATOM 793 C LYS A 48 0.516 -7.415 7.101 1.00 0.00 C ATOM 794 O LYS A 48 0.853 -8.563 6.812 1.00 0.00 O ATOM 795 CB LYS A 48 -0.717 -6.917 9.233 1.00 0.00 C ATOM 796 CG LYS A 48 -0.511 -6.729 10.743 1.00 0.00 C ATOM 797 CD LYS A 48 -1.868 -6.727 11.457 1.00 0.00 C ATOM 798 CE LYS A 48 -1.658 -6.504 12.958 1.00 0.00 C ATOM 799 NZ LYS A 48 -0.982 -7.694 13.549 1.00 0.00 N ATOM 0 H LYS A 48 0.609 -4.832 8.906 1.00 0.00 H new ATOM 0 HA LYS A 48 1.312 -7.573 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.352 -6.123 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.228 -7.860 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.116 -7.530 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.012 -5.792 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.504 -5.942 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.381 -7.674 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.055 -5.611 13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.617 -6.336 13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.095 -7.679 14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.409 -8.562 13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.030 -7.672 13.311 1.00 0.00 H new ATOM 813 N ILE A 49 0.077 -6.545 6.202 1.00 0.00 N ATOM 814 CA ILE A 49 -0.072 -6.918 4.800 1.00 0.00 C ATOM 815 C ILE A 49 1.275 -6.926 4.088 1.00 0.00 C ATOM 816 O ILE A 49 1.452 -7.611 3.074 1.00 0.00 O ATOM 817 CB ILE A 49 -1.072 -5.994 4.088 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.593 -4.545 4.173 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.448 -6.108 4.756 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.519 -3.647 3.345 1.00 0.00 C ATOM 0 H ILE A 49 -0.181 -5.582 6.415 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.471 -7.932 4.764 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.146 -6.292 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.584 -4.215 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.430 -4.467 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.154 -5.451 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.799 -7.138 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.369 -5.816 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.175 -2.614 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.506 -3.972 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.535 -3.715 3.734 1.00 0.00 H new ATOM 832 N ALA A 50 2.236 -6.189 4.642 1.00 0.00 N ATOM 833 CA ALA A 50 3.573 -6.135 4.074 1.00 0.00 C ATOM 834 C ALA A 50 4.127 -7.537 3.952 1.00 0.00 C ATOM 835 O ALA A 50 4.915 -7.826 3.056 1.00 0.00 O ATOM 836 CB ALA A 50 4.503 -5.280 4.945 1.00 0.00 C ATOM 0 H ALA A 50 2.110 -5.624 5.482 1.00 0.00 H new ATOM 0 HA ALA A 50 3.514 -5.677 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.497 -5.255 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.109 -4.266 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.564 -5.711 5.944 1.00 0.00 H new ATOM 842 N TYR A 51 3.650 -8.422 4.820 1.00 0.00 N ATOM 843 CA TYR A 51 4.048 -9.820 4.777 1.00 0.00 C ATOM 844 C TYR A 51 3.652 -10.390 3.420 1.00 0.00 C ATOM 845 O TYR A 51 4.484 -10.927 2.685 1.00 0.00 O ATOM 846 CB TYR A 51 3.294 -10.579 5.885 1.00 0.00 C ATOM 847 CG TYR A 51 3.746 -12.023 5.968 1.00 0.00 C ATOM 848 CD1 TYR A 51 3.170 -12.997 5.142 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.731 -12.387 6.886 1.00 0.00 C ATOM 850 CE1 TYR A 51 3.589 -14.330 5.241 1.00 0.00 C ATOM 851 CE2 TYR A 51 5.144 -13.716 6.987 1.00 0.00 C ATOM 852 CZ TYR A 51 4.576 -14.686 6.168 1.00 0.00 C ATOM 853 OH TYR A 51 4.982 -16.000 6.281 1.00 0.00 O ATOM 0 H TYR A 51 2.987 -8.194 5.561 1.00 0.00 H new ATOM 0 HA TYR A 51 5.123 -9.919 4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.461 -10.088 6.844 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.222 -10.542 5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.405 -12.721 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.176 -11.636 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.151 -15.083 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.905 -13.992 7.702 1.00 0.00 H new ATOM 0 HH TYR A 51 5.674 -16.070 6.971 1.00 0.00 H new ATOM 863 N TYR A 52 2.394 -10.166 3.048 1.00 0.00 N ATOM 864 CA TYR A 52 1.907 -10.552 1.732 1.00 0.00 C ATOM 865 C TYR A 52 2.549 -9.671 0.663 1.00 0.00 C ATOM 866 O TYR A 52 3.058 -10.159 -0.354 1.00 0.00 O ATOM 867 CB TYR A 52 0.378 -10.444 1.664 1.00 0.00 C ATOM 868 CG TYR A 52 -0.104 -11.007 0.344 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.344 -12.380 0.226 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.308 -10.166 -0.755 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.786 -12.913 -0.983 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.751 -10.703 -1.969 1.00 0.00 C ATOM 873 CZ TYR A 52 -0.991 -12.077 -2.082 1.00 0.00 C ATOM 874 OH TYR A 52 -1.427 -12.608 -3.280 1.00 0.00 O ATOM 0 H TYR A 52 1.695 -9.719 3.642 1.00 0.00 H new ATOM 0 HA TYR A 52 2.182 -11.591 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.074 -10.990 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.071 -9.403 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.186 -13.029 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.124 -9.105 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.970 -13.974 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.908 -10.056 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.520 -11.891 -3.941 1.00 0.00 H new ATOM 884 N LEU A 53 2.546 -8.362 0.919 1.00 0.00 N ATOM 885 CA LEU A 53 3.149 -7.394 0.008 1.00 0.00 C ATOM 886 C LEU A 53 4.657 -7.507 0.058 1.00 0.00 C ATOM 887 O LEU A 53 5.331 -6.651 0.647 1.00 0.00 O ATOM 888 CB LEU A 53 2.737 -5.963 0.397 1.00 0.00 C ATOM 889 CG LEU A 53 1.326 -5.637 -0.100 1.00 0.00 C ATOM 890 CD1 LEU A 53 0.715 -4.548 0.793 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.413 -5.100 -1.533 1.00 0.00 C ATOM 0 H LEU A 53 2.130 -7.949 1.754 1.00 0.00 H new ATOM 0 HA LEU A 53 2.798 -7.607 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.778 -5.852 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.447 -5.251 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 53 0.710 -6.536 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.290 -4.312 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.667 -4.906 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.334 -3.652 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.412 -4.865 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.025 -4.198 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.864 -5.854 -2.178 1.00 0.00 H new ATOM 903 N ASN A 54 5.188 -8.538 -0.582 1.00 0.00 N ATOM 904 CA ASN A 54 6.632 -8.756 -0.604 1.00 0.00 C ATOM 905 C ASN A 54 7.346 -7.522 -1.131 1.00 0.00 C ATOM 906 O ASN A 54 7.579 -7.389 -2.335 1.00 0.00 O ATOM 907 CB ASN A 54 6.984 -9.976 -1.458 1.00 0.00 C ATOM 908 CG ASN A 54 7.880 -10.913 -0.653 1.00 0.00 C ATOM 909 OD1 ASN A 54 9.102 -10.799 -0.709 1.00 0.00 O ATOM 910 ND2 ASN A 54 7.353 -11.818 0.107 1.00 0.00 N ATOM 0 H ASN A 54 4.646 -9.236 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 54 6.964 -8.944 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.075 -10.495 -1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.492 -9.662 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.952 -12.434 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.339 -11.915 0.156 1.00 0.00 H new ATOM 917 N THR A 55 7.584 -6.580 -0.240 1.00 0.00 N ATOM 918 CA THR A 55 8.163 -5.299 -0.587 1.00 0.00 C ATOM 919 C THR A 55 8.638 -4.594 0.687 1.00 0.00 C ATOM 920 O THR A 55 7.812 -4.204 1.524 1.00 0.00 O ATOM 921 CB THR A 55 7.082 -4.429 -1.268 1.00 0.00 C ATOM 922 OG1 THR A 55 5.941 -5.231 -1.603 1.00 0.00 O ATOM 923 CG2 THR A 55 7.645 -3.768 -2.526 1.00 0.00 C ATOM 0 H THR A 55 7.379 -6.684 0.754 1.00 0.00 H new ATOM 0 HA THR A 55 9.006 -5.447 -1.261 1.00 0.00 H new ATOM 0 HB THR A 55 6.774 -3.649 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.132 -4.678 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.872 -3.159 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.492 -3.136 -2.257 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.974 -4.537 -3.225 1.00 0.00 H new ATOM 931 N PRO A 56 9.924 -4.391 0.849 1.00 0.00 N ATOM 932 CA PRO A 56 10.428 -3.648 2.045 1.00 0.00 C ATOM 933 C PRO A 56 9.865 -2.233 2.050 1.00 0.00 C ATOM 934 O PRO A 56 9.897 -1.543 1.027 1.00 0.00 O ATOM 935 CB PRO A 56 11.948 -3.631 1.841 1.00 0.00 C ATOM 936 CG PRO A 56 12.221 -4.817 0.979 1.00 0.00 C ATOM 937 CD PRO A 56 11.034 -4.914 0.031 1.00 0.00 C ATOM 0 HA PRO A 56 10.138 -4.100 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.274 -2.708 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.477 -3.701 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.154 -4.695 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.320 -5.723 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 56 11.187 -4.322 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.853 -5.940 -0.288 1.00 0.00 H new ATOM 945 N LEU A 57 9.350 -1.801 3.183 1.00 0.00 N ATOM 946 CA LEU A 57 8.728 -0.489 3.261 1.00 0.00 C ATOM 947 C LEU A 57 9.728 0.623 3.001 1.00 0.00 C ATOM 948 O LEU A 57 9.413 1.609 2.321 1.00 0.00 O ATOM 949 CB LEU A 57 8.026 -0.287 4.608 1.00 0.00 C ATOM 950 CG LEU A 57 6.843 -1.267 4.726 1.00 0.00 C ATOM 951 CD1 LEU A 57 6.171 -1.109 6.091 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.819 -1.007 3.608 1.00 0.00 C ATOM 0 H LEU A 57 9.348 -2.330 4.055 1.00 0.00 H new ATOM 0 HA LEU A 57 7.974 -0.443 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.730 -0.450 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.671 0.740 4.694 1.00 0.00 H new ATOM 0 HG LEU A 57 7.221 -2.285 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.335 -1.805 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.894 -1.321 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.804 -0.088 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.989 -1.707 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.444 0.013 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.297 -1.143 2.638 1.00 0.00 H new ATOM 964 N GLU A 58 10.921 0.481 3.547 1.00 0.00 N ATOM 965 CA GLU A 58 11.937 1.507 3.412 1.00 0.00 C ATOM 966 C GLU A 58 12.250 1.748 1.945 1.00 0.00 C ATOM 967 O GLU A 58 12.361 2.897 1.496 1.00 0.00 O ATOM 968 CB GLU A 58 13.213 1.091 4.152 1.00 0.00 C ATOM 969 CG GLU A 58 12.926 0.951 5.658 1.00 0.00 C ATOM 970 CD GLU A 58 12.341 -0.417 5.985 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.046 -1.164 5.071 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.215 -0.713 7.144 1.00 0.00 O ATOM 0 H GLU A 58 11.210 -0.334 4.088 1.00 0.00 H new ATOM 0 HA GLU A 58 11.557 2.430 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.582 0.146 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.995 1.832 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.847 1.099 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.232 1.730 5.972 1.00 0.00 H new ATOM 979 N ASP A 59 12.337 0.667 1.186 1.00 0.00 N ATOM 980 CA ASP A 59 12.568 0.774 -0.241 1.00 0.00 C ATOM 981 C ASP A 59 11.384 1.427 -0.917 1.00 0.00 C ATOM 982 O ASP A 59 11.541 2.198 -1.867 1.00 0.00 O ATOM 983 CB ASP A 59 12.845 -0.587 -0.870 1.00 0.00 C ATOM 984 CG ASP A 59 13.393 -0.384 -2.267 1.00 0.00 C ATOM 985 OD1 ASP A 59 14.410 0.267 -2.390 1.00 0.00 O ATOM 986 OD2 ASP A 59 12.795 -0.874 -3.196 1.00 0.00 O ATOM 0 H ASP A 59 12.251 -0.288 1.534 1.00 0.00 H new ATOM 0 HA ASP A 59 13.452 1.395 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.559 -1.144 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.930 -1.178 -0.907 1.00 0.00 H new ATOM 991 N ILE A 60 10.195 1.096 -0.441 1.00 0.00 N ATOM 992 CA ILE A 60 8.971 1.652 -0.992 1.00 0.00 C ATOM 993 C ILE A 60 8.936 3.163 -0.783 1.00 0.00 C ATOM 994 O ILE A 60 8.627 3.914 -1.705 1.00 0.00 O ATOM 995 CB ILE A 60 7.753 0.993 -0.327 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.672 -0.478 -0.747 1.00 0.00 C ATOM 997 CG2 ILE A 60 6.463 1.707 -0.748 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.633 -1.199 0.113 1.00 0.00 C ATOM 0 H ILE A 60 10.052 0.442 0.329 1.00 0.00 H new ATOM 0 HA ILE A 60 8.941 1.450 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 60 7.865 1.065 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.402 -0.552 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.646 -0.953 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.609 1.228 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.510 2.753 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.351 1.648 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.576 -2.246 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.923 -1.137 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.659 -0.729 -0.023 1.00 0.00 H new