USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 69 THR OG1 : rot 143:sc= -1.6! USER MOD Set 1.2: A 72 LYS NZ :NH3+ -173:sc= 0.521 (180deg=-0.323) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 155:sc= 0.00118 (180deg=0) USER MOD Set 2.2: A 26 ASN : amide:sc= -0.358 K(o=-0.36,f=-2.7!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.24 K(o=-2.2,f=-5.7!) USER MOD Single : A 34 THR OG1 : rot 147:sc= 0.918 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -179:sc= -2.3 (180deg=-2.33) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 44 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.3!) USER MOD Single : A 50 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00461 X(o=-0.0046,f=-0.46) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) USER MOD Single : A 81 GLN : amide:sc= -3.43 X(o=-3.4,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.063 -14.397 6.247 1.00 0.00 N ATOM 24 CA GLU A 4 3.768 -13.205 6.687 1.00 0.00 C ATOM 25 C GLU A 4 4.555 -12.594 5.527 1.00 0.00 C ATOM 26 O GLU A 4 4.948 -11.430 5.583 1.00 0.00 O ATOM 27 CB GLU A 4 4.687 -13.517 7.870 1.00 0.00 C ATOM 28 CG GLU A 4 4.221 -12.789 9.133 1.00 0.00 C ATOM 29 CD GLU A 4 4.270 -13.716 10.350 1.00 0.00 C ATOM 30 OE1 GLU A 4 5.364 -13.809 10.949 1.00 0.00 O ATOM 31 OE2 GLU A 4 3.213 -14.310 10.653 1.00 0.00 O ATOM 0 HA GLU A 4 3.032 -12.475 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.702 -14.592 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.708 -13.220 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.852 -11.918 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.204 -12.422 8.991 1.00 0.00 H new ATOM 38 N ALA A 5 4.763 -13.407 4.501 1.00 0.00 N ATOM 39 CA ALA A 5 5.496 -12.961 3.329 1.00 0.00 C ATOM 40 C ALA A 5 4.629 -11.986 2.531 1.00 0.00 C ATOM 41 O ALA A 5 5.111 -11.338 1.603 1.00 0.00 O ATOM 42 CB ALA A 5 5.923 -14.175 2.501 1.00 0.00 C ATOM 0 H ALA A 5 4.436 -14.372 4.458 1.00 0.00 H new ATOM 0 HA ALA A 5 6.403 -12.431 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.473 -13.840 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.561 -14.821 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.039 -14.730 2.187 1.00 0.00 H new ATOM 48 N ILE A 6 3.365 -11.913 2.921 1.00 0.00 N ATOM 49 CA ILE A 6 2.426 -11.027 2.252 1.00 0.00 C ATOM 50 C ILE A 6 2.411 -9.674 2.967 1.00 0.00 C ATOM 51 O ILE A 6 2.515 -8.629 2.327 1.00 0.00 O ATOM 52 CB ILE A 6 1.049 -11.685 2.151 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.888 -12.418 0.817 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.065 -10.662 2.381 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.513 -13.017 0.687 1.00 0.00 C ATOM 0 H ILE A 6 2.969 -12.452 3.691 1.00 0.00 H new ATOM 0 HA ILE A 6 2.741 -10.842 1.225 1.00 0.00 H new ATOM 0 HB ILE A 6 0.968 -12.432 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.070 -11.727 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.634 -13.209 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.034 -11.156 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.042 -10.225 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.002 -9.875 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.601 -13.532 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.682 -13.726 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.255 -12.221 0.740 1.00 0.00 H new ATOM 67 N LYS A 7 2.280 -9.738 4.284 1.00 0.00 N ATOM 68 CA LYS A 7 2.250 -8.531 5.091 1.00 0.00 C ATOM 69 C LYS A 7 3.599 -7.818 4.987 1.00 0.00 C ATOM 70 O LYS A 7 3.655 -6.589 4.956 1.00 0.00 O ATOM 71 CB LYS A 7 1.838 -8.859 6.528 1.00 0.00 C ATOM 72 CG LYS A 7 0.908 -7.782 7.091 1.00 0.00 C ATOM 73 CD LYS A 7 1.375 -7.322 8.474 1.00 0.00 C ATOM 74 CE LYS A 7 0.475 -7.890 9.573 1.00 0.00 C ATOM 75 NZ LYS A 7 1.288 -8.354 10.720 1.00 0.00 N ATOM 0 H LYS A 7 2.194 -10.607 4.812 1.00 0.00 H new ATOM 0 HA LYS A 7 1.495 -7.841 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.338 -9.827 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.726 -8.942 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.879 -6.930 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.108 -8.172 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.404 -7.642 8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.369 -6.233 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.230 -7.128 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.113 -8.718 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.662 -8.737 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.944 -9.096 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.830 -7.555 11.107 1.00 0.00 H new ATOM 89 N ASN A 8 4.653 -8.618 4.935 1.00 0.00 N ATOM 90 CA ASN A 8 5.998 -8.079 4.834 1.00 0.00 C ATOM 91 C ASN A 8 6.219 -7.531 3.423 1.00 0.00 C ATOM 92 O ASN A 8 6.511 -6.348 3.251 1.00 0.00 O ATOM 93 CB ASN A 8 7.047 -9.164 5.088 1.00 0.00 C ATOM 94 CG ASN A 8 8.231 -8.607 5.881 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.390 -7.409 6.050 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.050 -9.539 6.357 1.00 0.00 N ATOM 0 H ASN A 8 4.603 -9.636 4.961 1.00 0.00 H new ATOM 0 HA ASN A 8 6.103 -7.293 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.595 -9.991 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.398 -9.565 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.870 -9.268 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.859 -10.525 6.179 1.00 0.00 H new ATOM 103 N GLY A 9 6.070 -8.416 2.448 1.00 0.00 N ATOM 104 CA GLY A 9 6.249 -8.035 1.058 1.00 0.00 C ATOM 105 C GLY A 9 5.497 -6.740 0.743 1.00 0.00 C ATOM 106 O GLY A 9 6.005 -5.882 0.024 1.00 0.00 O ATOM 0 H GLY A 9 5.827 -9.396 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.310 -7.904 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.891 -8.834 0.409 1.00 0.00 H new ATOM 110 N VAL A 10 4.297 -6.641 1.296 1.00 0.00 N ATOM 111 CA VAL A 10 3.469 -5.466 1.083 1.00 0.00 C ATOM 112 C VAL A 10 4.164 -4.242 1.686 1.00 0.00 C ATOM 113 O VAL A 10 4.415 -3.262 0.988 1.00 0.00 O ATOM 114 CB VAL A 10 2.070 -5.701 1.655 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.350 -4.374 1.906 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.247 -6.606 0.737 1.00 0.00 C ATOM 0 H VAL A 10 3.878 -7.355 1.891 1.00 0.00 H new ATOM 0 HA VAL A 10 3.342 -5.276 0.017 1.00 0.00 H new ATOM 0 HB VAL A 10 2.181 -6.208 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.358 -4.570 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.922 -3.778 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.256 -3.828 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.257 -6.757 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.150 -6.138 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.747 -7.569 0.631 1.00 0.00 H new ATOM 126 N LEU A 11 4.454 -4.342 2.975 1.00 0.00 N ATOM 127 CA LEU A 11 5.114 -3.255 3.678 1.00 0.00 C ATOM 128 C LEU A 11 6.456 -2.959 3.006 1.00 0.00 C ATOM 129 O LEU A 11 6.867 -1.803 2.914 1.00 0.00 O ATOM 130 CB LEU A 11 5.230 -3.576 5.170 1.00 0.00 C ATOM 131 CG LEU A 11 4.750 -2.486 6.130 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.345 -2.682 7.526 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.048 -1.093 5.571 1.00 0.00 C ATOM 0 H LEU A 11 4.244 -5.158 3.550 1.00 0.00 H new ATOM 0 HA LEU A 11 4.519 -2.344 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.663 -4.485 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.274 -3.796 5.394 1.00 0.00 H new ATOM 0 HG LEU A 11 3.668 -2.570 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.987 -1.893 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.040 -3.652 7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.433 -2.641 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.697 -0.337 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.122 -0.982 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.537 -0.967 4.616 1.00 0.00 H new ATOM 145 N ASP A 12 7.102 -4.024 2.554 1.00 0.00 N ATOM 146 CA ASP A 12 8.390 -3.892 1.894 1.00 0.00 C ATOM 147 C ASP A 12 8.207 -3.145 0.572 1.00 0.00 C ATOM 148 O ASP A 12 9.001 -2.269 0.234 1.00 0.00 O ATOM 149 CB ASP A 12 8.991 -5.264 1.581 1.00 0.00 C ATOM 150 CG ASP A 12 10.517 -5.338 1.677 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.150 -4.276 1.495 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.015 -6.457 1.931 1.00 0.00 O ATOM 0 H ASP A 12 6.758 -4.981 2.632 1.00 0.00 H new ATOM 0 HA ASP A 12 9.057 -3.349 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.563 -5.996 2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.691 -5.555 0.574 1.00 0.00 H new ATOM 157 N ILE A 13 7.154 -3.519 -0.141 1.00 0.00 N ATOM 158 CA ILE A 13 6.855 -2.895 -1.420 1.00 0.00 C ATOM 159 C ILE A 13 6.331 -1.477 -1.180 1.00 0.00 C ATOM 160 O ILE A 13 6.329 -0.650 -2.090 1.00 0.00 O ATOM 161 CB ILE A 13 5.904 -3.772 -2.235 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.683 -4.758 -3.111 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.937 -2.918 -3.056 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.062 -6.155 -3.049 1.00 0.00 C ATOM 0 H ILE A 13 6.497 -4.246 0.143 1.00 0.00 H new ATOM 0 HA ILE A 13 7.760 -2.804 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 13 5.304 -4.361 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.692 -4.405 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.721 -4.802 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.272 -3.567 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.347 -2.292 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.502 -2.286 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.634 -6.836 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.077 -6.514 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.032 -6.111 -3.403 1.00 0.00 H new ATOM 176 N LEU A 14 5.898 -1.241 0.051 1.00 0.00 N ATOM 177 CA LEU A 14 5.373 0.062 0.421 1.00 0.00 C ATOM 178 C LEU A 14 6.525 0.964 0.866 1.00 0.00 C ATOM 179 O LEU A 14 6.586 2.132 0.485 1.00 0.00 O ATOM 180 CB LEU A 14 4.267 -0.086 1.468 1.00 0.00 C ATOM 181 CG LEU A 14 2.835 -0.142 0.930 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.469 1.158 0.211 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.634 -1.367 0.037 1.00 0.00 C ATOM 0 H LEU A 14 5.900 -1.930 0.803 1.00 0.00 H new ATOM 0 HA LEU A 14 4.906 0.543 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.455 -0.995 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.340 0.749 2.165 1.00 0.00 H new ATOM 0 HG LEU A 14 2.155 -0.245 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.447 1.092 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.549 1.993 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.150 1.316 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.609 -1.384 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.323 -1.319 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.827 -2.272 0.612 1.00 0.00 H new ATOM 195 N ALA A 15 7.410 0.389 1.667 1.00 0.00 N ATOM 196 CA ALA A 15 8.557 1.127 2.168 1.00 0.00 C ATOM 197 C ALA A 15 9.539 1.374 1.021 1.00 0.00 C ATOM 198 O ALA A 15 10.116 2.455 0.916 1.00 0.00 O ATOM 199 CB ALA A 15 9.194 0.355 3.325 1.00 0.00 C ATOM 0 H ALA A 15 7.356 -0.580 1.982 1.00 0.00 H new ATOM 0 HA ALA A 15 8.250 2.099 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.055 0.908 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.464 0.231 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.518 -0.625 2.974 1.00 0.00 H new ATOM 205 N ASP A 16 9.699 0.353 0.191 1.00 0.00 N ATOM 206 CA ASP A 16 10.601 0.447 -0.944 1.00 0.00 C ATOM 207 C ASP A 16 10.034 1.440 -1.961 1.00 0.00 C ATOM 208 O ASP A 16 10.772 1.982 -2.782 1.00 0.00 O ATOM 209 CB ASP A 16 10.753 -0.907 -1.640 1.00 0.00 C ATOM 210 CG ASP A 16 11.981 -1.037 -2.544 1.00 0.00 C ATOM 211 OD1 ASP A 16 13.056 -1.365 -1.997 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.816 -0.803 -3.761 1.00 0.00 O ATOM 0 H ASP A 16 9.219 -0.543 0.282 1.00 0.00 H new ATOM 0 HA ASP A 16 11.573 0.775 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.797 -1.686 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.860 -1.094 -2.237 1.00 0.00 H new ATOM 217 N LEU A 17 8.728 1.648 -1.873 1.00 0.00 N ATOM 218 CA LEU A 17 8.054 2.566 -2.774 1.00 0.00 C ATOM 219 C LEU A 17 8.391 4.004 -2.376 1.00 0.00 C ATOM 220 O LEU A 17 8.998 4.742 -3.152 1.00 0.00 O ATOM 221 CB LEU A 17 6.553 2.274 -2.813 1.00 0.00 C ATOM 222 CG LEU A 17 5.669 3.382 -3.388 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.114 2.986 -4.757 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.557 3.761 -2.406 1.00 0.00 C ATOM 0 H LEU A 17 8.119 1.196 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 17 8.408 2.426 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.394 1.369 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.218 2.059 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 17 6.285 4.269 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.489 3.791 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.939 2.805 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.518 2.079 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.943 4.551 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.936 2.888 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.999 4.115 -1.475 1.00 0.00 H new ATOM 236 N THR A 18 7.983 4.360 -1.167 1.00 0.00 N ATOM 237 CA THR A 18 8.233 5.698 -0.656 1.00 0.00 C ATOM 238 C THR A 18 9.736 5.976 -0.604 1.00 0.00 C ATOM 239 O THR A 18 10.171 7.106 -0.820 1.00 0.00 O ATOM 240 CB THR A 18 7.545 5.822 0.705 1.00 0.00 C ATOM 241 OG1 THR A 18 8.291 4.952 1.551 1.00 0.00 O ATOM 242 CG2 THR A 18 6.136 5.224 0.704 1.00 0.00 C ATOM 0 H THR A 18 7.481 3.746 -0.526 1.00 0.00 H new ATOM 0 HA THR A 18 7.816 6.458 -1.317 1.00 0.00 H new ATOM 0 HB THR A 18 7.494 6.872 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.914 4.972 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.692 5.338 1.693 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.521 5.742 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.190 4.165 0.450 1.00 0.00 H new ATOM 250 N GLY A 19 10.491 4.924 -0.317 1.00 0.00 N ATOM 251 CA GLY A 19 11.936 5.041 -0.234 1.00 0.00 C ATOM 252 C GLY A 19 12.374 5.430 1.180 1.00 0.00 C ATOM 253 O GLY A 19 13.532 5.781 1.401 1.00 0.00 O ATOM 0 H GLY A 19 10.128 3.988 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.398 4.094 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.285 5.789 -0.946 1.00 0.00 H new ATOM 257 N SER A 20 11.425 5.353 2.101 1.00 0.00 N ATOM 258 CA SER A 20 11.698 5.692 3.487 1.00 0.00 C ATOM 259 C SER A 20 11.263 4.545 4.402 1.00 0.00 C ATOM 260 O SER A 20 10.369 3.774 4.055 1.00 0.00 O ATOM 261 CB SER A 20 10.991 6.987 3.887 1.00 0.00 C ATOM 262 OG SER A 20 11.639 7.634 4.979 1.00 0.00 O ATOM 0 H SER A 20 10.466 5.061 1.914 1.00 0.00 H new ATOM 0 HA SER A 20 12.771 5.848 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.960 7.662 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.958 6.768 4.157 1.00 0.00 H new ATOM 0 HG SER A 20 11.158 8.458 5.203 1.00 0.00 H new ATOM 268 N ASP A 21 11.914 4.468 5.553 1.00 0.00 N ATOM 269 CA ASP A 21 11.605 3.429 6.520 1.00 0.00 C ATOM 270 C ASP A 21 10.590 3.965 7.531 1.00 0.00 C ATOM 271 O ASP A 21 10.544 3.508 8.672 1.00 0.00 O ATOM 272 CB ASP A 21 12.857 3.002 7.289 1.00 0.00 C ATOM 273 CG ASP A 21 13.990 4.030 7.302 1.00 0.00 C ATOM 274 OD1 ASP A 21 13.683 5.209 7.585 1.00 0.00 O ATOM 275 OD2 ASP A 21 15.137 3.615 7.030 1.00 0.00 O ATOM 0 H ASP A 21 12.655 5.109 5.838 1.00 0.00 H new ATOM 0 HA ASP A 21 11.205 2.572 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.575 2.781 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.233 2.075 6.856 1.00 0.00 H new ATOM 280 N ASP A 22 9.800 4.927 7.076 1.00 0.00 N ATOM 281 CA ASP A 22 8.788 5.529 7.927 1.00 0.00 C ATOM 282 C ASP A 22 7.560 4.618 7.976 1.00 0.00 C ATOM 283 O ASP A 22 6.949 4.451 9.030 1.00 0.00 O ATOM 284 CB ASP A 22 8.346 6.888 7.379 1.00 0.00 C ATOM 285 CG ASP A 22 8.588 8.073 8.316 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.024 7.812 9.459 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.333 9.211 7.869 1.00 0.00 O ATOM 0 H ASP A 22 9.841 5.304 6.129 1.00 0.00 H new ATOM 0 HA ASP A 22 9.218 5.662 8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.870 7.073 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.282 6.840 7.145 1.00 0.00 H new ATOM 292 N VAL A 23 7.236 4.052 6.822 1.00 0.00 N ATOM 293 CA VAL A 23 6.092 3.162 6.720 1.00 0.00 C ATOM 294 C VAL A 23 6.461 1.796 7.304 1.00 0.00 C ATOM 295 O VAL A 23 5.610 1.109 7.868 1.00 0.00 O ATOM 296 CB VAL A 23 5.619 3.083 5.267 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.688 2.446 4.377 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.294 2.323 5.163 1.00 0.00 C ATOM 0 H VAL A 23 7.746 4.193 5.950 1.00 0.00 H new ATOM 0 HA VAL A 23 5.254 3.548 7.300 1.00 0.00 H new ATOM 0 HB VAL A 23 5.451 4.100 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.327 2.402 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.598 3.045 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.902 1.437 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.980 2.281 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.425 1.310 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.533 2.836 5.751 1.00 0.00 H new ATOM 308 N LYS A 24 7.729 1.446 7.151 1.00 0.00 N ATOM 309 CA LYS A 24 8.220 0.174 7.656 1.00 0.00 C ATOM 310 C LYS A 24 7.926 0.079 9.155 1.00 0.00 C ATOM 311 O LYS A 24 7.927 -1.012 9.724 1.00 0.00 O ATOM 312 CB LYS A 24 9.698 -0.006 7.305 1.00 0.00 C ATOM 313 CG LYS A 24 10.179 -1.414 7.666 1.00 0.00 C ATOM 314 CD LYS A 24 11.553 -1.369 8.336 1.00 0.00 C ATOM 315 CE LYS A 24 12.143 -2.774 8.470 1.00 0.00 C ATOM 316 NZ LYS A 24 12.835 -2.924 9.770 1.00 0.00 N ATOM 0 H LYS A 24 8.432 2.020 6.685 1.00 0.00 H new ATOM 0 HA LYS A 24 7.700 -0.655 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.847 0.171 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.295 0.734 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.460 -1.888 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.229 -2.027 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.226 -0.742 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.466 -0.911 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.350 -3.517 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.843 -2.960 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.230 -3.883 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.604 -2.227 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.158 -2.767 10.544 1.00 0.00 H new ATOM 330 N LYS A 25 7.685 1.237 9.753 1.00 0.00 N ATOM 331 CA LYS A 25 7.391 1.298 11.174 1.00 0.00 C ATOM 332 C LYS A 25 5.946 1.760 11.373 1.00 0.00 C ATOM 333 O LYS A 25 5.078 0.962 11.724 1.00 0.00 O ATOM 334 CB LYS A 25 8.421 2.168 11.897 1.00 0.00 C ATOM 335 CG LYS A 25 8.160 2.189 13.405 1.00 0.00 C ATOM 336 CD LYS A 25 7.274 3.374 13.793 1.00 0.00 C ATOM 337 CE LYS A 25 7.629 3.890 15.189 1.00 0.00 C ATOM 338 NZ LYS A 25 7.819 5.358 15.165 1.00 0.00 N ATOM 0 H LYS A 25 7.687 2.140 9.279 1.00 0.00 H new ATOM 0 HA LYS A 25 7.473 0.308 11.623 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.424 1.787 11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.384 3.184 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.681 1.258 13.707 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.107 2.248 13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.393 4.176 13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.227 3.073 13.768 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.837 3.631 15.891 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.539 3.405 15.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.639 5.747 16.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.795 5.577 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.157 5.783 14.485 1.00 0.00 H new ATOM 352 N ASN A 26 5.733 3.047 11.140 1.00 0.00 N ATOM 353 CA ASN A 26 4.409 3.625 11.289 1.00 0.00 C ATOM 354 C ASN A 26 3.409 2.821 10.455 1.00 0.00 C ATOM 355 O ASN A 26 3.683 2.488 9.302 1.00 0.00 O ATOM 356 CB ASN A 26 4.381 5.073 10.794 1.00 0.00 C ATOM 357 CG ASN A 26 4.830 6.036 11.894 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.909 5.922 12.452 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.946 6.989 12.173 1.00 0.00 N ATOM 0 H ASN A 26 6.456 3.705 10.849 1.00 0.00 H new ATOM 0 HA ASN A 26 4.148 3.600 12.347 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.032 5.177 9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.373 5.331 10.469 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.153 7.682 12.892 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.061 7.027 11.668 1.00 0.00 H new ATOM 366 N LEU A 27 2.271 2.532 11.069 1.00 0.00 N ATOM 367 CA LEU A 27 1.230 1.774 10.398 1.00 0.00 C ATOM 368 C LEU A 27 0.073 2.709 10.038 1.00 0.00 C ATOM 369 O LEU A 27 -1.083 2.291 10.012 1.00 0.00 O ATOM 370 CB LEU A 27 0.808 0.573 11.248 1.00 0.00 C ATOM 371 CG LEU A 27 1.923 -0.400 11.633 1.00 0.00 C ATOM 372 CD1 LEU A 27 2.195 -0.356 13.138 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.605 -1.818 11.151 1.00 0.00 C ATOM 0 H LEU A 27 2.047 2.810 12.025 1.00 0.00 H new ATOM 0 HA LEU A 27 1.606 1.358 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.345 0.945 12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.042 0.020 10.705 1.00 0.00 H new ATOM 0 HG LEU A 27 2.838 -0.085 11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.992 -1.057 13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.497 0.652 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.290 -0.631 13.680 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.414 -2.490 11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.674 -2.157 11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.500 -1.819 10.066 1.00 0.00 H new ATOM 385 N ASP A 28 0.427 3.958 9.771 1.00 0.00 N ATOM 386 CA ASP A 28 -0.567 4.957 9.414 1.00 0.00 C ATOM 387 C ASP A 28 0.135 6.179 8.821 1.00 0.00 C ATOM 388 O ASP A 28 -0.345 7.303 8.958 1.00 0.00 O ATOM 389 CB ASP A 28 -1.354 5.414 10.645 1.00 0.00 C ATOM 390 CG ASP A 28 -2.868 5.222 10.551 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.513 6.090 9.924 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.347 4.211 11.110 1.00 0.00 O ATOM 0 H ASP A 28 1.387 4.301 9.795 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.252 4.510 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.987 4.870 11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.147 6.470 10.819 1.00 0.00 H new ATOM 397 N LEU A 29 1.261 5.919 8.173 1.00 0.00 N ATOM 398 CA LEU A 29 2.035 6.984 7.558 1.00 0.00 C ATOM 399 C LEU A 29 1.464 7.287 6.171 1.00 0.00 C ATOM 400 O LEU A 29 1.787 6.605 5.200 1.00 0.00 O ATOM 401 CB LEU A 29 3.523 6.627 7.546 1.00 0.00 C ATOM 402 CG LEU A 29 4.445 7.623 6.838 1.00 0.00 C ATOM 403 CD1 LEU A 29 5.300 8.391 7.847 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.298 6.922 5.780 1.00 0.00 C ATOM 0 H LEU A 29 1.656 4.985 8.060 1.00 0.00 H new ATOM 0 HA LEU A 29 1.956 7.900 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.859 6.520 8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.639 5.653 7.071 1.00 0.00 H new ATOM 0 HG LEU A 29 3.825 8.354 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.946 9.092 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.652 8.940 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.913 7.690 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.944 7.652 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.910 6.156 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.648 6.458 5.038 1.00 0.00 H new ATOM 416 N ASN A 30 0.624 8.311 6.123 1.00 0.00 N ATOM 417 CA ASN A 30 0.005 8.712 4.871 1.00 0.00 C ATOM 418 C ASN A 30 1.037 8.623 3.745 1.00 0.00 C ATOM 419 O ASN A 30 2.055 9.313 3.775 1.00 0.00 O ATOM 420 CB ASN A 30 -0.494 10.157 4.941 1.00 0.00 C ATOM 421 CG ASN A 30 -2.009 10.204 5.146 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.753 10.754 4.350 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.425 9.597 6.255 1.00 0.00 N ATOM 0 H ASN A 30 0.358 8.875 6.930 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.839 8.047 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.004 10.678 5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.231 10.681 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.419 9.573 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.749 9.156 6.879 1.00 0.00 H new ATOM 430 N LEU A 31 0.739 7.767 2.778 1.00 0.00 N ATOM 431 CA LEU A 31 1.628 7.579 1.644 1.00 0.00 C ATOM 432 C LEU A 31 1.223 8.533 0.519 1.00 0.00 C ATOM 433 O LEU A 31 1.582 8.323 -0.639 1.00 0.00 O ATOM 434 CB LEU A 31 1.656 6.109 1.223 1.00 0.00 C ATOM 435 CG LEU A 31 1.774 5.088 2.357 1.00 0.00 C ATOM 436 CD1 LEU A 31 1.194 3.736 1.940 1.00 0.00 C ATOM 437 CD2 LEU A 31 3.222 4.968 2.838 1.00 0.00 C ATOM 0 H LEU A 31 -0.106 7.196 2.757 1.00 0.00 H new ATOM 0 HA LEU A 31 2.653 7.828 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.747 5.895 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.493 5.963 0.541 1.00 0.00 H new ATOM 0 HG LEU A 31 1.183 5.444 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.291 3.029 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.141 3.855 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.737 3.359 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.278 4.236 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.855 4.646 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.566 5.936 3.202 1.00 0.00 H new ATOM 449 N PHE A 32 0.478 9.562 0.899 1.00 0.00 N ATOM 450 CA PHE A 32 0.019 10.549 -0.064 1.00 0.00 C ATOM 451 C PHE A 32 0.080 11.960 0.525 1.00 0.00 C ATOM 452 O PHE A 32 0.731 12.842 -0.034 1.00 0.00 O ATOM 453 CB PHE A 32 -1.436 10.210 -0.394 1.00 0.00 C ATOM 454 CG PHE A 32 -1.597 9.190 -1.524 1.00 0.00 C ATOM 455 CD1 PHE A 32 -0.837 9.295 -2.647 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.498 8.179 -1.404 1.00 0.00 C ATOM 457 CE1 PHE A 32 -0.987 8.348 -3.695 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.647 7.233 -2.452 1.00 0.00 C ATOM 459 CZ PHE A 32 -1.889 7.337 -3.576 1.00 0.00 C ATOM 0 H PHE A 32 0.181 9.733 1.860 1.00 0.00 H new ATOM 0 HA PHE A 32 0.653 10.526 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.920 9.823 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.959 11.126 -0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.120 10.097 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.100 8.096 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.384 8.431 -4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.363 6.430 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.003 6.618 -4.373 1.00 0.00 H new ATOM 469 N GLU A 33 -0.605 12.128 1.646 1.00 0.00 N ATOM 470 CA GLU A 33 -0.638 13.416 2.317 1.00 0.00 C ATOM 471 C GLU A 33 0.744 13.755 2.881 1.00 0.00 C ATOM 472 O GLU A 33 0.994 14.892 3.280 1.00 0.00 O ATOM 473 CB GLU A 33 -1.698 13.434 3.419 1.00 0.00 C ATOM 474 CG GLU A 33 -2.441 14.772 3.445 1.00 0.00 C ATOM 475 CD GLU A 33 -2.012 15.615 4.648 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.111 15.085 5.776 1.00 0.00 O ATOM 477 OE2 GLU A 33 -1.596 16.769 4.413 1.00 0.00 O ATOM 0 H GLU A 33 -1.142 11.393 2.107 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.909 14.178 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.408 12.623 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.226 13.258 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.243 15.320 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.516 14.594 3.486 1.00 0.00 H new ATOM 484 N THR A 34 1.605 12.749 2.895 1.00 0.00 N ATOM 485 CA THR A 34 2.956 12.926 3.404 1.00 0.00 C ATOM 486 C THR A 34 3.899 13.348 2.275 1.00 0.00 C ATOM 487 O THR A 34 4.976 13.883 2.530 1.00 0.00 O ATOM 488 CB THR A 34 3.376 11.626 4.093 1.00 0.00 C ATOM 489 OG1 THR A 34 2.309 11.353 4.998 1.00 0.00 O ATOM 490 CG2 THR A 34 4.594 11.812 5.000 1.00 0.00 C ATOM 0 H THR A 34 1.395 11.808 2.562 1.00 0.00 H new ATOM 0 HA THR A 34 3.000 13.729 4.140 1.00 0.00 H new ATOM 0 HB THR A 34 3.596 10.870 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.194 10.384 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.851 10.860 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.438 12.166 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.362 12.543 5.775 1.00 0.00 H new ATOM 498 N GLY A 35 3.460 13.090 1.052 1.00 0.00 N ATOM 499 CA GLY A 35 4.251 13.436 -0.116 1.00 0.00 C ATOM 500 C GLY A 35 5.055 12.231 -0.610 1.00 0.00 C ATOM 501 O GLY A 35 5.725 12.308 -1.639 1.00 0.00 O ATOM 0 H GLY A 35 2.566 12.645 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.596 13.791 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.928 14.254 0.128 1.00 0.00 H new ATOM 505 N LEU A 36 4.960 11.147 0.145 1.00 0.00 N ATOM 506 CA LEU A 36 5.670 9.928 -0.203 1.00 0.00 C ATOM 507 C LEU A 36 5.267 9.494 -1.614 1.00 0.00 C ATOM 508 O LEU A 36 6.119 9.336 -2.486 1.00 0.00 O ATOM 509 CB LEU A 36 5.442 8.852 0.860 1.00 0.00 C ATOM 510 CG LEU A 36 6.363 8.909 2.081 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.814 9.150 1.662 1.00 0.00 C ATOM 512 CD2 LEU A 36 5.875 9.954 3.087 1.00 0.00 C ATOM 0 H LEU A 36 4.402 11.087 0.997 1.00 0.00 H new ATOM 0 HA LEU A 36 6.745 10.105 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.410 8.923 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.555 7.875 0.390 1.00 0.00 H new ATOM 0 HG LEU A 36 6.329 7.941 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.447 9.186 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.145 8.339 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.886 10.096 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.547 9.974 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.861 10.936 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.869 9.697 3.420 1.00 0.00 H new ATOM 524 N LEU A 37 3.967 9.312 -1.794 1.00 0.00 N ATOM 525 CA LEU A 37 3.441 8.899 -3.083 1.00 0.00 C ATOM 526 C LEU A 37 2.566 10.018 -3.654 1.00 0.00 C ATOM 527 O LEU A 37 2.248 10.980 -2.957 1.00 0.00 O ATOM 528 CB LEU A 37 2.719 7.555 -2.962 1.00 0.00 C ATOM 529 CG LEU A 37 2.823 6.627 -4.173 1.00 0.00 C ATOM 530 CD1 LEU A 37 4.285 6.314 -4.501 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.998 5.355 -3.961 1.00 0.00 C ATOM 0 H LEU A 37 3.263 9.443 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 37 4.253 8.735 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.114 7.030 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.664 7.748 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 37 2.403 7.144 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.330 5.652 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.814 7.240 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.753 5.826 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.089 4.712 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.365 4.825 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.951 5.621 -3.813 1.00 0.00 H new ATOM 543 N ASP A 38 2.202 9.854 -4.917 1.00 0.00 N ATOM 544 CA ASP A 38 1.371 10.837 -5.590 1.00 0.00 C ATOM 545 C ASP A 38 0.151 10.140 -6.197 1.00 0.00 C ATOM 546 O ASP A 38 -0.986 10.510 -5.912 1.00 0.00 O ATOM 547 CB ASP A 38 2.136 11.523 -6.724 1.00 0.00 C ATOM 548 CG ASP A 38 3.015 12.699 -6.293 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.913 13.078 -5.106 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.766 13.194 -7.160 1.00 0.00 O ATOM 0 H ASP A 38 2.468 9.055 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 38 1.071 11.583 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.764 10.782 -7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.418 11.877 -7.464 1.00 0.00 H new ATOM 555 N SER A 39 0.431 9.142 -7.022 1.00 0.00 N ATOM 556 CA SER A 39 -0.628 8.388 -7.672 1.00 0.00 C ATOM 557 C SER A 39 -0.026 7.301 -8.565 1.00 0.00 C ATOM 558 O SER A 39 -0.279 6.115 -8.361 1.00 0.00 O ATOM 559 CB SER A 39 -1.534 9.308 -8.493 1.00 0.00 C ATOM 560 OG SER A 39 -2.411 8.574 -9.343 1.00 0.00 O ATOM 0 H SER A 39 1.376 8.838 -7.255 1.00 0.00 H new ATOM 0 HA SER A 39 -1.236 7.918 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.121 9.934 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.920 9.977 -9.096 1.00 0.00 H new ATOM 0 HG SER A 39 -2.974 9.197 -9.849 1.00 0.00 H new ATOM 566 N MET A 40 0.760 7.745 -9.534 1.00 0.00 N ATOM 567 CA MET A 40 1.400 6.825 -10.459 1.00 0.00 C ATOM 568 C MET A 40 2.096 5.688 -9.707 1.00 0.00 C ATOM 569 O MET A 40 2.303 4.609 -10.261 1.00 0.00 O ATOM 570 CB MET A 40 2.427 7.582 -11.305 1.00 0.00 C ATOM 571 CG MET A 40 3.273 8.514 -10.435 1.00 0.00 C ATOM 572 SD MET A 40 3.278 10.159 -11.127 1.00 0.00 S ATOM 573 CE MET A 40 1.544 10.562 -10.982 1.00 0.00 C ATOM 0 H MET A 40 0.968 8.730 -9.699 1.00 0.00 H new ATOM 0 HA MET A 40 0.633 6.394 -11.103 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.074 6.872 -11.820 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.915 8.161 -12.073 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.875 8.539 -9.421 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.293 8.136 -10.368 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.367 11.558 -11.388 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.953 9.833 -11.537 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.252 10.541 -9.932 1.00 0.00 H new ATOM 583 N GLY A 41 2.438 5.970 -8.459 1.00 0.00 N ATOM 584 CA GLY A 41 3.107 4.984 -7.626 1.00 0.00 C ATOM 585 C GLY A 41 2.176 3.812 -7.309 1.00 0.00 C ATOM 586 O GLY A 41 2.532 2.655 -7.528 1.00 0.00 O ATOM 0 H GLY A 41 2.265 6.866 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.999 4.618 -8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.439 5.451 -6.699 1.00 0.00 H new ATOM 590 N THR A 42 1.001 4.151 -6.800 1.00 0.00 N ATOM 591 CA THR A 42 0.016 3.142 -6.452 1.00 0.00 C ATOM 592 C THR A 42 -0.154 2.144 -7.600 1.00 0.00 C ATOM 593 O THR A 42 -0.363 0.954 -7.367 1.00 0.00 O ATOM 594 CB THR A 42 -1.282 3.857 -6.071 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.805 3.080 -4.998 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.349 3.753 -7.162 1.00 0.00 C ATOM 0 H THR A 42 0.709 5.112 -6.620 1.00 0.00 H new ATOM 0 HA THR A 42 0.341 2.552 -5.595 1.00 0.00 H new ATOM 0 HB THR A 42 -1.072 4.907 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.647 3.475 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.250 4.277 -6.841 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.975 4.204 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.584 2.704 -7.342 1.00 0.00 H new ATOM 604 N VAL A 43 -0.060 2.667 -8.814 1.00 0.00 N ATOM 605 CA VAL A 43 -0.201 1.837 -9.998 1.00 0.00 C ATOM 606 C VAL A 43 0.826 0.704 -9.948 1.00 0.00 C ATOM 607 O VAL A 43 0.626 -0.348 -10.552 1.00 0.00 O ATOM 608 CB VAL A 43 -0.080 2.699 -11.257 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.039 1.827 -12.515 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.217 3.719 -11.334 1.00 0.00 C ATOM 0 H VAL A 43 0.112 3.655 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.189 1.378 -10.027 1.00 0.00 H new ATOM 0 HB VAL A 43 0.859 3.249 -11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.047 2.463 -13.396 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.820 1.157 -12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.955 1.239 -12.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.107 4.319 -12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.173 3.197 -11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.182 4.370 -10.460 1.00 0.00 H new ATOM 620 N GLN A 44 1.905 0.959 -9.220 1.00 0.00 N ATOM 621 CA GLN A 44 2.964 -0.027 -9.083 1.00 0.00 C ATOM 622 C GLN A 44 2.545 -1.124 -8.104 1.00 0.00 C ATOM 623 O GLN A 44 2.327 -2.267 -8.502 1.00 0.00 O ATOM 624 CB GLN A 44 4.272 0.632 -8.642 1.00 0.00 C ATOM 625 CG GLN A 44 5.393 -0.402 -8.516 1.00 0.00 C ATOM 626 CD GLN A 44 6.754 0.224 -8.827 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.861 1.366 -9.245 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.784 -0.585 -8.602 1.00 0.00 N ATOM 0 H GLN A 44 2.068 1.833 -8.720 1.00 0.00 H new ATOM 0 HA GLN A 44 3.136 -0.484 -10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.558 1.398 -9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.126 1.133 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.400 -0.814 -7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.206 -1.231 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.624 -1.529 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.735 -0.261 -8.780 1.00 0.00 H new ATOM 637 N LEU A 45 2.444 -0.738 -6.840 1.00 0.00 N ATOM 638 CA LEU A 45 2.055 -1.675 -5.799 1.00 0.00 C ATOM 639 C LEU A 45 0.936 -2.577 -6.325 1.00 0.00 C ATOM 640 O LEU A 45 0.987 -3.795 -6.159 1.00 0.00 O ATOM 641 CB LEU A 45 1.691 -0.928 -4.515 1.00 0.00 C ATOM 642 CG LEU A 45 1.340 0.553 -4.675 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.250 0.968 -3.687 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.590 1.429 -4.553 1.00 0.00 C ATOM 0 H LEU A 45 2.625 0.211 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 45 2.891 -2.323 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.843 -1.434 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.528 -1.009 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 45 0.939 0.703 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.020 2.025 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.647 0.375 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.599 0.800 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.313 2.477 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.044 1.281 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.305 1.153 -5.329 1.00 0.00 H new ATOM 656 N LEU A 46 -0.047 -1.944 -6.946 1.00 0.00 N ATOM 657 CA LEU A 46 -1.177 -2.674 -7.496 1.00 0.00 C ATOM 658 C LEU A 46 -0.662 -3.826 -8.361 1.00 0.00 C ATOM 659 O LEU A 46 -1.127 -4.958 -8.235 1.00 0.00 O ATOM 660 CB LEU A 46 -2.119 -1.724 -8.238 1.00 0.00 C ATOM 661 CG LEU A 46 -3.538 -1.612 -7.674 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.492 -1.007 -8.707 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.032 -2.966 -7.162 1.00 0.00 C ATOM 0 H LEU A 46 -0.085 -0.934 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.771 -3.115 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.671 -0.730 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.186 -2.048 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.515 -0.934 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.493 -0.938 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.146 -0.011 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.517 -1.640 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.042 -2.859 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.037 -3.685 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.369 -3.320 -6.373 1.00 0.00 H new ATOM 675 N LEU A 47 0.293 -3.500 -9.220 1.00 0.00 N ATOM 676 CA LEU A 47 0.875 -4.493 -10.105 1.00 0.00 C ATOM 677 C LEU A 47 1.630 -5.531 -9.272 1.00 0.00 C ATOM 678 O LEU A 47 1.851 -6.653 -9.724 1.00 0.00 O ATOM 679 CB LEU A 47 1.737 -3.818 -11.175 1.00 0.00 C ATOM 680 CG LEU A 47 1.587 -4.360 -12.597 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.009 -5.828 -12.673 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.164 -4.144 -13.119 1.00 0.00 C ATOM 0 H LEU A 47 0.678 -2.561 -9.321 1.00 0.00 H new ATOM 0 HA LEU A 47 0.094 -5.025 -10.647 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.500 -2.754 -11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.783 -3.909 -10.881 1.00 0.00 H new ATOM 0 HG LEU A 47 2.258 -3.799 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.892 -6.188 -13.695 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.052 -5.923 -12.372 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.384 -6.421 -12.006 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.084 -4.538 -14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.544 -4.662 -12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.063 -3.078 -13.126 1.00 0.00 H new ATOM 694 N GLU A 48 2.006 -5.119 -8.070 1.00 0.00 N ATOM 695 CA GLU A 48 2.732 -5.999 -7.170 1.00 0.00 C ATOM 696 C GLU A 48 1.755 -6.761 -6.272 1.00 0.00 C ATOM 697 O GLU A 48 2.099 -7.805 -5.720 1.00 0.00 O ATOM 698 CB GLU A 48 3.746 -5.216 -6.336 1.00 0.00 C ATOM 699 CG GLU A 48 5.077 -5.965 -6.245 1.00 0.00 C ATOM 700 CD GLU A 48 5.648 -6.241 -7.637 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.715 -5.271 -8.424 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.006 -7.413 -7.882 1.00 0.00 O ATOM 0 H GLU A 48 1.821 -4.187 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 48 3.286 -6.722 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.907 -4.234 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.348 -5.051 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.790 -5.378 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.933 -6.906 -5.714 1.00 0.00 H new ATOM 709 N LEU A 49 0.556 -6.210 -6.153 1.00 0.00 N ATOM 710 CA LEU A 49 -0.472 -6.824 -5.330 1.00 0.00 C ATOM 711 C LEU A 49 -1.305 -7.777 -6.190 1.00 0.00 C ATOM 712 O LEU A 49 -2.067 -8.587 -5.666 1.00 0.00 O ATOM 713 CB LEU A 49 -1.302 -5.752 -4.621 1.00 0.00 C ATOM 714 CG LEU A 49 -2.108 -6.222 -3.407 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.183 -6.703 -2.288 1.00 0.00 C ATOM 716 CD2 LEU A 49 -3.066 -5.130 -2.929 1.00 0.00 C ATOM 0 H LEU A 49 0.273 -5.345 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.020 -7.420 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.632 -4.954 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.992 -5.317 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.717 -7.074 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.781 -7.031 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.578 -7.535 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.530 -5.886 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.626 -5.490 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.497 -4.244 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.759 -4.877 -3.732 1.00 0.00 H new ATOM 728 N GLN A 50 -1.129 -7.650 -7.498 1.00 0.00 N ATOM 729 CA GLN A 50 -1.855 -8.490 -8.436 1.00 0.00 C ATOM 730 C GLN A 50 -0.921 -9.540 -9.040 1.00 0.00 C ATOM 731 O GLN A 50 -1.239 -10.144 -10.062 1.00 0.00 O ATOM 732 CB GLN A 50 -2.514 -7.648 -9.530 1.00 0.00 C ATOM 733 CG GLN A 50 -3.315 -8.528 -10.491 1.00 0.00 C ATOM 734 CD GLN A 50 -4.462 -7.741 -11.127 1.00 0.00 C ATOM 735 OE1 GLN A 50 -4.619 -6.548 -10.925 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.255 -8.474 -11.905 1.00 0.00 N ATOM 0 H GLN A 50 -0.494 -6.978 -7.930 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.648 -9.006 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.172 -6.906 -9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.750 -7.101 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.658 -8.914 -11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.713 -9.389 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.067 -9.469 -12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.050 -8.041 -12.375 1.00 0.00 H new ATOM 745 N SER A 51 0.214 -9.725 -8.380 1.00 0.00 N ATOM 746 CA SER A 51 1.196 -10.693 -8.840 1.00 0.00 C ATOM 747 C SER A 51 1.533 -11.672 -7.713 1.00 0.00 C ATOM 748 O SER A 51 1.356 -12.880 -7.863 1.00 0.00 O ATOM 749 CB SER A 51 2.465 -9.996 -9.334 1.00 0.00 C ATOM 750 OG SER A 51 2.423 -9.739 -10.735 1.00 0.00 O ATOM 0 H SER A 51 0.475 -9.222 -7.532 1.00 0.00 H new ATOM 0 HA SER A 51 0.767 -11.245 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.595 -9.056 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.332 -10.616 -9.105 1.00 0.00 H new ATOM 0 HG SER A 51 3.250 -9.292 -11.010 1.00 0.00 H new ATOM 756 N GLN A 52 2.012 -11.115 -6.611 1.00 0.00 N ATOM 757 CA GLN A 52 2.374 -11.924 -5.460 1.00 0.00 C ATOM 758 C GLN A 52 1.135 -12.235 -4.618 1.00 0.00 C ATOM 759 O GLN A 52 1.114 -13.217 -3.877 1.00 0.00 O ATOM 760 CB GLN A 52 3.449 -11.231 -4.620 1.00 0.00 C ATOM 761 CG GLN A 52 4.732 -11.030 -5.428 1.00 0.00 C ATOM 762 CD GLN A 52 5.685 -12.213 -5.249 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.437 -13.318 -5.703 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.786 -11.921 -4.563 1.00 0.00 N ATOM 0 H GLN A 52 2.158 -10.113 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 52 2.790 -12.866 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.079 -10.266 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.663 -11.828 -3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.486 -10.913 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.225 -10.111 -5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.932 -10.975 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.485 -12.643 -4.389 1.00 0.00 H new ATOM 773 N PHE A 53 0.133 -11.379 -4.759 1.00 0.00 N ATOM 774 CA PHE A 53 -1.105 -11.550 -4.020 1.00 0.00 C ATOM 775 C PHE A 53 -2.299 -11.671 -4.970 1.00 0.00 C ATOM 776 O PHE A 53 -3.415 -11.950 -4.538 1.00 0.00 O ATOM 777 CB PHE A 53 -1.285 -10.301 -3.153 1.00 0.00 C ATOM 778 CG PHE A 53 0.009 -9.799 -2.511 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.982 -9.248 -3.285 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.187 -9.903 -1.167 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.184 -8.781 -2.690 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.390 -9.436 -0.571 1.00 0.00 C ATOM 783 CZ PHE A 53 2.362 -8.885 -1.345 1.00 0.00 C ATOM 0 H PHE A 53 0.154 -10.566 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.057 -12.459 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.708 -9.504 -3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.008 -10.518 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.841 -9.166 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.586 -10.340 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.957 -8.343 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.532 -9.519 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.276 -8.530 -0.892 1.00 0.00 H new ATOM 793 N GLY A 54 -2.021 -11.455 -6.248 1.00 0.00 N ATOM 794 CA GLY A 54 -3.057 -11.537 -7.263 1.00 0.00 C ATOM 795 C GLY A 54 -4.377 -10.961 -6.747 1.00 0.00 C ATOM 796 O GLY A 54 -5.420 -11.607 -6.846 1.00 0.00 O ATOM 0 H GLY A 54 -1.093 -11.223 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.742 -10.993 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.200 -12.576 -7.558 1.00 0.00 H new ATOM 800 N VAL A 55 -4.289 -9.754 -6.208 1.00 0.00 N ATOM 801 CA VAL A 55 -5.464 -9.085 -5.675 1.00 0.00 C ATOM 802 C VAL A 55 -6.351 -8.624 -6.834 1.00 0.00 C ATOM 803 O VAL A 55 -5.906 -8.576 -7.980 1.00 0.00 O ATOM 804 CB VAL A 55 -5.041 -7.940 -4.754 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.562 -6.733 -5.563 1.00 0.00 C ATOM 806 CG2 VAL A 55 -6.177 -7.549 -3.807 1.00 0.00 C ATOM 0 H VAL A 55 -3.422 -9.222 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.053 -9.772 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.205 -8.290 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.267 -5.933 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.708 -7.022 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.369 -6.383 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.849 -6.733 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.041 -7.228 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.451 -8.407 -3.194 1.00 0.00 H new ATOM 816 N ASP A 56 -7.589 -8.297 -6.494 1.00 0.00 N ATOM 817 CA ASP A 56 -8.543 -7.841 -7.492 1.00 0.00 C ATOM 818 C ASP A 56 -9.026 -6.437 -7.125 1.00 0.00 C ATOM 819 O ASP A 56 -10.228 -6.184 -7.074 1.00 0.00 O ATOM 820 CB ASP A 56 -9.764 -8.762 -7.547 1.00 0.00 C ATOM 821 CG ASP A 56 -9.683 -9.881 -8.588 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.043 -9.601 -9.751 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.262 -10.990 -8.195 1.00 0.00 O ATOM 0 H ASP A 56 -7.954 -8.339 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.045 -7.844 -8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.907 -9.210 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.647 -8.158 -7.753 1.00 0.00 H new ATOM 828 N ALA A 57 -8.063 -5.560 -6.878 1.00 0.00 N ATOM 829 CA ALA A 57 -8.376 -4.187 -6.518 1.00 0.00 C ATOM 830 C ALA A 57 -8.728 -3.400 -7.782 1.00 0.00 C ATOM 831 O ALA A 57 -8.180 -3.660 -8.852 1.00 0.00 O ATOM 832 CB ALA A 57 -7.195 -3.577 -5.760 1.00 0.00 C ATOM 0 H ALA A 57 -7.066 -5.774 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.242 -4.151 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.429 -2.547 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.005 -4.155 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.308 -3.593 -6.394 1.00 0.00 H new ATOM 838 N PRO A 58 -9.663 -2.428 -7.612 1.00 0.00 N ATOM 839 CA PRO A 58 -10.093 -1.600 -8.726 1.00 0.00 C ATOM 840 C PRO A 58 -9.028 -0.561 -9.081 1.00 0.00 C ATOM 841 O PRO A 58 -7.933 -0.576 -8.524 1.00 0.00 O ATOM 842 CB PRO A 58 -11.403 -0.976 -8.269 1.00 0.00 C ATOM 843 CG PRO A 58 -11.420 -1.107 -6.754 1.00 0.00 C ATOM 844 CD PRO A 58 -10.333 -2.091 -6.358 1.00 0.00 C ATOM 0 HA PRO A 58 -10.237 -2.171 -9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.464 0.069 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.256 -1.487 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.247 -0.138 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.394 -1.457 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.638 -1.648 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.755 -2.977 -5.884 1.00 0.00 H new ATOM 852 N VAL A 59 -9.389 0.316 -10.007 1.00 0.00 N ATOM 853 CA VAL A 59 -8.478 1.360 -10.443 1.00 0.00 C ATOM 854 C VAL A 59 -9.285 2.554 -10.955 1.00 0.00 C ATOM 855 O VAL A 59 -8.970 3.702 -10.642 1.00 0.00 O ATOM 856 CB VAL A 59 -7.507 0.804 -11.488 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.461 1.852 -11.876 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.838 -0.478 -10.986 1.00 0.00 C ATOM 0 H VAL A 59 -10.299 0.325 -10.467 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.872 1.711 -9.608 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.081 0.556 -12.381 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.784 1.432 -12.619 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.960 2.727 -12.293 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.894 2.144 -10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.153 -0.853 -11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.284 -0.265 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.600 -1.230 -10.782 1.00 0.00 H new ATOM 868 N SER A 60 -10.312 2.244 -11.733 1.00 0.00 N ATOM 869 CA SER A 60 -11.167 3.277 -12.291 1.00 0.00 C ATOM 870 C SER A 60 -11.269 4.455 -11.318 1.00 0.00 C ATOM 871 O SER A 60 -11.073 5.606 -11.707 1.00 0.00 O ATOM 872 CB SER A 60 -12.560 2.729 -12.606 1.00 0.00 C ATOM 873 OG SER A 60 -13.069 1.921 -11.548 1.00 0.00 O ATOM 0 H SER A 60 -10.571 1.291 -11.990 1.00 0.00 H new ATOM 0 HA SER A 60 -10.721 3.621 -13.224 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.243 3.559 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.519 2.141 -13.523 1.00 0.00 H new ATOM 0 HG SER A 60 -13.961 1.592 -11.787 1.00 0.00 H new ATOM 879 N GLU A 61 -11.573 4.126 -10.071 1.00 0.00 N ATOM 880 CA GLU A 61 -11.703 5.140 -9.040 1.00 0.00 C ATOM 881 C GLU A 61 -11.996 4.488 -7.687 1.00 0.00 C ATOM 882 O GLU A 61 -13.146 4.447 -7.251 1.00 0.00 O ATOM 883 CB GLU A 61 -12.785 6.158 -9.405 1.00 0.00 C ATOM 884 CG GLU A 61 -12.221 7.581 -9.407 1.00 0.00 C ATOM 885 CD GLU A 61 -13.070 8.504 -10.283 1.00 0.00 C ATOM 886 OE1 GLU A 61 -12.947 8.384 -11.521 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.822 9.311 -9.695 1.00 0.00 O ATOM 0 H GLU A 61 -11.733 3.171 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.757 5.677 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.193 5.923 -10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.608 6.090 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.192 7.966 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.194 7.569 -9.773 1.00 0.00 H new ATOM 894 N PHE A 62 -10.938 3.995 -7.061 1.00 0.00 N ATOM 895 CA PHE A 62 -11.068 3.347 -5.768 1.00 0.00 C ATOM 896 C PHE A 62 -10.916 4.359 -4.630 1.00 0.00 C ATOM 897 O PHE A 62 -10.931 5.567 -4.861 1.00 0.00 O ATOM 898 CB PHE A 62 -9.944 2.314 -5.669 1.00 0.00 C ATOM 899 CG PHE A 62 -8.553 2.878 -5.965 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.025 3.841 -5.164 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.845 2.416 -7.030 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.733 4.364 -5.438 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.553 2.939 -7.305 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.026 3.902 -6.503 1.00 0.00 C ATOM 0 H PHE A 62 -9.986 4.031 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.052 2.886 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.945 1.886 -4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.150 1.500 -6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.588 4.209 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.265 1.651 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.313 5.128 -4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.990 2.572 -8.150 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.044 4.300 -6.712 1.00 0.00 H new ATOM 914 N ASP A 63 -10.771 3.828 -3.424 1.00 0.00 N ATOM 915 CA ASP A 63 -10.615 4.670 -2.250 1.00 0.00 C ATOM 916 C ASP A 63 -9.125 4.867 -1.963 1.00 0.00 C ATOM 917 O ASP A 63 -8.513 4.066 -1.259 1.00 0.00 O ATOM 918 CB ASP A 63 -11.250 4.020 -1.019 1.00 0.00 C ATOM 919 CG ASP A 63 -11.605 2.540 -1.178 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.765 1.815 -1.755 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.706 2.168 -0.720 1.00 0.00 O ATOM 0 H ASP A 63 -10.758 2.826 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.106 5.622 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.565 4.125 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.156 4.570 -0.763 1.00 0.00 H new ATOM 926 N ARG A 64 -8.584 5.939 -2.525 1.00 0.00 N ATOM 927 CA ARG A 64 -7.178 6.252 -2.338 1.00 0.00 C ATOM 928 C ARG A 64 -6.828 6.257 -0.849 1.00 0.00 C ATOM 929 O ARG A 64 -5.742 5.828 -0.461 1.00 0.00 O ATOM 930 CB ARG A 64 -6.832 7.615 -2.941 1.00 0.00 C ATOM 931 CG ARG A 64 -6.072 7.456 -4.258 1.00 0.00 C ATOM 932 CD ARG A 64 -5.487 8.793 -4.719 1.00 0.00 C ATOM 933 NE ARG A 64 -4.742 9.428 -3.609 1.00 0.00 N ATOM 934 CZ ARG A 64 -4.366 10.714 -3.596 1.00 0.00 C ATOM 935 NH1 ARG A 64 -4.664 11.510 -4.631 1.00 0.00 N ATOM 936 NH2 ARG A 64 -3.692 11.204 -2.546 1.00 0.00 N ATOM 0 H ARG A 64 -9.094 6.601 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.597 5.484 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.746 8.184 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.228 8.186 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.270 6.728 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.742 7.065 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.824 8.635 -5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.287 9.453 -5.056 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.500 8.851 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.177 11.137 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.378 12.489 -4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.466 10.598 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.406 12.183 -2.536 1.00 0.00 H new ATOM 950 N LYS A 65 -7.769 6.745 -0.054 1.00 0.00 N ATOM 951 CA LYS A 65 -7.573 6.811 1.385 1.00 0.00 C ATOM 952 C LYS A 65 -7.160 5.432 1.902 1.00 0.00 C ATOM 953 O LYS A 65 -6.364 5.328 2.834 1.00 0.00 O ATOM 954 CB LYS A 65 -8.819 7.377 2.070 1.00 0.00 C ATOM 955 CG LYS A 65 -8.895 6.925 3.529 1.00 0.00 C ATOM 956 CD LYS A 65 -9.477 8.028 4.414 1.00 0.00 C ATOM 957 CE LYS A 65 -8.795 8.048 5.785 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.685 8.658 6.797 1.00 0.00 N ATOM 0 H LYS A 65 -8.669 7.098 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.763 7.499 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.801 8.466 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.712 7.050 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.512 6.030 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.900 6.657 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.351 8.995 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.548 7.872 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.537 7.032 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.863 8.610 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.207 8.664 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.911 9.634 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.564 8.106 6.865 1.00 0.00 H new ATOM 972 N GLU A 66 -7.720 4.407 1.276 1.00 0.00 N ATOM 973 CA GLU A 66 -7.420 3.039 1.661 1.00 0.00 C ATOM 974 C GLU A 66 -6.025 2.643 1.171 1.00 0.00 C ATOM 975 O GLU A 66 -5.379 1.779 1.761 1.00 0.00 O ATOM 976 CB GLU A 66 -8.483 2.074 1.131 1.00 0.00 C ATOM 977 CG GLU A 66 -8.053 0.620 1.336 1.00 0.00 C ATOM 978 CD GLU A 66 -9.224 -0.336 1.093 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.778 -0.282 -0.026 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.537 -1.100 2.032 1.00 0.00 O ATOM 0 H GLU A 66 -8.381 4.497 0.504 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.432 2.978 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.429 2.253 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.653 2.261 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.235 0.379 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.675 0.488 2.350 1.00 0.00 H new ATOM 987 N TRP A 67 -5.603 3.294 0.098 1.00 0.00 N ATOM 988 CA TRP A 67 -4.298 3.021 -0.478 1.00 0.00 C ATOM 989 C TRP A 67 -3.355 4.155 -0.072 1.00 0.00 C ATOM 990 O TRP A 67 -2.324 4.368 -0.708 1.00 0.00 O ATOM 991 CB TRP A 67 -4.395 2.837 -1.994 1.00 0.00 C ATOM 992 CG TRP A 67 -5.542 1.929 -2.439 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.767 2.287 -2.847 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.523 0.488 -2.505 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.535 1.187 -3.170 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.754 0.057 -2.955 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.498 -0.423 -2.194 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.076 -1.293 -3.135 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.835 -1.769 -2.379 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.070 -2.218 -2.832 1.00 0.00 C ATOM 0 H TRP A 67 -6.142 4.010 -0.388 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.897 2.082 -0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.517 3.814 -2.461 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.455 2.424 -2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.110 3.309 -2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.498 1.200 -3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.527 -0.109 -1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.048 -1.604 -3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.083 -2.511 -2.154 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.253 -3.276 -2.950 1.00 0.00 H new ATOM 1011 N ASP A 68 -3.743 4.854 0.985 1.00 0.00 N ATOM 1012 CA ASP A 68 -2.945 5.961 1.484 1.00 0.00 C ATOM 1013 C ASP A 68 -2.068 5.473 2.638 1.00 0.00 C ATOM 1014 O ASP A 68 -0.961 5.973 2.836 1.00 0.00 O ATOM 1015 CB ASP A 68 -3.835 7.089 2.011 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.171 8.012 3.034 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.172 8.659 2.650 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -3.678 8.051 4.176 1.00 0.00 O ATOM 0 H ASP A 68 -4.599 4.675 1.509 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.337 6.336 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.172 7.690 1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.724 6.649 2.464 1.00 0.00 H new ATOM 1023 N THR A 69 -2.594 4.502 3.370 1.00 0.00 N ATOM 1024 CA THR A 69 -1.873 3.941 4.499 1.00 0.00 C ATOM 1025 C THR A 69 -1.508 2.481 4.227 1.00 0.00 C ATOM 1026 O THR A 69 -2.075 1.852 3.334 1.00 0.00 O ATOM 1027 CB THR A 69 -2.733 4.131 5.751 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.069 4.112 5.260 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.578 5.525 6.362 1.00 0.00 C ATOM 0 H THR A 69 -3.512 4.089 3.203 1.00 0.00 H new ATOM 0 HA THR A 69 -0.925 4.455 4.658 1.00 0.00 H new ATOM 0 HB THR A 69 -2.465 3.379 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.647 3.652 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.209 5.607 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.537 5.686 6.643 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.877 6.277 5.632 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.539 1.970 5.033 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.094 0.595 4.888 1.00 0.00 C ATOM 1039 C PRO A 70 -1.127 -0.380 5.455 1.00 0.00 C ATOM 1040 O PRO A 70 -1.429 -1.401 4.836 1.00 0.00 O ATOM 1041 CB PRO A 70 1.240 0.535 5.616 1.00 0.00 C ATOM 1042 CG PRO A 70 1.270 1.747 6.532 1.00 0.00 C ATOM 1043 CD PRO A 70 0.154 2.685 6.101 1.00 0.00 C ATOM 0 HA PRO A 70 0.021 0.299 3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.332 -0.389 6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.071 0.558 4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.134 1.444 7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.236 2.249 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.518 2.908 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.551 3.637 5.748 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.643 -0.032 6.625 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.637 -0.864 7.281 1.00 0.00 C ATOM 1053 C ASN A 71 -3.873 -0.977 6.386 1.00 0.00 C ATOM 1054 O ASN A 71 -4.360 -2.078 6.131 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.073 -0.252 8.615 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.505 -1.044 9.793 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.331 -2.251 9.738 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.226 -0.302 10.861 1.00 0.00 N ATOM 0 H ASN A 71 -1.391 0.815 7.135 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.192 -1.843 7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.736 0.783 8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.161 -0.236 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.843 -0.739 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.395 0.704 10.842 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.345 0.175 5.935 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.515 0.219 5.074 1.00 0.00 C ATOM 1067 C LYS A 72 -5.286 -0.688 3.863 1.00 0.00 C ATOM 1068 O LYS A 72 -6.222 -1.305 3.360 1.00 0.00 O ATOM 1069 CB LYS A 72 -5.854 1.665 4.705 1.00 0.00 C ATOM 1070 CG LYS A 72 -6.771 2.299 5.753 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.228 3.690 5.312 1.00 0.00 C ATOM 1072 CE LYS A 72 -6.842 4.747 6.348 1.00 0.00 C ATOM 1073 NZ LYS A 72 -5.886 5.717 5.768 1.00 0.00 N ATOM 0 H LYS A 72 -3.939 1.086 6.149 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.390 -0.165 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.936 2.247 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.339 1.691 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.640 1.661 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.246 2.370 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.778 3.937 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.309 3.693 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.734 5.269 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.397 4.266 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.544 6.355 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.081 5.205 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.361 6.273 5.028 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.034 -0.739 3.432 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.671 -1.560 2.290 1.00 0.00 C ATOM 1089 C ILE A 73 -3.551 -3.020 2.733 1.00 0.00 C ATOM 1090 O ILE A 73 -4.165 -3.905 2.140 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.407 -1.017 1.619 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.713 0.250 0.819 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.737 -2.091 0.759 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.496 0.691 0.003 1.00 0.00 C ATOM 0 H ILE A 73 -3.259 -0.226 3.853 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.451 -1.519 1.530 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.697 -0.742 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.556 0.069 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.010 1.050 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.842 -1.679 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.462 -2.940 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.429 -2.421 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.741 1.594 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.662 0.895 0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.217 -0.101 -0.691 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.757 -3.226 3.774 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.550 -4.563 4.304 1.00 0.00 C ATOM 1108 C ILE A 74 -3.902 -5.264 4.451 1.00 0.00 C ATOM 1109 O ILE A 74 -3.998 -6.477 4.277 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.742 -4.505 5.602 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.241 -4.580 5.318 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -2.195 -5.592 6.579 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.567 -3.988 6.475 1.00 0.00 C ATOM 0 H ILE A 74 -2.250 -2.489 4.264 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.956 -5.160 3.612 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.932 -3.543 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.051 -5.618 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.014 -4.041 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.605 -5.529 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.249 -5.451 6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.054 -6.572 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.631 -4.054 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.290 -2.943 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.356 -4.545 7.388 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.912 -4.469 4.771 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.255 -4.998 4.944 1.00 0.00 C ATOM 1127 C ALA A 75 -6.770 -5.519 3.601 1.00 0.00 C ATOM 1128 O ALA A 75 -7.284 -6.632 3.518 1.00 0.00 O ATOM 1129 CB ALA A 75 -7.158 -3.915 5.535 1.00 0.00 C ATOM 0 H ALA A 75 -4.828 -3.463 4.915 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.251 -5.835 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.165 -4.312 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.764 -3.601 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.189 -3.059 4.861 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.614 -4.686 2.581 1.00 0.00 N ATOM 1136 CA LYS A 76 -7.059 -5.048 1.246 1.00 0.00 C ATOM 1137 C LYS A 76 -6.138 -6.132 0.684 1.00 0.00 C ATOM 1138 O LYS A 76 -6.432 -6.726 -0.353 1.00 0.00 O ATOM 1139 CB LYS A 76 -7.157 -3.804 0.360 1.00 0.00 C ATOM 1140 CG LYS A 76 -8.230 -3.983 -0.716 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.618 -3.646 -0.168 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.531 -3.114 -1.274 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.670 -4.034 -1.494 1.00 0.00 N ATOM 0 H LYS A 76 -6.186 -3.763 2.653 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.064 -5.468 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.392 -2.934 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.193 -3.611 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.006 -3.341 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.218 -5.011 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.062 -4.536 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.529 -2.902 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.902 -2.125 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.964 -3.000 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.280 -3.658 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.312 -4.970 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.220 -4.122 -0.616 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.041 -6.358 1.392 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.075 -7.361 0.976 1.00 0.00 C ATOM 1159 C VAL A 77 -4.446 -8.709 1.598 1.00 0.00 C ATOM 1160 O VAL A 77 -4.285 -9.753 0.967 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.660 -6.906 1.338 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.631 -7.983 0.987 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.320 -5.580 0.656 1.00 0.00 C ATOM 0 H VAL A 77 -4.800 -5.864 2.251 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.096 -7.485 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.624 -6.747 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.634 -7.634 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.856 -8.895 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.669 -8.188 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.309 -5.279 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.382 -5.701 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.026 -4.814 0.977 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.937 -8.643 2.827 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.332 -9.845 3.540 1.00 0.00 C ATOM 1175 C GLU A 78 -6.746 -10.264 3.131 1.00 0.00 C ATOM 1176 O GLU A 78 -7.098 -11.440 3.214 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.238 -9.642 5.053 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.802 -9.314 5.473 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.091 -10.558 6.008 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -2.680 -11.383 5.164 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.973 -10.655 7.249 1.00 0.00 O ATOM 0 H GLU A 78 -5.070 -7.776 3.347 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.643 -10.646 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.904 -8.834 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.574 -10.543 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.252 -8.914 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.811 -8.538 6.239 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.519 -9.279 2.699 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.887 -9.530 2.277 1.00 0.00 C ATOM 1190 C GLN A 79 -8.924 -9.900 0.793 1.00 0.00 C ATOM 1191 O GLN A 79 -9.979 -9.844 0.162 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.779 -8.322 2.563 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.651 -8.564 3.798 1.00 0.00 C ATOM 1194 CD GLN A 79 -10.784 -7.290 4.633 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -9.961 -6.392 4.579 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.866 -7.263 5.409 1.00 0.00 N ATOM 0 H GLN A 79 -7.224 -8.305 2.632 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.276 -10.371 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.161 -7.438 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.413 -8.121 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.639 -8.905 3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.215 -9.357 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.515 -8.050 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.045 -6.456 6.006 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.761 -10.269 0.277 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.648 -10.648 -1.121 1.00 0.00 C ATOM 1207 C ALA A 80 -7.392 -12.153 -1.218 1.00 0.00 C ATOM 1208 O ALA A 80 -8.022 -12.844 -2.019 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.543 -9.824 -1.785 1.00 0.00 C ATOM 0 H ALA A 80 -6.888 -10.314 0.803 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.576 -10.437 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.458 -10.108 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.787 -8.764 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.596 -10.012 -1.280 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.466 -12.618 -0.392 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.119 -14.029 -0.375 1.00 0.00 C ATOM 1217 C GLN A 81 -7.386 -14.888 -0.390 1.00 0.00 C ATOM 1218 O GLN A 81 -7.780 -15.437 0.637 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.244 -14.364 0.834 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.959 -13.534 0.828 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.304 -13.549 -0.554 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.522 -14.425 -0.890 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.664 -12.535 -1.335 1.00 0.00 N ATOM 0 H GLN A 81 -5.946 -12.043 0.270 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.542 -14.252 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.799 -14.175 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.996 -15.425 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.184 -12.507 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.263 -13.929 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.323 -11.836 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.281 -12.456 -2.277 1.00 0.00 H new