USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 401 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 24 ASN :FLIP amide:sc= 0.117 F(o=-6.5!,f=-1) USER MOD Set 1.2: A 27 GLN :FLIP amide:sc= -1.15 F(o=-3.1,f=-1) USER MOD Single : A 7 ASN :FLIP amide:sc= -2.84! C(o=-7.3!,f=-2.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -3.81! C(o=-3.8!,f=-3.4!) USER MOD Single : A 11 GLN :FLIP amide:sc= -4.8! C(o=-7.1!,f=-4.8!) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.49! C(o=-3.2!,f=-1.5!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.9) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.498 F(o=-2,f=-0.5) USER MOD Single : A 29 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1) USER MOD Single : A 33 GLN : amide:sc= -0.0056 K(o=-0.0056,f=-1.2!) USER MOD Single : A 34 SER OG : rot 177:sc= -1.99! USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -0.106 (180deg=-1.12) USER MOD Single : A 40 SER OG : rot 180:sc= -0.681 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -150:sc= -2.03 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.771 F(o=-2.3!,f=-0.77) USER MOD Single : A 50 LYS NZ :NH3+ -135:sc= -0.807 (180deg=-2.81) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= -0.0255 (180deg=-0.237) USER MOD Single : A 53 ASN : amide:sc= -5.93! C(o=-5.9!,f=-6!) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.22 F(o=-1.2,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 75 N PHE A 6 13.387 3.914 1.573 1.00 1.00 N ATOM 76 CA PHE A 6 11.923 3.837 1.866 1.00 1.00 C ATOM 77 C PHE A 6 11.445 5.097 2.574 1.00 1.00 C ATOM 78 O PHE A 6 11.417 5.172 3.785 1.00 1.00 O ATOM 79 CB PHE A 6 11.657 2.617 2.759 1.00 1.00 C ATOM 80 CG PHE A 6 11.108 1.485 1.881 1.00 1.00 C ATOM 81 CD1 PHE A 6 11.736 1.156 0.691 1.00 1.00 C ATOM 82 CD2 PHE A 6 9.955 0.809 2.241 1.00 1.00 C ATOM 83 CE1 PHE A 6 11.220 0.170 -0.124 1.00 1.00 C ATOM 84 CE2 PHE A 6 9.440 -0.178 1.422 1.00 1.00 C ATOM 85 CZ PHE A 6 10.072 -0.494 0.239 1.00 1.00 C ATOM 0 HA PHE A 6 11.379 3.744 0.926 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.576 2.302 3.254 1.00 1.00 H new ATOM 0 HB3 PHE A 6 10.943 2.869 3.543 1.00 1.00 H new ATOM 0 HD1 PHE A 6 12.637 1.676 0.399 1.00 1.00 H new ATOM 0 HD2 PHE A 6 9.455 1.054 3.167 1.00 1.00 H new ATOM 0 HE1 PHE A 6 11.718 -0.081 -1.049 1.00 1.00 H new ATOM 0 HE2 PHE A 6 8.541 -0.702 1.710 1.00 1.00 H new ATOM 0 HZ PHE A 6 9.666 -1.262 -0.402 1.00 1.00 H new ATOM 95 N ASN A 7 11.086 6.072 1.783 1.00 1.00 N ATOM 96 CA ASN A 7 10.603 7.357 2.344 1.00 1.00 C ATOM 97 C ASN A 7 9.561 7.977 1.431 1.00 1.00 C ATOM 98 O ASN A 7 8.608 8.563 1.894 1.00 1.00 O ATOM 99 CB ASN A 7 11.795 8.300 2.449 1.00 1.00 C ATOM 100 CG ASN A 7 12.919 7.756 1.578 1.00 1.00 C ATOM 101 OD1 ASN A 7 13.495 6.643 1.937 1.00 1.00 O flip ATOM 102 ND2 ASN A 7 13.280 8.328 0.569 1.00 1.00 N flip ATOM 0 H ASN A 7 11.109 6.028 0.764 1.00 1.00 H new ATOM 0 HA ASN A 7 10.151 7.184 3.321 1.00 1.00 H new ATOM 0 HB2 ASN A 7 11.515 9.302 2.124 1.00 1.00 H new ATOM 0 HB3 ASN A 7 12.124 8.381 3.485 1.00 1.00 H new ATOM 0 HD21 ASN A 7 12.830 9.199 0.288 1.00 1.00 H new ATOM 0 HD22 ASN A 7 14.033 7.937 0.003 1.00 1.00 H new ATOM 109 N LYS A 8 9.785 7.851 0.146 1.00 1.00 N ATOM 110 CA LYS A 8 8.818 8.415 -0.842 1.00 1.00 C ATOM 111 C LYS A 8 7.435 7.868 -0.589 1.00 1.00 C ATOM 112 O LYS A 8 6.968 6.985 -1.281 1.00 1.00 O ATOM 113 CB LYS A 8 9.257 7.975 -2.227 1.00 1.00 C ATOM 114 CG LYS A 8 8.404 8.669 -3.300 1.00 1.00 C ATOM 115 CD LYS A 8 7.899 7.617 -4.305 1.00 1.00 C ATOM 116 CE LYS A 8 7.182 8.323 -5.460 1.00 1.00 C ATOM 117 NZ LYS A 8 8.163 8.794 -6.479 1.00 1.00 N ATOM 0 H LYS A 8 10.595 7.382 -0.260 1.00 1.00 H new ATOM 0 HA LYS A 8 8.797 9.501 -0.755 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.309 8.216 -2.377 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.162 6.893 -2.320 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.561 9.180 -2.836 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.993 9.428 -3.815 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.735 7.030 -4.685 1.00 1.00 H new ATOM 0 HD3 LYS A 8 7.220 6.922 -3.811 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.468 7.641 -5.923 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.612 9.170 -5.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.658 9.270 -7.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 8.828 9.461 -6.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 8.689 7.980 -6.857 1.00 1.00 H new ATOM 131 N GLU A 9 6.812 8.411 0.386 1.00 1.00 N ATOM 132 CA GLU A 9 5.451 7.952 0.737 1.00 1.00 C ATOM 133 C GLU A 9 5.393 6.429 0.718 1.00 1.00 C ATOM 134 O GLU A 9 4.423 5.851 0.294 1.00 1.00 O ATOM 135 CB GLU A 9 4.469 8.510 -0.304 1.00 1.00 C ATOM 136 CG GLU A 9 4.522 10.040 -0.270 1.00 1.00 C ATOM 137 CD GLU A 9 3.301 10.575 0.482 1.00 1.00 C ATOM 138 OE1 GLU A 9 3.007 9.996 1.516 1.00 1.00 O ATOM 139 OE2 GLU A 9 2.733 11.532 -0.018 1.00 1.00 O ATOM 0 H GLU A 9 7.182 9.162 0.968 1.00 1.00 H new ATOM 0 HA GLU A 9 5.189 8.302 1.735 1.00 1.00 H new ATOM 0 HB2 GLU A 9 4.728 8.146 -1.298 1.00 1.00 H new ATOM 0 HB3 GLU A 9 3.458 8.164 -0.091 1.00 1.00 H new ATOM 0 HG2 GLU A 9 5.438 10.372 0.219 1.00 1.00 H new ATOM 0 HG3 GLU A 9 4.540 10.437 -1.285 1.00 1.00 H new ATOM 146 N GLN A 10 6.472 5.808 1.132 1.00 1.00 N ATOM 147 CA GLN A 10 6.507 4.318 1.152 1.00 1.00 C ATOM 148 C GLN A 10 6.107 3.753 2.514 1.00 1.00 C ATOM 149 O GLN A 10 5.015 3.253 2.693 1.00 1.00 O ATOM 150 CB GLN A 10 7.938 3.865 0.839 1.00 1.00 C ATOM 151 CG GLN A 10 8.372 4.508 -0.467 1.00 1.00 C ATOM 152 CD GLN A 10 9.638 3.821 -0.983 1.00 1.00 C ATOM 153 OE1 GLN A 10 10.638 4.457 -1.243 1.00 1.00 O ATOM 154 NE2 GLN A 10 9.638 2.528 -1.151 1.00 1.00 N ATOM 0 H GLN A 10 7.323 6.268 1.454 1.00 1.00 H new ATOM 0 HA GLN A 10 5.796 3.951 0.412 1.00 1.00 H new ATOM 0 HB2 GLN A 10 8.612 4.154 1.646 1.00 1.00 H new ATOM 0 HB3 GLN A 10 7.983 2.779 0.760 1.00 1.00 H new ATOM 0 HG2 GLN A 10 7.575 4.427 -1.206 1.00 1.00 H new ATOM 0 HG3 GLN A 10 8.559 5.571 -0.316 1.00 1.00 H new ATOM 0 HE21 GLN A 10 8.802 1.986 -0.935 1.00 1.00 H new ATOM 0 HE22 GLN A 10 10.474 2.059 -1.499 1.00 1.00 H new ATOM 163 N GLN A 11 7.016 3.847 3.446 1.00 1.00 N ATOM 164 CA GLN A 11 6.749 3.323 4.814 1.00 1.00 C ATOM 165 C GLN A 11 5.493 3.944 5.436 1.00 1.00 C ATOM 166 O GLN A 11 4.713 3.259 6.077 1.00 1.00 O ATOM 167 CB GLN A 11 7.973 3.634 5.725 1.00 1.00 C ATOM 168 CG GLN A 11 8.818 4.793 5.142 1.00 1.00 C ATOM 169 CD GLN A 11 7.952 6.052 5.040 1.00 1.00 C ATOM 170 OE1 GLN A 11 7.626 6.508 3.862 1.00 1.00 O flip ATOM 171 NE2 GLN A 11 7.564 6.631 6.036 1.00 1.00 N flip ATOM 0 H GLN A 11 7.937 4.267 3.317 1.00 1.00 H new ATOM 0 HA GLN A 11 6.585 2.248 4.733 1.00 1.00 H new ATOM 0 HB2 GLN A 11 7.629 3.897 6.725 1.00 1.00 H new ATOM 0 HB3 GLN A 11 8.592 2.742 5.825 1.00 1.00 H new ATOM 0 HG2 GLN A 11 9.682 4.983 5.778 1.00 1.00 H new ATOM 0 HG3 GLN A 11 9.200 4.520 4.158 1.00 1.00 H new ATOM 0 HE21 GLN A 11 7.815 6.280 6.960 1.00 1.00 H new ATOM 0 HE22 GLN A 11 6.987 7.468 5.947 1.00 1.00 H new ATOM 180 N ASN A 12 5.309 5.218 5.234 1.00 1.00 N ATOM 181 CA ASN A 12 4.114 5.881 5.816 1.00 1.00 C ATOM 182 C ASN A 12 2.818 5.351 5.203 1.00 1.00 C ATOM 183 O ASN A 12 1.862 5.092 5.907 1.00 1.00 O ATOM 184 CB ASN A 12 4.220 7.390 5.542 1.00 1.00 C ATOM 185 CG ASN A 12 2.967 7.870 4.809 1.00 1.00 C ATOM 186 OD1 ASN A 12 2.878 7.686 3.521 1.00 1.00 O flip ATOM 187 ND2 ASN A 12 2.060 8.422 5.402 1.00 1.00 N flip ATOM 0 H ASN A 12 5.929 5.823 4.696 1.00 1.00 H new ATOM 0 HA ASN A 12 4.086 5.673 6.886 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.334 7.933 6.480 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.106 7.599 4.943 1.00 1.00 H new ATOM 0 HD21 ASN A 12 2.124 8.569 6.409 1.00 1.00 H new ATOM 0 HD22 ASN A 12 1.235 8.738 4.892 1.00 1.00 H new ATOM 194 N ALA A 13 2.804 5.197 3.908 1.00 1.00 N ATOM 195 CA ALA A 13 1.572 4.684 3.259 1.00 1.00 C ATOM 196 C ALA A 13 1.449 3.176 3.431 1.00 1.00 C ATOM 197 O ALA A 13 0.418 2.606 3.188 1.00 1.00 O ATOM 198 CB ALA A 13 1.618 5.050 1.779 1.00 1.00 C ATOM 0 H ALA A 13 3.582 5.402 3.281 1.00 1.00 H new ATOM 0 HA ALA A 13 0.699 5.137 3.729 1.00 1.00 H new ATOM 0 HB1 ALA A 13 0.719 4.681 1.285 1.00 1.00 H new ATOM 0 HB2 ALA A 13 1.671 6.134 1.674 1.00 1.00 H new ATOM 0 HB3 ALA A 13 2.497 4.598 1.319 1.00 1.00 H new ATOM 204 N PHE A 14 2.515 2.549 3.820 1.00 1.00 N ATOM 205 CA PHE A 14 2.447 1.082 4.017 1.00 1.00 C ATOM 206 C PHE A 14 1.608 0.818 5.252 1.00 1.00 C ATOM 207 O PHE A 14 0.546 0.213 5.185 1.00 1.00 O ATOM 208 CB PHE A 14 3.888 0.564 4.219 1.00 1.00 C ATOM 209 CG PHE A 14 3.899 -0.824 4.885 1.00 1.00 C ATOM 210 CD1 PHE A 14 2.928 -1.775 4.602 1.00 1.00 C ATOM 211 CD2 PHE A 14 4.920 -1.154 5.761 1.00 1.00 C ATOM 212 CE1 PHE A 14 2.988 -3.028 5.187 1.00 1.00 C ATOM 213 CE2 PHE A 14 4.972 -2.405 6.339 1.00 1.00 C ATOM 214 CZ PHE A 14 4.009 -3.338 6.053 1.00 1.00 C ATOM 0 H PHE A 14 3.420 2.981 4.008 1.00 1.00 H new ATOM 0 HA PHE A 14 1.999 0.576 3.162 1.00 1.00 H new ATOM 0 HB2 PHE A 14 4.395 0.511 3.256 1.00 1.00 H new ATOM 0 HB3 PHE A 14 4.446 1.269 4.835 1.00 1.00 H new ATOM 0 HD1 PHE A 14 2.123 -1.536 3.923 1.00 1.00 H new ATOM 0 HD2 PHE A 14 5.682 -0.425 5.993 1.00 1.00 H new ATOM 0 HE1 PHE A 14 2.230 -3.764 4.962 1.00 1.00 H new ATOM 0 HE2 PHE A 14 5.774 -2.651 7.019 1.00 1.00 H new ATOM 0 HZ PHE A 14 4.053 -4.316 6.508 1.00 1.00 H new ATOM 224 N TYR A 15 2.042 1.321 6.363 1.00 1.00 N ATOM 225 CA TYR A 15 1.236 1.082 7.562 1.00 1.00 C ATOM 226 C TYR A 15 -0.178 1.649 7.345 1.00 1.00 C ATOM 227 O TYR A 15 -1.049 1.486 8.176 1.00 1.00 O ATOM 228 CB TYR A 15 1.878 1.796 8.771 1.00 1.00 C ATOM 229 CG TYR A 15 3.405 1.621 8.762 1.00 1.00 C ATOM 230 CD1 TYR A 15 3.984 0.396 8.484 1.00 1.00 C ATOM 231 CD2 TYR A 15 4.225 2.687 9.075 1.00 1.00 C ATOM 232 CE1 TYR A 15 5.355 0.245 8.519 1.00 1.00 C ATOM 233 CE2 TYR A 15 5.595 2.533 9.110 1.00 1.00 C ATOM 234 CZ TYR A 15 6.169 1.312 8.833 1.00 1.00 C ATOM 235 OH TYR A 15 7.540 1.157 8.870 1.00 1.00 O ATOM 0 H TYR A 15 2.893 1.869 6.486 1.00 1.00 H new ATOM 0 HA TYR A 15 1.185 0.010 7.753 1.00 1.00 H new ATOM 0 HB2 TYR A 15 1.629 2.857 8.746 1.00 1.00 H new ATOM 0 HB3 TYR A 15 1.467 1.394 9.697 1.00 1.00 H new ATOM 0 HD1 TYR A 15 3.358 -0.449 8.238 1.00 1.00 H new ATOM 0 HD2 TYR A 15 3.789 3.651 9.294 1.00 1.00 H new ATOM 0 HE1 TYR A 15 5.794 -0.717 8.299 1.00 1.00 H new ATOM 0 HE2 TYR A 15 6.223 3.376 9.357 1.00 1.00 H new ATOM 0 HH TYR A 15 7.959 2.010 9.107 1.00 1.00 H new ATOM 245 N GLU A 16 -0.371 2.309 6.213 1.00 1.00 N ATOM 246 CA GLU A 16 -1.713 2.896 5.912 1.00 1.00 C ATOM 247 C GLU A 16 -2.604 1.907 5.154 1.00 1.00 C ATOM 248 O GLU A 16 -3.690 1.604 5.605 1.00 1.00 O ATOM 249 CB GLU A 16 -1.511 4.156 5.051 1.00 1.00 C ATOM 250 CG GLU A 16 -2.820 4.938 4.961 1.00 1.00 C ATOM 251 CD GLU A 16 -3.076 5.671 6.279 1.00 1.00 C ATOM 252 OE1 GLU A 16 -2.268 5.478 7.171 1.00 1.00 O ATOM 253 OE2 GLU A 16 -4.065 6.384 6.318 1.00 1.00 O ATOM 0 H GLU A 16 0.340 2.460 5.498 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.206 3.138 6.853 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -0.732 4.783 5.485 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.175 3.875 4.053 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -2.772 5.653 4.140 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -3.646 4.260 4.745 1.00 1.00 H new ATOM 260 N ILE A 17 -2.148 1.427 4.004 1.00 1.00 N ATOM 261 CA ILE A 17 -3.003 0.457 3.253 1.00 1.00 C ATOM 262 C ILE A 17 -3.548 -0.585 4.231 1.00 1.00 C ATOM 263 O ILE A 17 -4.622 -1.119 4.053 1.00 1.00 O ATOM 264 CB ILE A 17 -2.174 -0.297 2.185 1.00 1.00 C ATOM 265 CG1 ILE A 17 -0.753 0.225 2.142 1.00 1.00 C ATOM 266 CG2 ILE A 17 -2.818 -0.083 0.773 1.00 1.00 C ATOM 267 CD1 ILE A 17 0.080 -0.652 1.214 1.00 1.00 C ATOM 0 H ILE A 17 -1.253 1.661 3.575 1.00 1.00 H new ATOM 0 HA ILE A 17 -3.806 1.013 2.770 1.00 1.00 H new ATOM 0 HB ILE A 17 -2.165 -1.355 2.447 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.743 1.257 1.791 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -0.323 0.225 3.144 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -2.233 -0.614 0.022 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -3.838 -0.466 0.777 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -2.831 0.981 0.537 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.103 -0.278 1.181 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.080 -1.677 1.585 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -0.347 -0.629 0.211 1.00 1.00 H new ATOM 279 N LEU A 18 -2.769 -0.837 5.266 1.00 1.00 N ATOM 280 CA LEU A 18 -3.178 -1.848 6.309 1.00 1.00 C ATOM 281 C LEU A 18 -4.310 -1.349 7.210 1.00 1.00 C ATOM 282 O LEU A 18 -4.416 -1.754 8.351 1.00 1.00 O ATOM 283 CB LEU A 18 -1.944 -2.124 7.183 1.00 1.00 C ATOM 284 CG LEU A 18 -1.057 -3.174 6.495 1.00 1.00 C ATOM 285 CD1 LEU A 18 -1.748 -4.560 6.515 1.00 1.00 C ATOM 286 CD2 LEU A 18 -0.805 -2.732 5.049 1.00 1.00 C ATOM 0 H LEU A 18 -1.869 -0.387 5.434 1.00 1.00 H new ATOM 0 HA LEU A 18 -3.543 -2.740 5.800 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -1.382 -1.203 7.340 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -2.253 -2.480 8.166 1.00 1.00 H new ATOM 0 HG LEU A 18 -0.110 -3.258 7.028 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -1.108 -5.293 6.024 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -1.923 -4.864 7.547 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -2.700 -4.499 5.988 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -0.176 -3.468 4.548 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.756 -2.649 4.523 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -0.303 -1.764 5.047 1.00 1.00 H new ATOM 298 N HIS A 19 -5.134 -0.486 6.694 1.00 1.00 N ATOM 299 CA HIS A 19 -6.265 0.025 7.542 1.00 1.00 C ATOM 300 C HIS A 19 -7.557 0.234 6.743 1.00 1.00 C ATOM 301 O HIS A 19 -8.626 0.219 7.307 1.00 1.00 O ATOM 302 CB HIS A 19 -5.831 1.364 8.149 1.00 1.00 C ATOM 303 CG HIS A 19 -4.809 1.098 9.239 1.00 1.00 C ATOM 304 ND1 HIS A 19 -4.943 0.254 10.145 1.00 1.00 N ATOM 305 CD2 HIS A 19 -3.571 1.670 9.450 1.00 1.00 C ATOM 306 CE1 HIS A 19 -3.931 0.229 10.899 1.00 1.00 C ATOM 307 NE2 HIS A 19 -3.000 1.103 10.534 1.00 1.00 N ATOM 0 H HIS A 19 -5.085 -0.113 5.746 1.00 1.00 H new ATOM 0 HA HIS A 19 -6.480 -0.720 8.308 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -5.403 2.006 7.379 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -6.693 1.889 8.560 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -3.129 2.447 8.844 1.00 1.00 H new ATOM 0 HE1 HIS A 19 -3.833 -0.431 11.748 1.00 1.00 H new ATOM 0 HE2 HIS A 19 -2.093 1.295 10.960 1.00 1.00 H new ATOM 315 N LEU A 20 -7.421 0.366 5.449 1.00 1.00 N ATOM 316 CA LEU A 20 -8.619 0.581 4.559 1.00 1.00 C ATOM 317 C LEU A 20 -9.838 -0.247 5.058 1.00 1.00 C ATOM 318 O LEU A 20 -10.011 -1.391 4.662 1.00 1.00 O ATOM 319 CB LEU A 20 -8.231 0.059 3.162 1.00 1.00 C ATOM 320 CG LEU A 20 -7.262 1.028 2.410 1.00 1.00 C ATOM 321 CD1 LEU A 20 -6.325 1.802 3.361 1.00 1.00 C ATOM 322 CD2 LEU A 20 -6.407 0.185 1.467 1.00 1.00 C ATOM 0 H LEU A 20 -6.527 0.335 4.960 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.893 1.636 4.554 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.758 -0.918 3.261 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -9.133 -0.082 2.567 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.865 1.767 1.882 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.677 2.458 2.779 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -6.920 2.400 4.051 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -5.715 1.096 3.925 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -5.717 0.832 0.925 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -5.841 -0.546 2.045 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.052 -0.334 0.757 1.00 1.00 H new ATOM 334 N PRO A 21 -10.712 0.370 5.869 1.00 1.00 N ATOM 335 CA PRO A 21 -11.880 -0.344 6.409 1.00 1.00 C ATOM 336 C PRO A 21 -12.946 -0.650 5.356 1.00 1.00 C ATOM 337 O PRO A 21 -13.668 -1.620 5.476 1.00 1.00 O ATOM 338 CB PRO A 21 -12.478 0.626 7.454 1.00 1.00 C ATOM 339 CG PRO A 21 -11.724 1.982 7.326 1.00 1.00 C ATOM 340 CD PRO A 21 -10.643 1.806 6.249 1.00 1.00 C ATOM 0 HA PRO A 21 -11.573 -1.310 6.811 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -13.545 0.764 7.281 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -12.368 0.220 8.460 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -12.413 2.780 7.051 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -11.275 2.263 8.279 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.831 2.451 5.391 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.657 2.066 6.633 1.00 1.00 H new ATOM 348 N ASN A 22 -13.034 0.169 4.350 1.00 1.00 N ATOM 349 CA ASN A 22 -14.061 -0.080 3.310 1.00 1.00 C ATOM 350 C ASN A 22 -13.600 -1.052 2.214 1.00 1.00 C ATOM 351 O ASN A 22 -14.215 -1.108 1.167 1.00 1.00 O ATOM 352 CB ASN A 22 -14.400 1.268 2.656 1.00 1.00 C ATOM 353 CG ASN A 22 -14.263 2.384 3.699 1.00 1.00 C ATOM 354 OD1 ASN A 22 -13.310 3.267 3.563 1.00 1.00 O flip ATOM 355 ND2 ASN A 22 -15.020 2.460 4.646 1.00 1.00 N flip ATOM 0 H ASN A 22 -12.447 0.990 4.204 1.00 1.00 H new ATOM 0 HA ASN A 22 -14.921 -0.539 3.798 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -13.732 1.456 1.815 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -15.415 1.248 2.259 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -15.766 1.774 4.759 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -14.909 3.210 5.329 1.00 1.00 H new ATOM 362 N LEU A 23 -12.534 -1.803 2.450 1.00 1.00 N ATOM 363 CA LEU A 23 -12.079 -2.762 1.376 1.00 1.00 C ATOM 364 C LEU A 23 -11.737 -4.138 1.917 1.00 1.00 C ATOM 365 O LEU A 23 -11.622 -4.334 3.112 1.00 1.00 O ATOM 366 CB LEU A 23 -10.812 -2.205 0.756 1.00 1.00 C ATOM 367 CG LEU A 23 -11.181 -1.060 -0.181 1.00 1.00 C ATOM 368 CD1 LEU A 23 -10.150 0.057 -0.039 1.00 1.00 C ATOM 369 CD2 LEU A 23 -11.184 -1.573 -1.624 1.00 1.00 C ATOM 0 H LEU A 23 -11.979 -1.795 3.306 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.899 -2.865 0.665 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -10.136 -1.852 1.534 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -10.286 -2.986 0.207 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.170 -0.677 0.073 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -10.409 0.878 -0.707 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -10.141 0.415 0.990 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -9.162 -0.324 -0.299 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.447 -0.759 -2.299 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -10.193 -1.949 -1.878 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.914 -2.377 -1.723 1.00 1.00 H new ATOM 381 N ASN A 24 -11.574 -5.077 1.010 1.00 1.00 N ATOM 382 CA ASN A 24 -11.227 -6.446 1.445 1.00 1.00 C ATOM 383 C ASN A 24 -9.724 -6.603 1.481 1.00 1.00 C ATOM 384 O ASN A 24 -8.987 -6.028 0.666 1.00 1.00 O ATOM 385 CB ASN A 24 -11.801 -7.474 0.483 1.00 1.00 C ATOM 386 CG ASN A 24 -11.216 -7.256 -0.908 1.00 1.00 C ATOM 387 OD1 ASN A 24 -10.112 -7.868 -1.228 1.00 1.00 O flip ATOM 388 ND2 ASN A 24 -11.759 -6.530 -1.717 1.00 1.00 N flip ATOM 0 H ASN A 24 -11.668 -4.945 0.003 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.647 -6.607 2.438 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.571 -8.481 0.831 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -12.887 -7.389 0.449 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -12.624 -6.049 -1.471 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -11.350 -6.402 -2.643 1.00 1.00 H new ATOM 395 N GLU A 25 -9.283 -7.417 2.365 1.00 1.00 N ATOM 396 CA GLU A 25 -7.839 -7.592 2.465 1.00 1.00 C ATOM 397 C GLU A 25 -7.294 -8.598 1.483 1.00 1.00 C ATOM 398 O GLU A 25 -6.112 -8.621 1.236 1.00 1.00 O ATOM 399 CB GLU A 25 -7.481 -7.984 3.882 1.00 1.00 C ATOM 400 CG GLU A 25 -7.071 -6.705 4.610 1.00 1.00 C ATOM 401 CD GLU A 25 -6.972 -6.987 6.111 1.00 1.00 C ATOM 402 OE1 GLU A 25 -7.039 -8.159 6.446 1.00 1.00 O ATOM 403 OE2 GLU A 25 -6.839 -6.018 6.837 1.00 1.00 O ATOM 0 H GLU A 25 -9.850 -7.962 3.014 1.00 1.00 H new ATOM 0 HA GLU A 25 -7.375 -6.639 2.209 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -8.330 -8.455 4.378 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -6.667 -8.709 3.888 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -6.113 -6.348 4.231 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -7.801 -5.917 4.424 1.00 1.00 H new ATOM 410 N GLU A 26 -8.133 -9.425 0.940 1.00 1.00 N ATOM 411 CA GLU A 26 -7.598 -10.392 -0.032 1.00 1.00 C ATOM 412 C GLU A 26 -6.786 -9.615 -1.061 1.00 1.00 C ATOM 413 O GLU A 26 -5.589 -9.819 -1.213 1.00 1.00 O ATOM 414 CB GLU A 26 -8.769 -11.099 -0.733 1.00 1.00 C ATOM 415 CG GLU A 26 -8.241 -12.320 -1.484 1.00 1.00 C ATOM 416 CD GLU A 26 -8.063 -13.478 -0.500 1.00 1.00 C ATOM 417 OE1 GLU A 26 -9.009 -13.716 0.231 1.00 1.00 O ATOM 418 OE2 GLU A 26 -6.990 -14.056 -0.535 1.00 1.00 O ATOM 0 H GLU A 26 -9.136 -9.471 1.122 1.00 1.00 H new ATOM 0 HA GLU A 26 -6.974 -11.136 0.464 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.517 -11.403 -0.001 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.260 -10.415 -1.426 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.935 -12.603 -2.275 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -7.290 -12.084 -1.963 1.00 1.00 H new ATOM 425 N GLN A 27 -7.445 -8.704 -1.729 1.00 1.00 N ATOM 426 CA GLN A 27 -6.731 -7.902 -2.734 1.00 1.00 C ATOM 427 C GLN A 27 -5.622 -7.101 -2.058 1.00 1.00 C ATOM 428 O GLN A 27 -4.524 -6.997 -2.583 1.00 1.00 O ATOM 429 CB GLN A 27 -7.732 -6.946 -3.433 1.00 1.00 C ATOM 430 CG GLN A 27 -7.917 -5.664 -2.607 1.00 1.00 C ATOM 431 CD GLN A 27 -9.102 -4.878 -3.171 1.00 1.00 C ATOM 432 OE1 GLN A 27 -10.035 -4.465 -2.359 1.00 1.00 O flip ATOM 433 NE2 GLN A 27 -9.190 -4.633 -4.358 1.00 1.00 N flip ATOM 0 H GLN A 27 -8.436 -8.491 -1.616 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.285 -8.560 -3.480 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -7.369 -6.695 -4.429 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -8.692 -7.445 -3.561 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.093 -5.912 -1.560 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -7.011 -5.058 -2.643 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -8.464 -4.952 -5.000 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.989 -4.108 -4.712 1.00 1.00 H new ATOM 442 N ARG A 28 -5.909 -6.535 -0.893 1.00 1.00 N ATOM 443 CA ARG A 28 -4.832 -5.756 -0.216 1.00 1.00 C ATOM 444 C ARG A 28 -3.612 -6.615 -0.020 1.00 1.00 C ATOM 445 O ARG A 28 -2.569 -6.346 -0.581 1.00 1.00 O ATOM 446 CB ARG A 28 -5.325 -5.291 1.162 1.00 1.00 C ATOM 447 CG ARG A 28 -4.415 -4.189 1.691 1.00 1.00 C ATOM 448 CD ARG A 28 -4.514 -4.165 3.215 1.00 1.00 C ATOM 449 NE ARG A 28 -5.948 -4.042 3.605 1.00 1.00 N ATOM 450 CZ ARG A 28 -6.254 -3.727 4.833 1.00 1.00 C ATOM 451 NH1 ARG A 28 -5.561 -4.247 5.808 1.00 1.00 N ATOM 452 NH2 ARG A 28 -7.241 -2.899 5.046 1.00 1.00 N ATOM 0 H ARG A 28 -6.806 -6.581 -0.409 1.00 1.00 H new ATOM 0 HA ARG A 28 -4.580 -4.898 -0.839 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -6.349 -4.925 1.088 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -5.336 -6.131 1.857 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -3.385 -4.368 1.382 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -4.709 -3.224 1.278 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -4.086 -5.075 3.635 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -3.941 -3.329 3.617 1.00 1.00 H new ATOM 0 HE ARG A 28 -6.684 -4.203 2.917 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -4.795 -4.888 5.604 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -5.786 -4.012 6.775 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -7.759 -2.510 4.258 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -7.494 -2.642 6.000 1.00 1.00 H new ATOM 466 N ASN A 29 -3.761 -7.620 0.790 1.00 1.00 N ATOM 467 CA ASN A 29 -2.635 -8.535 1.046 1.00 1.00 C ATOM 468 C ASN A 29 -1.879 -8.783 -0.245 1.00 1.00 C ATOM 469 O ASN A 29 -0.706 -9.048 -0.232 1.00 1.00 O ATOM 470 CB ASN A 29 -3.236 -9.862 1.528 1.00 1.00 C ATOM 471 CG ASN A 29 -2.277 -10.563 2.481 1.00 1.00 C ATOM 472 OD1 ASN A 29 -1.096 -10.284 2.513 1.00 1.00 O ATOM 473 ND2 ASN A 29 -2.751 -11.484 3.273 1.00 1.00 N ATOM 0 H ASN A 29 -4.623 -7.844 1.287 1.00 1.00 H new ATOM 0 HA ASN A 29 -1.953 -8.112 1.784 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -4.187 -9.678 2.029 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -3.445 -10.506 0.674 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -2.129 -11.970 3.919 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -3.743 -11.718 3.246 1.00 1.00 H new ATOM 480 N GLY A 30 -2.586 -8.663 -1.345 1.00 1.00 N ATOM 481 CA GLY A 30 -1.948 -8.886 -2.667 1.00 1.00 C ATOM 482 C GLY A 30 -0.912 -7.797 -3.006 1.00 1.00 C ATOM 483 O GLY A 30 0.289 -8.063 -3.020 1.00 1.00 O ATOM 0 H GLY A 30 -3.576 -8.420 -1.377 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -1.462 -9.862 -2.674 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -2.716 -8.907 -3.440 1.00 1.00 H new ATOM 487 N PHE A 31 -1.361 -6.577 -3.260 1.00 1.00 N ATOM 488 CA PHE A 31 -0.347 -5.557 -3.598 1.00 1.00 C ATOM 489 C PHE A 31 0.761 -5.522 -2.556 1.00 1.00 C ATOM 490 O PHE A 31 1.945 -5.481 -2.893 1.00 1.00 O ATOM 491 CB PHE A 31 -0.960 -4.127 -3.793 1.00 1.00 C ATOM 492 CG PHE A 31 -2.081 -3.769 -2.881 1.00 1.00 C ATOM 493 CD1 PHE A 31 -1.804 -3.371 -1.610 1.00 1.00 C ATOM 494 CD2 PHE A 31 -3.362 -3.609 -3.378 1.00 1.00 C ATOM 495 CE1 PHE A 31 -2.774 -2.810 -0.830 1.00 1.00 C ATOM 496 CE2 PHE A 31 -4.337 -3.037 -2.608 1.00 1.00 C ATOM 497 CZ PHE A 31 -4.049 -2.630 -1.330 1.00 1.00 C ATOM 0 H PHE A 31 -2.334 -6.272 -3.246 1.00 1.00 H new ATOM 0 HA PHE A 31 0.077 -5.854 -4.557 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -0.165 -3.392 -3.666 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -1.312 -4.041 -4.821 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -0.807 -3.500 -1.214 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -3.594 -3.938 -4.380 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -2.544 -2.506 0.181 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -5.333 -2.906 -3.006 1.00 1.00 H new ATOM 0 HZ PHE A 31 -4.813 -2.172 -0.719 1.00 1.00 H new ATOM 507 N ILE A 32 0.409 -5.554 -1.312 1.00 1.00 N ATOM 508 CA ILE A 32 1.492 -5.524 -0.324 1.00 1.00 C ATOM 509 C ILE A 32 2.203 -6.843 -0.217 1.00 1.00 C ATOM 510 O ILE A 32 3.317 -6.885 0.266 1.00 1.00 O ATOM 511 CB ILE A 32 0.981 -5.116 1.033 1.00 1.00 C ATOM 512 CG1 ILE A 32 -0.530 -5.338 1.145 1.00 1.00 C ATOM 513 CG2 ILE A 32 1.326 -3.625 1.168 1.00 1.00 C ATOM 514 CD1 ILE A 32 -1.000 -4.914 2.520 1.00 1.00 C ATOM 0 H ILE A 32 -0.544 -5.598 -0.950 1.00 1.00 H new ATOM 0 HA ILE A 32 2.207 -4.781 -0.677 1.00 1.00 H new ATOM 0 HB ILE A 32 1.434 -5.711 1.826 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -1.051 -4.765 0.378 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -0.768 -6.388 0.975 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.982 -3.258 2.135 1.00 1.00 H new ATOM 0 HG22 ILE A 32 2.405 -3.493 1.092 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.835 -3.064 0.372 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -2.076 -5.071 2.601 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -0.488 -5.507 3.278 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -0.775 -3.858 2.672 1.00 1.00 H new ATOM 526 N GLN A 33 1.581 -7.919 -0.638 1.00 1.00 N ATOM 527 CA GLN A 33 2.322 -9.184 -0.530 1.00 1.00 C ATOM 528 C GLN A 33 3.625 -8.960 -1.226 1.00 1.00 C ATOM 529 O GLN A 33 4.649 -9.498 -0.856 1.00 1.00 O ATOM 530 CB GLN A 33 1.580 -10.339 -1.236 1.00 1.00 C ATOM 531 CG GLN A 33 1.175 -11.394 -0.204 1.00 1.00 C ATOM 532 CD GLN A 33 0.660 -12.636 -0.930 1.00 1.00 C ATOM 533 OE1 GLN A 33 0.565 -12.669 -2.140 1.00 1.00 O ATOM 534 NE2 GLN A 33 0.317 -13.682 -0.229 1.00 1.00 N ATOM 0 H GLN A 33 0.641 -7.966 -1.030 1.00 1.00 H new ATOM 0 HA GLN A 33 2.440 -9.460 0.518 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.696 -9.958 -1.748 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.221 -10.786 -1.996 1.00 1.00 H new ATOM 0 HG2 GLN A 33 2.028 -11.652 0.423 1.00 1.00 H new ATOM 0 HG3 GLN A 33 0.403 -10.997 0.455 1.00 1.00 H new ATOM 0 HE21 GLN A 33 0.394 -13.662 0.788 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -0.028 -14.519 -0.698 1.00 1.00 H new ATOM 543 N SER A 34 3.551 -8.151 -2.250 1.00 1.00 N ATOM 544 CA SER A 34 4.770 -7.840 -3.001 1.00 1.00 C ATOM 545 C SER A 34 5.649 -6.936 -2.144 1.00 1.00 C ATOM 546 O SER A 34 6.839 -7.136 -2.054 1.00 1.00 O ATOM 547 CB SER A 34 4.384 -7.111 -4.295 1.00 1.00 C ATOM 548 OG SER A 34 5.265 -5.998 -4.344 1.00 1.00 O ATOM 0 H SER A 34 2.699 -7.702 -2.586 1.00 1.00 H new ATOM 0 HA SER A 34 5.311 -8.753 -3.248 1.00 1.00 H new ATOM 0 HB2 SER A 34 4.506 -7.754 -5.166 1.00 1.00 H new ATOM 0 HB3 SER A 34 3.341 -6.793 -4.277 1.00 1.00 H new ATOM 0 HG SER A 34 5.117 -5.500 -5.175 1.00 1.00 H new ATOM 554 N LEU A 35 5.039 -5.945 -1.523 1.00 1.00 N ATOM 555 CA LEU A 35 5.830 -5.039 -0.665 1.00 1.00 C ATOM 556 C LEU A 35 6.671 -5.841 0.331 1.00 1.00 C ATOM 557 O LEU A 35 7.703 -5.387 0.783 1.00 1.00 O ATOM 558 CB LEU A 35 4.846 -4.158 0.120 1.00 1.00 C ATOM 559 CG LEU A 35 5.621 -3.173 0.982 1.00 1.00 C ATOM 560 CD1 LEU A 35 4.988 -1.772 0.885 1.00 1.00 C ATOM 561 CD2 LEU A 35 5.577 -3.619 2.447 1.00 1.00 C ATOM 0 H LEU A 35 4.042 -5.739 -1.581 1.00 1.00 H new ATOM 0 HA LEU A 35 6.497 -4.439 -1.284 1.00 1.00 H new ATOM 0 HB2 LEU A 35 4.194 -3.620 -0.569 1.00 1.00 H new ATOM 0 HB3 LEU A 35 4.205 -4.779 0.746 1.00 1.00 H new ATOM 0 HG LEU A 35 6.651 -3.141 0.627 1.00 1.00 H new ATOM 0 HD11 LEU A 35 5.551 -1.075 1.506 1.00 1.00 H new ATOM 0 HD12 LEU A 35 5.009 -1.434 -0.151 1.00 1.00 H new ATOM 0 HD13 LEU A 35 3.955 -1.815 1.231 1.00 1.00 H new ATOM 0 HD21 LEU A 35 6.134 -2.910 3.060 1.00 1.00 H new ATOM 0 HD22 LEU A 35 4.541 -3.656 2.785 1.00 1.00 H new ATOM 0 HD23 LEU A 35 6.025 -4.608 2.540 1.00 1.00 H new ATOM 573 N LYS A 36 6.206 -7.024 0.662 1.00 1.00 N ATOM 574 CA LYS A 36 6.963 -7.866 1.627 1.00 1.00 C ATOM 575 C LYS A 36 7.976 -8.743 0.900 1.00 1.00 C ATOM 576 O LYS A 36 9.165 -8.637 1.127 1.00 1.00 O ATOM 577 CB LYS A 36 5.969 -8.788 2.372 1.00 1.00 C ATOM 578 CG LYS A 36 5.340 -8.052 3.569 1.00 1.00 C ATOM 579 CD LYS A 36 4.190 -7.173 3.072 1.00 1.00 C ATOM 580 CE LYS A 36 3.617 -6.389 4.253 1.00 1.00 C ATOM 581 NZ LYS A 36 2.149 -6.616 4.367 1.00 1.00 N ATOM 0 H LYS A 36 5.343 -7.434 0.306 1.00 1.00 H new ATOM 0 HA LYS A 36 7.489 -7.212 2.323 1.00 1.00 H new ATOM 0 HB2 LYS A 36 5.186 -9.116 1.688 1.00 1.00 H new ATOM 0 HB3 LYS A 36 6.485 -9.683 2.719 1.00 1.00 H new ATOM 0 HG2 LYS A 36 4.973 -8.771 4.301 1.00 1.00 H new ATOM 0 HG3 LYS A 36 6.090 -7.441 4.070 1.00 1.00 H new ATOM 0 HD2 LYS A 36 4.545 -6.488 2.302 1.00 1.00 H new ATOM 0 HD3 LYS A 36 3.414 -7.789 2.617 1.00 1.00 H new ATOM 0 HE2 LYS A 36 4.111 -6.696 5.175 1.00 1.00 H new ATOM 0 HE3 LYS A 36 3.817 -5.326 4.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 1.671 -5.710 4.546 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 1.792 -7.027 3.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 1.959 -7.269 5.154 1.00 1.00 H new ATOM 595 N ASP A 37 7.491 -9.607 0.047 1.00 1.00 N ATOM 596 CA ASP A 37 8.427 -10.493 -0.697 1.00 1.00 C ATOM 597 C ASP A 37 9.175 -9.701 -1.765 1.00 1.00 C ATOM 598 O ASP A 37 10.012 -10.230 -2.469 1.00 1.00 O ATOM 599 CB ASP A 37 7.614 -11.605 -1.380 1.00 1.00 C ATOM 600 CG ASP A 37 7.071 -12.559 -0.314 1.00 1.00 C ATOM 601 OD1 ASP A 37 6.333 -12.070 0.525 1.00 1.00 O ATOM 602 OD2 ASP A 37 7.427 -13.723 -0.397 1.00 1.00 O ATOM 0 H ASP A 37 6.501 -9.735 -0.163 1.00 1.00 H new ATOM 0 HA ASP A 37 9.150 -10.917 0.001 1.00 1.00 H new ATOM 0 HB2 ASP A 37 6.792 -11.173 -1.951 1.00 1.00 H new ATOM 0 HB3 ASP A 37 8.241 -12.149 -2.086 1.00 1.00 H new ATOM 607 N ASP A 38 8.854 -8.442 -1.856 1.00 1.00 N ATOM 608 CA ASP A 38 9.520 -7.575 -2.861 1.00 1.00 C ATOM 609 C ASP A 38 9.379 -6.101 -2.464 1.00 1.00 C ATOM 610 O ASP A 38 8.616 -5.366 -3.060 1.00 1.00 O ATOM 611 CB ASP A 38 8.824 -7.784 -4.215 1.00 1.00 C ATOM 612 CG ASP A 38 9.381 -9.043 -4.878 1.00 1.00 C ATOM 613 OD1 ASP A 38 10.594 -9.165 -4.878 1.00 1.00 O ATOM 614 OD2 ASP A 38 8.561 -9.814 -5.350 1.00 1.00 O ATOM 0 H ASP A 38 8.157 -7.976 -1.275 1.00 1.00 H new ATOM 0 HA ASP A 38 10.578 -7.832 -2.919 1.00 1.00 H new ATOM 0 HB2 ASP A 38 7.748 -7.879 -4.073 1.00 1.00 H new ATOM 0 HB3 ASP A 38 8.985 -6.919 -4.858 1.00 1.00 H new ATOM 619 N PRO A 39 10.122 -5.697 -1.448 1.00 1.00 N ATOM 620 CA PRO A 39 10.084 -4.312 -0.961 1.00 1.00 C ATOM 621 C PRO A 39 10.691 -3.342 -1.976 1.00 1.00 C ATOM 622 O PRO A 39 11.252 -2.328 -1.621 1.00 1.00 O ATOM 623 CB PRO A 39 10.940 -4.330 0.329 1.00 1.00 C ATOM 624 CG PRO A 39 11.497 -5.774 0.498 1.00 1.00 C ATOM 625 CD PRO A 39 11.030 -6.592 -0.714 1.00 1.00 C ATOM 0 HA PRO A 39 9.061 -3.976 -0.791 1.00 1.00 H new ATOM 0 HB2 PRO A 39 11.755 -3.610 0.259 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.338 -4.047 1.193 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.585 -5.761 0.556 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.134 -6.219 1.424 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.873 -6.895 -1.335 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.520 -7.503 -0.403 1.00 1.00 H new ATOM 633 N SER A 40 10.597 -3.690 -3.222 1.00 1.00 N ATOM 634 CA SER A 40 11.149 -2.810 -4.269 1.00 1.00 C ATOM 635 C SER A 40 10.089 -1.862 -4.825 1.00 1.00 C ATOM 636 O SER A 40 10.206 -0.658 -4.712 1.00 1.00 O ATOM 637 CB SER A 40 11.661 -3.698 -5.390 1.00 1.00 C ATOM 638 OG SER A 40 11.179 -3.083 -6.576 1.00 1.00 O ATOM 0 H SER A 40 10.160 -4.548 -3.558 1.00 1.00 H new ATOM 0 HA SER A 40 11.945 -2.200 -3.842 1.00 1.00 H new ATOM 0 HB2 SER A 40 12.750 -3.755 -5.386 1.00 1.00 H new ATOM 0 HB3 SER A 40 11.288 -4.717 -5.291 1.00 1.00 H new ATOM 0 HG SER A 40 11.471 -3.601 -7.355 1.00 1.00 H new ATOM 644 N GLN A 41 9.066 -2.429 -5.413 1.00 1.00 N ATOM 645 CA GLN A 41 7.989 -1.582 -5.993 1.00 1.00 C ATOM 646 C GLN A 41 7.005 -1.091 -4.928 1.00 1.00 C ATOM 647 O GLN A 41 6.018 -0.468 -5.251 1.00 1.00 O ATOM 648 CB GLN A 41 7.229 -2.422 -7.025 1.00 1.00 C ATOM 649 CG GLN A 41 8.211 -2.912 -8.094 1.00 1.00 C ATOM 650 CD GLN A 41 7.477 -3.834 -9.070 1.00 1.00 C ATOM 651 OE1 GLN A 41 7.602 -5.042 -9.013 1.00 1.00 O ATOM 652 NE2 GLN A 41 6.704 -3.309 -9.980 1.00 1.00 N ATOM 0 H GLN A 41 8.933 -3.435 -5.514 1.00 1.00 H new ATOM 0 HA GLN A 41 8.447 -0.703 -6.447 1.00 1.00 H new ATOM 0 HB2 GLN A 41 6.748 -3.271 -6.538 1.00 1.00 H new ATOM 0 HB3 GLN A 41 6.439 -1.828 -7.484 1.00 1.00 H new ATOM 0 HG2 GLN A 41 8.638 -2.063 -8.629 1.00 1.00 H new ATOM 0 HG3 GLN A 41 9.040 -3.444 -7.627 1.00 1.00 H new ATOM 0 HE21 GLN A 41 6.594 -2.296 -10.034 1.00 1.00 H new ATOM 0 HE22 GLN A 41 6.209 -3.911 -10.638 1.00 1.00 H new ATOM 661 N SER A 42 7.289 -1.393 -3.688 1.00 1.00 N ATOM 662 CA SER A 42 6.386 -0.949 -2.573 1.00 1.00 C ATOM 663 C SER A 42 5.747 0.388 -2.875 1.00 1.00 C ATOM 664 O SER A 42 4.559 0.502 -3.092 1.00 1.00 O ATOM 665 CB SER A 42 7.255 -0.732 -1.357 1.00 1.00 C ATOM 666 OG SER A 42 6.481 0.111 -0.514 1.00 1.00 O ATOM 0 H SER A 42 8.106 -1.928 -3.394 1.00 1.00 H new ATOM 0 HA SER A 42 5.611 -1.702 -2.432 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.493 -1.675 -0.865 1.00 1.00 H new ATOM 0 HB3 SER A 42 8.203 -0.264 -1.624 1.00 1.00 H new ATOM 0 HG SER A 42 7.078 0.672 0.024 1.00 1.00 H new ATOM 672 N ALA A 43 6.581 1.368 -2.881 1.00 1.00 N ATOM 673 CA ALA A 43 6.136 2.740 -3.151 1.00 1.00 C ATOM 674 C ALA A 43 5.069 2.804 -4.244 1.00 1.00 C ATOM 675 O ALA A 43 4.122 3.562 -4.145 1.00 1.00 O ATOM 676 CB ALA A 43 7.374 3.497 -3.626 1.00 1.00 C ATOM 0 H ALA A 43 7.581 1.272 -2.705 1.00 1.00 H new ATOM 0 HA ALA A 43 5.691 3.165 -2.251 1.00 1.00 H new ATOM 0 HB1 ALA A 43 7.107 4.531 -3.844 1.00 1.00 H new ATOM 0 HB2 ALA A 43 8.135 3.476 -2.846 1.00 1.00 H new ATOM 0 HB3 ALA A 43 7.765 3.025 -4.527 1.00 1.00 H new ATOM 682 N ASN A 44 5.227 2.003 -5.255 1.00 1.00 N ATOM 683 CA ASN A 44 4.228 2.025 -6.351 1.00 1.00 C ATOM 684 C ASN A 44 2.936 1.290 -5.974 1.00 1.00 C ATOM 685 O ASN A 44 1.857 1.824 -6.147 1.00 1.00 O ATOM 686 CB ASN A 44 4.858 1.371 -7.584 1.00 1.00 C ATOM 687 CG ASN A 44 3.754 0.952 -8.556 1.00 1.00 C ATOM 688 OD1 ASN A 44 2.673 1.675 -8.635 1.00 1.00 O flip ATOM 689 ND2 ASN A 44 3.870 -0.036 -9.253 1.00 1.00 N flip ATOM 0 H ASN A 44 5.995 1.342 -5.370 1.00 1.00 H new ATOM 0 HA ASN A 44 3.955 3.061 -6.553 1.00 1.00 H new ATOM 0 HB2 ASN A 44 5.541 2.068 -8.070 1.00 1.00 H new ATOM 0 HB3 ASN A 44 5.446 0.502 -7.288 1.00 1.00 H new ATOM 0 HD21 ASN A 44 4.714 -0.605 -9.195 1.00 1.00 H new ATOM 0 HD22 ASN A 44 3.123 -0.297 -9.897 1.00 1.00 H new ATOM 696 N LEU A 45 3.048 0.086 -5.467 1.00 1.00 N ATOM 697 CA LEU A 45 1.808 -0.639 -5.095 1.00 1.00 C ATOM 698 C LEU A 45 0.992 0.250 -4.187 1.00 1.00 C ATOM 699 O LEU A 45 -0.222 0.260 -4.234 1.00 1.00 O ATOM 700 CB LEU A 45 2.157 -1.922 -4.325 1.00 1.00 C ATOM 701 CG LEU A 45 3.602 -2.313 -4.537 1.00 1.00 C ATOM 702 CD1 LEU A 45 3.871 -3.631 -3.810 1.00 1.00 C ATOM 703 CD2 LEU A 45 3.868 -2.504 -6.034 1.00 1.00 C ATOM 0 H LEU A 45 3.923 -0.410 -5.300 1.00 1.00 H new ATOM 0 HA LEU A 45 1.254 -0.896 -5.998 1.00 1.00 H new ATOM 0 HB2 LEU A 45 1.971 -1.773 -3.261 1.00 1.00 H new ATOM 0 HB3 LEU A 45 1.507 -2.733 -4.652 1.00 1.00 H new ATOM 0 HG LEU A 45 4.254 -1.530 -4.149 1.00 1.00 H new ATOM 0 HD11 LEU A 45 4.911 -3.922 -3.957 1.00 1.00 H new ATOM 0 HD12 LEU A 45 3.676 -3.505 -2.745 1.00 1.00 H new ATOM 0 HD13 LEU A 45 3.218 -4.407 -4.209 1.00 1.00 H new ATOM 0 HD21 LEU A 45 4.910 -2.786 -6.185 1.00 1.00 H new ATOM 0 HD22 LEU A 45 3.220 -3.290 -6.421 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.664 -1.572 -6.562 1.00 1.00 H new ATOM 715 N LEU A 46 1.686 0.985 -3.368 1.00 1.00 N ATOM 716 CA LEU A 46 0.997 1.898 -2.438 1.00 1.00 C ATOM 717 C LEU A 46 0.163 2.895 -3.216 1.00 1.00 C ATOM 718 O LEU A 46 -1.035 2.936 -3.074 1.00 1.00 O ATOM 719 CB LEU A 46 2.066 2.652 -1.639 1.00 1.00 C ATOM 720 CG LEU A 46 2.278 1.976 -0.275 1.00 1.00 C ATOM 721 CD1 LEU A 46 2.745 0.523 -0.454 1.00 1.00 C ATOM 722 CD2 LEU A 46 3.354 2.746 0.494 1.00 1.00 C ATOM 0 H LEU A 46 2.704 0.988 -3.307 1.00 1.00 H new ATOM 0 HA LEU A 46 0.343 1.333 -1.774 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.003 2.669 -2.195 1.00 1.00 H new ATOM 0 HB3 LEU A 46 1.761 3.689 -1.497 1.00 1.00 H new ATOM 0 HG LEU A 46 1.334 1.979 0.270 1.00 1.00 H new ATOM 0 HD11 LEU A 46 2.889 0.064 0.524 1.00 1.00 H new ATOM 0 HD12 LEU A 46 1.992 -0.035 -1.010 1.00 1.00 H new ATOM 0 HD13 LEU A 46 3.686 0.508 -1.004 1.00 1.00 H new ATOM 0 HD21 LEU A 46 3.514 2.276 1.464 1.00 1.00 H new ATOM 0 HD22 LEU A 46 4.285 2.734 -0.073 1.00 1.00 H new ATOM 0 HD23 LEU A 46 3.030 3.777 0.639 1.00 1.00 H new ATOM 734 N ALA A 47 0.807 3.682 -4.032 1.00 1.00 N ATOM 735 CA ALA A 47 0.040 4.676 -4.821 1.00 1.00 C ATOM 736 C ALA A 47 -1.192 4.024 -5.441 1.00 1.00 C ATOM 737 O ALA A 47 -2.280 4.569 -5.400 1.00 1.00 O ATOM 738 CB ALA A 47 0.940 5.199 -5.946 1.00 1.00 C ATOM 0 H ALA A 47 1.816 3.679 -4.183 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.279 5.488 -4.168 1.00 1.00 H new ATOM 0 HB1 ALA A 47 0.393 5.932 -6.538 1.00 1.00 H new ATOM 0 HB2 ALA A 47 1.825 5.668 -5.516 1.00 1.00 H new ATOM 0 HB3 ALA A 47 1.243 4.370 -6.585 1.00 1.00 H new ATOM 744 N GLU A 48 -0.995 2.859 -5.997 1.00 1.00 N ATOM 745 CA GLU A 48 -2.134 2.148 -6.624 1.00 1.00 C ATOM 746 C GLU A 48 -3.234 1.896 -5.601 1.00 1.00 C ATOM 747 O GLU A 48 -4.340 2.389 -5.739 1.00 1.00 O ATOM 748 CB GLU A 48 -1.623 0.795 -7.145 1.00 1.00 C ATOM 749 CG GLU A 48 -2.168 0.557 -8.555 1.00 1.00 C ATOM 750 CD GLU A 48 -1.603 -0.755 -9.101 1.00 1.00 C ATOM 751 OE1 GLU A 48 -0.391 -0.880 -9.058 1.00 1.00 O ATOM 752 OE2 GLU A 48 -2.415 -1.558 -9.529 1.00 1.00 O ATOM 0 H GLU A 48 -0.098 2.375 -6.042 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.540 2.754 -7.434 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.533 0.785 -7.158 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -1.941 -0.008 -6.480 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -3.257 0.516 -8.534 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -1.892 1.385 -9.208 1.00 1.00 H new ATOM 759 N ALA A 49 -2.914 1.135 -4.591 1.00 1.00 N ATOM 760 CA ALA A 49 -3.933 0.850 -3.559 1.00 1.00 C ATOM 761 C ALA A 49 -4.541 2.142 -3.047 1.00 1.00 C ATOM 762 O ALA A 49 -5.743 2.300 -3.025 1.00 1.00 O ATOM 763 CB ALA A 49 -3.265 0.141 -2.387 1.00 1.00 C ATOM 0 H ALA A 49 -2.001 0.706 -4.442 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.713 0.228 -3.997 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.009 -0.074 -1.620 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -2.820 -0.792 -2.732 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -2.488 0.781 -1.970 1.00 1.00 H new ATOM 769 N LYS A 50 -3.686 3.044 -2.634 1.00 1.00 N ATOM 770 CA LYS A 50 -4.176 4.345 -2.115 1.00 1.00 C ATOM 771 C LYS A 50 -5.334 4.834 -2.964 1.00 1.00 C ATOM 772 O LYS A 50 -6.281 5.400 -2.466 1.00 1.00 O ATOM 773 CB LYS A 50 -3.028 5.381 -2.217 1.00 1.00 C ATOM 774 CG LYS A 50 -2.548 5.847 -0.812 1.00 1.00 C ATOM 775 CD LYS A 50 -1.319 5.032 -0.365 1.00 1.00 C ATOM 776 CE LYS A 50 -1.737 3.602 -0.009 1.00 1.00 C ATOM 777 NZ LYS A 50 -2.858 3.619 0.970 1.00 1.00 N ATOM 0 H LYS A 50 -2.672 2.930 -2.636 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.502 4.224 -1.082 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -2.191 4.944 -2.761 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.366 6.244 -2.791 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.298 6.908 -0.840 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -3.354 5.728 -0.088 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -0.575 5.014 -1.162 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -0.851 5.508 0.497 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -2.041 3.070 -0.910 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.888 3.061 0.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -2.672 2.927 1.723 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -2.942 4.569 1.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -3.745 3.374 0.486 1.00 1.00 H new ATOM 791 N LYS A 51 -5.232 4.611 -4.242 1.00 1.00 N ATOM 792 CA LYS A 51 -6.324 5.051 -5.130 1.00 1.00 C ATOM 793 C LYS A 51 -7.564 4.213 -4.868 1.00 1.00 C ATOM 794 O LYS A 51 -8.665 4.720 -4.814 1.00 1.00 O ATOM 795 CB LYS A 51 -5.882 4.849 -6.585 1.00 1.00 C ATOM 796 CG LYS A 51 -6.110 6.149 -7.352 1.00 1.00 C ATOM 797 CD LYS A 51 -5.800 5.920 -8.830 1.00 1.00 C ATOM 798 CE LYS A 51 -4.804 6.980 -9.300 1.00 1.00 C ATOM 799 NZ LYS A 51 -3.485 6.788 -8.630 1.00 1.00 N ATOM 0 H LYS A 51 -4.447 4.148 -4.700 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.551 6.101 -4.944 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -4.830 4.567 -6.624 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -6.447 4.037 -7.042 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -7.141 6.480 -7.231 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -5.473 6.938 -6.952 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -5.386 4.923 -8.978 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -6.715 5.976 -9.420 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -4.682 6.919 -10.381 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -5.190 7.975 -9.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -2.731 7.179 -9.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -3.487 7.278 -7.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -3.317 5.773 -8.479 1.00 1.00 H new ATOM 813 N LEU A 52 -7.353 2.936 -4.701 1.00 1.00 N ATOM 814 CA LEU A 52 -8.492 2.028 -4.434 1.00 1.00 C ATOM 815 C LEU A 52 -9.153 2.397 -3.097 1.00 1.00 C ATOM 816 O LEU A 52 -10.259 1.988 -2.815 1.00 1.00 O ATOM 817 CB LEU A 52 -7.925 0.552 -4.450 1.00 1.00 C ATOM 818 CG LEU A 52 -8.286 -0.286 -3.181 1.00 1.00 C ATOM 819 CD1 LEU A 52 -8.108 -1.786 -3.519 1.00 1.00 C ATOM 820 CD2 LEU A 52 -7.349 0.069 -1.995 1.00 1.00 C ATOM 0 H LEU A 52 -6.438 2.487 -4.739 1.00 1.00 H new ATOM 0 HA LEU A 52 -9.270 2.117 -5.192 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -8.306 0.038 -5.332 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -6.840 0.592 -4.549 1.00 1.00 H new ATOM 0 HG LEU A 52 -9.314 -0.065 -2.893 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -8.356 -2.388 -2.645 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -8.769 -2.054 -4.343 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -7.074 -1.974 -3.808 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -7.622 -0.528 -1.125 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -6.316 -0.143 -2.271 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -7.451 1.127 -1.755 1.00 1.00 H new ATOM 832 N ASN A 53 -8.469 3.211 -2.324 1.00 1.00 N ATOM 833 CA ASN A 53 -9.023 3.629 -1.009 1.00 1.00 C ATOM 834 C ASN A 53 -10.076 4.727 -1.175 1.00 1.00 C ATOM 835 O ASN A 53 -11.257 4.488 -1.002 1.00 1.00 O ATOM 836 CB ASN A 53 -7.861 4.175 -0.173 1.00 1.00 C ATOM 837 CG ASN A 53 -8.287 4.311 1.293 1.00 1.00 C ATOM 838 OD1 ASN A 53 -7.528 4.031 2.198 1.00 1.00 O ATOM 839 ND2 ASN A 53 -9.489 4.741 1.574 1.00 1.00 N ATOM 0 H ASN A 53 -7.554 3.599 -2.553 1.00 1.00 H new ATOM 0 HA ASN A 53 -9.500 2.775 -0.527 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -7.002 3.508 -0.250 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -7.548 5.144 -0.560 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -9.781 4.839 2.546 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -10.135 4.979 0.821 1.00 1.00 H new ATOM 846 N ASP A 54 -9.632 5.908 -1.510 1.00 1.00 N ATOM 847 CA ASP A 54 -10.594 7.029 -1.686 1.00 1.00 C ATOM 848 C ASP A 54 -11.607 6.720 -2.782 1.00 1.00 C ATOM 849 O ASP A 54 -12.728 7.190 -2.743 1.00 1.00 O ATOM 850 CB ASP A 54 -9.807 8.287 -2.084 1.00 1.00 C ATOM 851 CG ASP A 54 -9.941 9.337 -0.978 1.00 1.00 C ATOM 852 OD1 ASP A 54 -10.993 9.952 -0.940 1.00 1.00 O ATOM 853 OD2 ASP A 54 -8.982 9.465 -0.235 1.00 1.00 O ATOM 0 H ASP A 54 -8.652 6.143 -1.668 1.00 1.00 H new ATOM 0 HA ASP A 54 -11.132 7.179 -0.750 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -8.757 8.039 -2.241 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.185 8.684 -3.026 1.00 1.00 H new ATOM 858 N ALA A 55 -11.202 5.936 -3.743 1.00 1.00 N ATOM 859 CA ALA A 55 -12.140 5.595 -4.841 1.00 1.00 C ATOM 860 C ALA A 55 -13.302 4.757 -4.321 1.00 1.00 C ATOM 861 O ALA A 55 -14.153 4.338 -5.080 1.00 1.00 O ATOM 862 CB ALA A 55 -11.378 4.786 -5.902 1.00 1.00 C ATOM 0 H ALA A 55 -10.272 5.522 -3.813 1.00 1.00 H new ATOM 0 HA ALA A 55 -12.538 6.516 -5.266 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -12.054 4.527 -6.717 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -10.553 5.382 -6.291 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -10.986 3.874 -5.452 1.00 1.00 H new ATOM 868 N GLN A 56 -13.310 4.528 -3.029 1.00 1.00 N ATOM 869 CA GLN A 56 -14.408 3.721 -2.430 1.00 1.00 C ATOM 870 C GLN A 56 -14.897 4.347 -1.130 1.00 1.00 C ATOM 871 O GLN A 56 -16.080 4.568 -0.953 1.00 1.00 O ATOM 872 CB GLN A 56 -13.872 2.313 -2.127 1.00 1.00 C ATOM 873 CG GLN A 56 -14.322 1.354 -3.232 1.00 1.00 C ATOM 874 CD GLN A 56 -15.836 1.147 -3.136 1.00 1.00 C ATOM 875 OE1 GLN A 56 -16.388 1.046 -1.959 1.00 1.00 O flip ATOM 876 NE2 GLN A 56 -16.529 1.076 -4.132 1.00 1.00 N flip ATOM 0 H GLN A 56 -12.607 4.865 -2.371 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.239 3.681 -3.134 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -12.784 2.331 -2.065 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -14.241 1.971 -1.160 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -14.060 1.759 -4.210 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -13.806 0.399 -3.133 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -16.104 1.154 -5.056 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -17.536 0.938 -4.044 1.00 1.00 H new ATOM 885 N ALA A 57 -13.984 4.625 -0.238 1.00 1.00 N ATOM 886 CA ALA A 57 -14.396 5.234 1.050 1.00 1.00 C ATOM 887 C ALA A 57 -15.295 6.472 0.790 1.00 1.00 C ATOM 888 O ALA A 57 -15.084 7.181 -0.174 1.00 1.00 O ATOM 889 CB ALA A 57 -13.130 5.692 1.790 1.00 1.00 C ATOM 0 H ALA A 57 -12.984 4.458 -0.347 1.00 1.00 H new ATOM 0 HA ALA A 57 -14.952 4.505 1.640 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -13.408 6.144 2.742 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -12.484 4.833 1.971 1.00 1.00 H new ATOM 0 HB3 ALA A 57 -12.598 6.424 1.182 1.00 1.00 H new