USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ -126:sc= 0.0985 (180deg=0.0474) USER MOD Single : A 3 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.14) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 5 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-3.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -30:sc= -6.93! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0599 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.156 USER MOD Single : A 41 SER OG : rot 45:sc= 0.113 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.88) USER MOD Single : A 47 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.34) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -4.51! C(o=-4.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 8.979 -1.607 -4.069 1.00 0.00 N ATOM 2 CA PHE A 1 8.400 -0.689 -5.091 1.00 0.00 C ATOM 3 C PHE A 1 8.725 0.761 -4.719 1.00 0.00 C ATOM 4 O PHE A 1 9.591 1.028 -3.910 1.00 0.00 O ATOM 5 CB PHE A 1 6.874 -0.889 -5.162 1.00 0.00 C ATOM 6 CG PHE A 1 6.170 0.009 -4.162 1.00 0.00 C ATOM 7 CD1 PHE A 1 6.234 -0.278 -2.792 1.00 0.00 C ATOM 8 CD2 PHE A 1 5.461 1.132 -4.608 1.00 0.00 C ATOM 9 CE1 PHE A 1 5.589 0.557 -1.869 1.00 0.00 C ATOM 10 CE2 PHE A 1 4.815 1.966 -3.686 1.00 0.00 C ATOM 11 CZ PHE A 1 4.879 1.678 -2.317 1.00 0.00 C ATOM 0 H1 PHE A 1 9.577 -2.317 -4.539 1.00 0.00 H new ATOM 0 H2 PHE A 1 9.554 -1.060 -3.397 1.00 0.00 H new ATOM 0 H3 PHE A 1 8.211 -2.086 -3.557 1.00 0.00 H new ATOM 0 HA PHE A 1 8.831 -0.911 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 1 6.520 -0.669 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 1 6.629 -1.931 -4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.781 -1.143 -2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 1 5.412 1.355 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 1 5.640 0.336 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 1 4.268 2.831 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 1 4.381 2.321 -1.606 1.00 0.00 H new ATOM 23 N VAL A 2 8.029 1.697 -5.302 1.00 0.00 N ATOM 24 CA VAL A 2 8.284 3.126 -4.981 1.00 0.00 C ATOM 25 C VAL A 2 7.555 3.486 -3.676 1.00 0.00 C ATOM 26 O VAL A 2 7.439 2.668 -2.786 1.00 0.00 O ATOM 27 CB VAL A 2 7.793 3.995 -6.148 1.00 0.00 C ATOM 28 CG1 VAL A 2 6.281 4.217 -6.053 1.00 0.00 C ATOM 29 CG2 VAL A 2 8.519 5.341 -6.114 1.00 0.00 C ATOM 0 H VAL A 2 7.293 1.532 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 2 9.350 3.304 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 2 8.008 3.485 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.951 4.835 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.769 3.255 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.045 4.719 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.174 5.962 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.309 5.844 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.593 5.178 -6.207 1.00 0.00 H new ATOM 39 N ASN A 3 7.070 4.692 -3.543 1.00 0.00 N ATOM 40 CA ASN A 3 6.365 5.067 -2.280 1.00 0.00 C ATOM 41 C ASN A 3 5.772 6.478 -2.387 1.00 0.00 C ATOM 42 O ASN A 3 4.838 6.818 -1.687 1.00 0.00 O ATOM 43 CB ASN A 3 7.361 5.030 -1.118 1.00 0.00 C ATOM 44 CG ASN A 3 8.346 6.195 -1.252 1.00 0.00 C ATOM 45 OD1 ASN A 3 9.291 6.122 -2.012 1.00 0.00 O ATOM 46 ND2 ASN A 3 8.162 7.274 -0.541 1.00 0.00 N ATOM 0 H ASN A 3 7.130 5.428 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 3 5.555 4.358 -2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.830 5.096 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.900 4.083 -1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.812 8.056 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.369 7.335 0.097 1.00 0.00 H new ATOM 53 N GLN A 4 6.311 7.310 -3.237 1.00 0.00 N ATOM 54 CA GLN A 4 5.784 8.699 -3.360 1.00 0.00 C ATOM 55 C GLN A 4 4.508 8.718 -4.211 1.00 0.00 C ATOM 56 O GLN A 4 4.559 8.710 -5.425 1.00 0.00 O ATOM 57 CB GLN A 4 6.847 9.581 -4.021 1.00 0.00 C ATOM 58 CG GLN A 4 7.477 8.834 -5.198 1.00 0.00 C ATOM 59 CD GLN A 4 7.558 9.764 -6.409 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.552 10.263 -6.874 1.00 0.00 O ATOM 61 NE2 GLN A 4 8.720 10.021 -6.943 1.00 0.00 N ATOM 0 H GLN A 4 7.094 7.087 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 4 5.547 9.077 -2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.397 10.512 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.614 9.849 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.473 8.483 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.884 7.953 -5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.564 9.602 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.784 10.641 -7.751 1.00 0.00 H new ATOM 70 N HIS A 5 3.361 8.763 -3.581 1.00 0.00 N ATOM 71 CA HIS A 5 2.081 8.806 -4.350 1.00 0.00 C ATOM 72 C HIS A 5 1.864 7.484 -5.093 1.00 0.00 C ATOM 73 O HIS A 5 2.756 6.982 -5.746 1.00 0.00 O ATOM 74 CB HIS A 5 2.152 9.941 -5.375 1.00 0.00 C ATOM 75 CG HIS A 5 1.270 11.078 -4.942 1.00 0.00 C ATOM 76 ND1 HIS A 5 1.441 12.348 -5.447 1.00 0.00 N ATOM 77 CD2 HIS A 5 0.219 11.122 -4.069 1.00 0.00 C ATOM 78 CE1 HIS A 5 0.505 13.118 -4.878 1.00 0.00 C ATOM 79 NE2 HIS A 5 -0.268 12.412 -4.028 1.00 0.00 N ATOM 0 H HIS A 5 3.256 8.772 -2.566 1.00 0.00 H new ATOM 0 HA HIS A 5 1.256 8.969 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.181 10.286 -5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.838 9.579 -6.354 1.00 0.00 H new ATOM 0 HD1 HIS A 5 2.144 12.644 -6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.166 10.285 -3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.384 14.173 -5.075 1.00 0.00 H new ATOM 87 N LEU A 6 0.678 6.926 -5.027 1.00 0.00 N ATOM 88 CA LEU A 6 0.426 5.652 -5.767 1.00 0.00 C ATOM 89 C LEU A 6 -1.069 5.495 -6.064 1.00 0.00 C ATOM 90 O LEU A 6 -1.455 4.999 -7.102 1.00 0.00 O ATOM 91 CB LEU A 6 0.910 4.428 -4.966 1.00 0.00 C ATOM 92 CG LEU A 6 1.558 4.846 -3.638 1.00 0.00 C ATOM 93 CD1 LEU A 6 0.508 5.422 -2.693 1.00 0.00 C ATOM 94 CD2 LEU A 6 2.195 3.619 -2.984 1.00 0.00 C ATOM 0 H LEU A 6 -0.115 7.292 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 6 0.986 5.703 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.068 3.765 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.628 3.863 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 6 2.314 5.606 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.983 5.714 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.045 6.295 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.255 4.669 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.657 3.908 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.428 2.867 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.954 3.206 -3.648 1.00 0.00 H new ATOM 106 N CYS A 7 -1.912 5.910 -5.165 1.00 0.00 N ATOM 107 CA CYS A 7 -3.378 5.773 -5.390 1.00 0.00 C ATOM 108 C CYS A 7 -3.723 4.297 -5.600 1.00 0.00 C ATOM 109 O CYS A 7 -2.923 3.535 -6.103 1.00 0.00 O ATOM 110 CB CYS A 7 -3.794 6.581 -6.621 1.00 0.00 C ATOM 111 SG CYS A 7 -5.405 7.345 -6.313 1.00 0.00 S ATOM 0 H CYS A 7 -1.649 6.341 -4.279 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.914 6.152 -4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.050 7.348 -6.836 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.847 5.933 -7.496 1.00 0.00 H new ATOM 116 N GLY A 8 -4.905 3.894 -5.193 1.00 0.00 N ATOM 117 CA GLY A 8 -5.342 2.465 -5.336 1.00 0.00 C ATOM 118 C GLY A 8 -4.604 1.782 -6.492 1.00 0.00 C ATOM 119 O GLY A 8 -3.969 0.761 -6.315 1.00 0.00 O ATOM 0 H GLY A 8 -5.597 4.505 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.150 1.927 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.417 2.425 -5.511 1.00 0.00 H new ATOM 123 N SER A 9 -4.678 2.341 -7.671 1.00 0.00 N ATOM 124 CA SER A 9 -3.975 1.724 -8.835 1.00 0.00 C ATOM 125 C SER A 9 -2.583 1.257 -8.400 1.00 0.00 C ATOM 126 O SER A 9 -2.333 0.075 -8.264 1.00 0.00 O ATOM 127 CB SER A 9 -3.844 2.756 -9.955 1.00 0.00 C ATOM 128 OG SER A 9 -5.090 2.879 -10.629 1.00 0.00 O ATOM 0 H SER A 9 -5.194 3.196 -7.879 1.00 0.00 H new ATOM 0 HA SER A 9 -4.547 0.869 -9.196 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.543 3.720 -9.544 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.067 2.452 -10.656 1.00 0.00 H new ATOM 0 HG SER A 9 -5.010 3.541 -11.347 1.00 0.00 H new ATOM 134 N ASP A 10 -1.677 2.169 -8.169 1.00 0.00 N ATOM 135 CA ASP A 10 -0.313 1.759 -7.733 1.00 0.00 C ATOM 136 C ASP A 10 -0.369 1.309 -6.274 1.00 0.00 C ATOM 137 O ASP A 10 0.447 0.532 -5.820 1.00 0.00 O ATOM 138 CB ASP A 10 0.658 2.936 -7.862 1.00 0.00 C ATOM 139 CG ASP A 10 1.015 3.144 -9.334 1.00 0.00 C ATOM 140 OD1 ASP A 10 0.218 2.763 -10.176 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.080 3.679 -9.595 1.00 0.00 O ATOM 0 H ASP A 10 -1.822 3.174 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 10 0.034 0.941 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.206 3.840 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.560 2.742 -7.282 1.00 0.00 H new ATOM 146 N LEU A 11 -1.330 1.792 -5.534 1.00 0.00 N ATOM 147 CA LEU A 11 -1.439 1.391 -4.106 1.00 0.00 C ATOM 148 C LEU A 11 -1.455 -0.134 -4.016 1.00 0.00 C ATOM 149 O LEU A 11 -0.830 -0.724 -3.158 1.00 0.00 O ATOM 150 CB LEU A 11 -2.743 1.943 -3.517 1.00 0.00 C ATOM 151 CG LEU A 11 -2.462 2.914 -2.359 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.319 2.391 -1.496 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.083 4.286 -2.919 1.00 0.00 C ATOM 0 H LEU A 11 -2.043 2.446 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.591 1.788 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.309 2.455 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.362 1.119 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.361 3.000 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.131 3.089 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.588 1.417 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.420 2.293 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.884 4.973 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.190 4.193 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.904 4.672 -3.523 1.00 0.00 H new ATOM 165 N VAL A 12 -2.170 -0.778 -4.898 1.00 0.00 N ATOM 166 CA VAL A 12 -2.228 -2.265 -4.864 1.00 0.00 C ATOM 167 C VAL A 12 -1.107 -2.841 -5.731 1.00 0.00 C ATOM 168 O VAL A 12 -0.413 -3.755 -5.329 1.00 0.00 O ATOM 169 CB VAL A 12 -3.586 -2.733 -5.386 1.00 0.00 C ATOM 170 CG1 VAL A 12 -4.699 -2.010 -4.635 1.00 0.00 C ATOM 171 CG2 VAL A 12 -3.700 -2.422 -6.875 1.00 0.00 C ATOM 0 H VAL A 12 -2.715 -0.338 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.099 -2.613 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.678 -3.808 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.667 -2.345 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.624 -2.233 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.603 -0.935 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.670 -2.757 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.604 -1.347 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.908 -2.939 -7.416 1.00 0.00 H new ATOM 181 N GLU A 13 -0.912 -2.313 -6.911 1.00 0.00 N ATOM 182 CA GLU A 13 0.181 -2.835 -7.781 1.00 0.00 C ATOM 183 C GLU A 13 1.438 -2.986 -6.927 1.00 0.00 C ATOM 184 O GLU A 13 2.232 -3.885 -7.112 1.00 0.00 O ATOM 185 CB GLU A 13 0.444 -1.852 -8.926 1.00 0.00 C ATOM 186 CG GLU A 13 1.797 -2.162 -9.572 1.00 0.00 C ATOM 187 CD GLU A 13 1.776 -3.577 -10.152 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.701 -4.039 -10.499 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.836 -4.174 -10.242 1.00 0.00 O ATOM 0 H GLU A 13 -1.458 -1.548 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.101 -3.798 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.350 -1.924 -9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.436 -0.829 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.010 -1.439 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.593 -2.073 -8.833 1.00 0.00 H new ATOM 196 N ALA A 14 1.603 -2.120 -5.968 1.00 0.00 N ATOM 197 CA ALA A 14 2.778 -2.213 -5.071 1.00 0.00 C ATOM 198 C ALA A 14 2.469 -3.284 -4.036 1.00 0.00 C ATOM 199 O ALA A 14 3.125 -4.296 -3.984 1.00 0.00 O ATOM 200 CB ALA A 14 3.018 -0.867 -4.383 1.00 0.00 C ATOM 0 H ALA A 14 0.968 -1.347 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 14 3.677 -2.468 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.884 -0.944 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.202 -0.101 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.140 -0.596 -3.797 1.00 0.00 H new ATOM 206 N LEU A 15 1.445 -3.082 -3.238 1.00 0.00 N ATOM 207 CA LEU A 15 1.058 -4.111 -2.229 1.00 0.00 C ATOM 208 C LEU A 15 1.237 -5.485 -2.864 1.00 0.00 C ATOM 209 O LEU A 15 1.602 -6.447 -2.218 1.00 0.00 O ATOM 210 CB LEU A 15 -0.409 -3.917 -1.839 1.00 0.00 C ATOM 211 CG LEU A 15 -0.494 -3.440 -0.390 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.551 -2.342 -0.275 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.881 -4.616 0.508 1.00 0.00 C ATOM 0 H LEU A 15 0.862 -2.245 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 15 1.678 -4.020 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.879 -3.189 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.954 -4.853 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 15 0.473 -3.045 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.611 -2.002 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.277 -1.505 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.519 -2.735 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.942 -4.279 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.849 -5.009 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.128 -5.400 0.426 1.00 0.00 H new ATOM 225 N TYR A 16 1.021 -5.560 -4.149 1.00 0.00 N ATOM 226 CA TYR A 16 1.217 -6.841 -4.864 1.00 0.00 C ATOM 227 C TYR A 16 2.724 -7.121 -4.879 1.00 0.00 C ATOM 228 O TYR A 16 3.189 -8.127 -4.377 1.00 0.00 O ATOM 229 CB TYR A 16 0.656 -6.709 -6.300 1.00 0.00 C ATOM 230 CG TYR A 16 1.642 -7.223 -7.330 1.00 0.00 C ATOM 231 CD1 TYR A 16 2.137 -8.530 -7.233 1.00 0.00 C ATOM 232 CD2 TYR A 16 2.058 -6.392 -8.379 1.00 0.00 C ATOM 233 CE1 TYR A 16 3.049 -9.006 -8.185 1.00 0.00 C ATOM 234 CE2 TYR A 16 2.970 -6.868 -9.330 1.00 0.00 C ATOM 235 CZ TYR A 16 3.465 -8.175 -9.234 1.00 0.00 C ATOM 236 OH TYR A 16 4.364 -8.644 -10.170 1.00 0.00 O ATOM 0 H TYR A 16 0.716 -4.781 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 16 0.694 -7.664 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.278 -7.265 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.424 -5.664 -6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.816 -9.171 -6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.676 -5.385 -8.454 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.431 -10.013 -8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.292 -6.227 -10.138 1.00 0.00 H new ATOM 0 HH TYR A 16 4.546 -7.942 -10.829 1.00 0.00 H new ATOM 246 N LEU A 17 3.491 -6.216 -5.433 1.00 0.00 N ATOM 247 CA LEU A 17 4.971 -6.415 -5.469 1.00 0.00 C ATOM 248 C LEU A 17 5.526 -6.301 -4.048 1.00 0.00 C ATOM 249 O LEU A 17 6.650 -6.666 -3.773 1.00 0.00 O ATOM 250 CB LEU A 17 5.610 -5.342 -6.353 1.00 0.00 C ATOM 251 CG LEU A 17 6.587 -5.997 -7.329 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.264 -5.546 -8.754 1.00 0.00 C ATOM 253 CD2 LEU A 17 8.018 -5.583 -6.976 1.00 0.00 C ATOM 0 H LEU A 17 3.158 -5.352 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 17 5.199 -7.400 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.839 -4.802 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.132 -4.611 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 17 6.495 -7.081 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.961 -6.013 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.246 -5.841 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.355 -4.462 -8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.714 -6.050 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.110 -4.499 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.250 -5.904 -5.961 1.00 0.00 H new ATOM 265 N VAL A 18 4.737 -5.785 -3.149 1.00 0.00 N ATOM 266 CA VAL A 18 5.186 -5.625 -1.742 1.00 0.00 C ATOM 267 C VAL A 18 5.351 -6.992 -1.096 1.00 0.00 C ATOM 268 O VAL A 18 6.329 -7.272 -0.433 1.00 0.00 O ATOM 269 CB VAL A 18 4.123 -4.831 -0.986 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.375 -4.909 0.517 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.179 -3.377 -1.432 1.00 0.00 C ATOM 0 H VAL A 18 3.787 -5.463 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 18 6.142 -5.102 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 18 3.141 -5.251 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.610 -4.339 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.338 -5.950 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.357 -4.494 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.423 -2.803 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.166 -2.968 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.989 -3.318 -2.504 1.00 0.00 H new ATOM 281 N CYS A 19 4.390 -7.838 -1.283 1.00 0.00 N ATOM 282 CA CYS A 19 4.470 -9.201 -0.674 1.00 0.00 C ATOM 283 C CYS A 19 4.834 -10.233 -1.743 1.00 0.00 C ATOM 284 O CYS A 19 5.790 -10.969 -1.602 1.00 0.00 O ATOM 285 CB CYS A 19 3.130 -9.573 -0.026 1.00 0.00 C ATOM 286 SG CYS A 19 1.754 -9.017 -1.064 1.00 0.00 S ATOM 0 H CYS A 19 3.549 -7.654 -1.830 1.00 0.00 H new ATOM 0 HA CYS A 19 5.244 -9.195 0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.074 -10.652 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.057 -9.117 0.961 1.00 0.00 H new ATOM 291 N GLY A 20 4.085 -10.296 -2.809 1.00 0.00 N ATOM 292 CA GLY A 20 4.400 -11.286 -3.876 1.00 0.00 C ATOM 293 C GLY A 20 3.291 -11.278 -4.927 1.00 0.00 C ATOM 294 O GLY A 20 3.366 -10.580 -5.918 1.00 0.00 O ATOM 0 H GLY A 20 3.271 -9.707 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.356 -11.044 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.498 -12.282 -3.444 1.00 0.00 H new ATOM 298 N GLU A 21 2.260 -12.051 -4.722 1.00 0.00 N ATOM 299 CA GLU A 21 1.149 -12.088 -5.712 1.00 0.00 C ATOM 300 C GLU A 21 0.064 -13.054 -5.235 1.00 0.00 C ATOM 301 O GLU A 21 -0.371 -13.921 -5.965 1.00 0.00 O ATOM 302 CB GLU A 21 1.687 -12.558 -7.066 1.00 0.00 C ATOM 303 CG GLU A 21 0.728 -12.122 -8.176 1.00 0.00 C ATOM 304 CD GLU A 21 1.130 -12.788 -9.493 1.00 0.00 C ATOM 305 OE1 GLU A 21 1.238 -14.003 -9.512 1.00 0.00 O ATOM 306 OE2 GLU A 21 1.321 -12.072 -10.462 1.00 0.00 O ATOM 0 H GLU A 21 2.140 -12.658 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 21 0.725 -11.089 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.678 -12.138 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.795 -13.643 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.294 -12.396 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.750 -11.038 -8.284 1.00 0.00 H new ATOM 313 N ARG A 22 -0.385 -12.909 -4.018 1.00 0.00 N ATOM 314 CA ARG A 22 -1.447 -13.820 -3.510 1.00 0.00 C ATOM 315 C ARG A 22 -2.598 -12.981 -2.956 1.00 0.00 C ATOM 316 O ARG A 22 -3.178 -13.296 -1.935 1.00 0.00 O ATOM 317 CB ARG A 22 -0.874 -14.711 -2.407 1.00 0.00 C ATOM 318 CG ARG A 22 0.216 -15.610 -2.995 1.00 0.00 C ATOM 319 CD ARG A 22 1.274 -15.901 -1.928 1.00 0.00 C ATOM 320 NE ARG A 22 0.703 -16.812 -0.897 1.00 0.00 N ATOM 321 CZ ARG A 22 1.124 -16.749 0.335 1.00 0.00 C ATOM 322 NH1 ARG A 22 2.381 -16.500 0.583 1.00 0.00 N ATOM 323 NH2 ARG A 22 0.289 -16.937 1.320 1.00 0.00 N ATOM 0 H ARG A 22 -0.063 -12.202 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.812 -14.451 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.462 -14.097 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.665 -15.319 -1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.221 -16.543 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.677 -15.125 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.152 -16.357 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.604 -14.971 -1.464 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.018 -17.486 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.034 -16.355 -0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.711 -16.451 1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.693 -17.133 1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.618 -16.888 2.284 1.00 0.00 H new ATOM 337 N GLY A 23 -2.931 -11.910 -3.624 1.00 0.00 N ATOM 338 CA GLY A 23 -4.042 -11.043 -3.141 1.00 0.00 C ATOM 339 C GLY A 23 -3.603 -10.318 -1.868 1.00 0.00 C ATOM 340 O GLY A 23 -2.951 -10.884 -1.015 1.00 0.00 O ATOM 0 H GLY A 23 -2.481 -11.598 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.314 -10.319 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.928 -11.645 -2.942 1.00 0.00 H new ATOM 344 N PHE A 24 -3.957 -9.071 -1.729 1.00 0.00 N ATOM 345 CA PHE A 24 -3.559 -8.323 -0.502 1.00 0.00 C ATOM 346 C PHE A 24 -4.805 -8.030 0.333 1.00 0.00 C ATOM 347 O PHE A 24 -5.920 -8.187 -0.123 1.00 0.00 O ATOM 348 CB PHE A 24 -2.875 -6.994 -0.869 1.00 0.00 C ATOM 349 CG PHE A 24 -3.112 -6.666 -2.324 1.00 0.00 C ATOM 350 CD1 PHE A 24 -4.398 -6.330 -2.769 1.00 0.00 C ATOM 351 CD2 PHE A 24 -2.042 -6.697 -3.227 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.610 -6.025 -4.120 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.256 -6.394 -4.574 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.539 -6.058 -5.021 1.00 0.00 C ATOM 0 H PHE A 24 -4.502 -8.539 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.856 -8.933 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.263 -6.192 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.805 -7.062 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.223 -6.306 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.052 -6.955 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.599 -5.765 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.431 -6.419 -5.271 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.703 -5.824 -6.062 1.00 0.00 H new ATOM 364 N PHE A 25 -4.626 -7.602 1.552 1.00 0.00 N ATOM 365 CA PHE A 25 -5.805 -7.296 2.413 1.00 0.00 C ATOM 366 C PHE A 25 -6.333 -5.898 2.076 1.00 0.00 C ATOM 367 O PHE A 25 -6.565 -5.085 2.948 1.00 0.00 O ATOM 368 CB PHE A 25 -5.383 -7.341 3.884 1.00 0.00 C ATOM 369 CG PHE A 25 -6.609 -7.272 4.766 1.00 0.00 C ATOM 370 CD1 PHE A 25 -7.714 -8.095 4.504 1.00 0.00 C ATOM 371 CD2 PHE A 25 -6.640 -6.384 5.850 1.00 0.00 C ATOM 372 CE1 PHE A 25 -8.847 -8.030 5.326 1.00 0.00 C ATOM 373 CE2 PHE A 25 -7.773 -6.318 6.671 1.00 0.00 C ATOM 374 CZ PHE A 25 -8.877 -7.141 6.409 1.00 0.00 C ATOM 0 H PHE A 25 -3.717 -7.451 1.989 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.589 -8.033 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.829 -8.258 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.715 -6.509 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.692 -8.779 3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.789 -5.750 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.697 -8.665 5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.796 -5.633 7.506 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.751 -7.090 7.042 1.00 0.00 H new ATOM 384 N TYR A 26 -6.525 -5.613 0.815 1.00 0.00 N ATOM 385 CA TYR A 26 -7.036 -4.269 0.426 1.00 0.00 C ATOM 386 C TYR A 26 -8.562 -4.244 0.560 1.00 0.00 C ATOM 387 O TYR A 26 -9.277 -4.047 -0.402 1.00 0.00 O ATOM 388 CB TYR A 26 -6.638 -3.969 -1.024 1.00 0.00 C ATOM 389 CG TYR A 26 -5.935 -2.632 -1.081 1.00 0.00 C ATOM 390 CD1 TYR A 26 -4.989 -2.303 -0.101 1.00 0.00 C ATOM 391 CD2 TYR A 26 -6.234 -1.718 -2.102 1.00 0.00 C ATOM 392 CE1 TYR A 26 -4.344 -1.061 -0.137 1.00 0.00 C ATOM 393 CE2 TYR A 26 -5.585 -0.476 -2.139 1.00 0.00 C ATOM 394 CZ TYR A 26 -4.641 -0.147 -1.155 1.00 0.00 C ATOM 395 OH TYR A 26 -4.005 1.077 -1.189 1.00 0.00 O ATOM 0 H TYR A 26 -6.350 -6.253 0.040 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.605 -3.512 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.984 -4.754 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.522 -3.956 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.757 -3.009 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.963 -1.971 -2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.617 -0.808 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.812 0.228 -2.926 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.782 1.355 -0.276 1.00 0.00 H new ATOM 405 N THR A 27 -9.065 -4.442 1.750 1.00 0.00 N ATOM 406 CA THR A 27 -10.543 -4.433 1.950 1.00 0.00 C ATOM 407 C THR A 27 -10.866 -3.980 3.376 1.00 0.00 C ATOM 408 O THR A 27 -11.359 -4.745 4.181 1.00 0.00 O ATOM 409 CB THR A 27 -11.096 -5.843 1.730 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.044 -6.704 1.315 1.00 0.00 O ATOM 411 CG2 THR A 27 -12.182 -5.808 0.654 1.00 0.00 C ATOM 0 H THR A 27 -8.515 -4.610 2.593 1.00 0.00 H new ATOM 0 HA THR A 27 -10.999 -3.745 1.238 1.00 0.00 H new ATOM 0 HB THR A 27 -11.524 -6.213 2.662 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.397 -7.608 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.574 -6.813 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.989 -5.149 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.758 -5.437 -0.279 1.00 0.00 H new ATOM 419 N ASP A 28 -10.596 -2.744 3.695 1.00 0.00 N ATOM 420 CA ASP A 28 -10.891 -2.247 5.070 1.00 0.00 C ATOM 421 C ASP A 28 -11.527 -0.851 4.976 1.00 0.00 C ATOM 422 O ASP A 28 -12.539 -0.670 4.330 1.00 0.00 O ATOM 423 CB ASP A 28 -9.589 -2.190 5.874 1.00 0.00 C ATOM 424 CG ASP A 28 -9.915 -2.017 7.358 1.00 0.00 C ATOM 425 OD1 ASP A 28 -11.061 -2.226 7.721 1.00 0.00 O ATOM 426 OD2 ASP A 28 -9.013 -1.678 8.108 1.00 0.00 O ATOM 0 H ASP A 28 -10.184 -2.057 3.064 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.587 -2.919 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.014 -3.103 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.971 -1.362 5.527 1.00 0.00 H new ATOM 431 N LYS A 29 -10.945 0.142 5.602 1.00 0.00 N ATOM 432 CA LYS A 29 -11.527 1.511 5.525 1.00 0.00 C ATOM 433 C LYS A 29 -11.061 2.165 4.228 1.00 0.00 C ATOM 434 O LYS A 29 -10.531 1.511 3.351 1.00 0.00 O ATOM 435 CB LYS A 29 -11.038 2.335 6.719 1.00 0.00 C ATOM 436 CG LYS A 29 -11.771 1.889 7.986 1.00 0.00 C ATOM 437 CD LYS A 29 -11.704 3.004 9.032 1.00 0.00 C ATOM 438 CE LYS A 29 -12.098 2.448 10.401 1.00 0.00 C ATOM 439 NZ LYS A 29 -11.413 3.231 11.469 1.00 0.00 N ATOM 0 H LYS A 29 -10.095 0.061 6.160 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.616 1.460 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.963 2.208 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.215 3.395 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.810 1.654 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.319 0.979 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.697 3.418 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.372 3.819 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.179 2.503 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.822 1.396 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.680 2.854 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.383 3.157 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.698 4.229 11.405 1.00 0.00 H new ATOM 453 N GLY A 30 -11.230 3.449 4.098 1.00 0.00 N ATOM 454 CA GLY A 30 -10.766 4.116 2.857 1.00 0.00 C ATOM 455 C GLY A 30 -9.277 3.841 2.732 1.00 0.00 C ATOM 456 O GLY A 30 -8.829 3.183 1.816 1.00 0.00 O ATOM 0 H GLY A 30 -11.665 4.059 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.303 3.732 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.957 5.188 2.901 1.00 0.00 H new ATOM 460 N ILE A 31 -8.519 4.310 3.684 1.00 0.00 N ATOM 461 CA ILE A 31 -7.041 4.069 3.688 1.00 0.00 C ATOM 462 C ILE A 31 -6.378 4.666 2.429 1.00 0.00 C ATOM 463 O ILE A 31 -5.451 5.444 2.526 1.00 0.00 O ATOM 464 CB ILE A 31 -6.791 2.548 3.805 1.00 0.00 C ATOM 465 CG1 ILE A 31 -6.018 2.268 5.096 1.00 0.00 C ATOM 466 CG2 ILE A 31 -5.988 2.010 2.614 1.00 0.00 C ATOM 467 CD1 ILE A 31 -6.490 0.941 5.696 1.00 0.00 C ATOM 0 H ILE A 31 -8.862 4.858 4.472 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.586 4.570 4.542 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.758 2.046 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.948 2.226 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.174 3.078 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.833 0.938 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.537 2.196 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.022 2.513 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.940 0.741 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.556 1.000 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.311 0.136 4.984 1.00 0.00 H new ATOM 479 N VAL A 32 -6.841 4.317 1.258 1.00 0.00 N ATOM 480 CA VAL A 32 -6.235 4.870 0.018 1.00 0.00 C ATOM 481 C VAL A 32 -6.468 6.378 -0.022 1.00 0.00 C ATOM 482 O VAL A 32 -5.915 7.081 -0.844 1.00 0.00 O ATOM 483 CB VAL A 32 -6.894 4.223 -1.202 1.00 0.00 C ATOM 484 CG1 VAL A 32 -6.371 4.883 -2.479 1.00 0.00 C ATOM 485 CG2 VAL A 32 -6.564 2.729 -1.228 1.00 0.00 C ATOM 0 H VAL A 32 -7.616 3.670 1.109 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.165 4.661 0.007 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.974 4.356 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.842 4.421 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.607 5.947 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.291 4.752 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.033 2.268 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.484 2.596 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.940 2.258 -0.320 1.00 0.00 H new ATOM 495 N GLU A 33 -7.285 6.881 0.862 1.00 0.00 N ATOM 496 CA GLU A 33 -7.552 8.338 0.871 1.00 0.00 C ATOM 497 C GLU A 33 -6.357 9.077 1.483 1.00 0.00 C ATOM 498 O GLU A 33 -6.368 10.284 1.622 1.00 0.00 O ATOM 499 CB GLU A 33 -8.812 8.622 1.692 1.00 0.00 C ATOM 500 CG GLU A 33 -10.049 8.345 0.836 1.00 0.00 C ATOM 501 CD GLU A 33 -10.490 9.635 0.143 1.00 0.00 C ATOM 502 OE1 GLU A 33 -9.626 10.432 -0.186 1.00 0.00 O ATOM 503 OE2 GLU A 33 -11.683 9.804 -0.047 1.00 0.00 O ATOM 0 H GLU A 33 -7.776 6.343 1.576 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.702 8.685 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.826 7.997 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.814 9.659 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.826 7.579 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.856 7.960 1.459 1.00 0.00 H new ATOM 510 N GLN A 34 -5.326 8.363 1.851 1.00 0.00 N ATOM 511 CA GLN A 34 -4.136 9.032 2.453 1.00 0.00 C ATOM 512 C GLN A 34 -2.878 8.662 1.661 1.00 0.00 C ATOM 513 O GLN A 34 -1.851 9.299 1.782 1.00 0.00 O ATOM 514 CB GLN A 34 -3.977 8.577 3.905 1.00 0.00 C ATOM 515 CG GLN A 34 -5.354 8.497 4.567 1.00 0.00 C ATOM 516 CD GLN A 34 -5.197 8.551 6.088 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.403 9.584 6.695 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.839 7.476 6.733 1.00 0.00 N ATOM 0 H GLN A 34 -5.257 7.349 1.761 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.276 10.113 2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.487 7.604 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.340 9.275 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.981 9.321 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.856 7.574 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.666 6.609 6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.732 7.502 7.747 1.00 0.00 H new ATOM 527 N CYS A 35 -2.947 7.640 0.852 1.00 0.00 N ATOM 528 CA CYS A 35 -1.750 7.235 0.057 1.00 0.00 C ATOM 529 C CYS A 35 -1.926 7.681 -1.400 1.00 0.00 C ATOM 530 O CYS A 35 -1.053 7.493 -2.227 1.00 0.00 O ATOM 531 CB CYS A 35 -1.587 5.712 0.109 1.00 0.00 C ATOM 532 SG CYS A 35 -1.269 5.172 1.813 1.00 0.00 S ATOM 0 H CYS A 35 -3.779 7.068 0.706 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.862 7.708 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.488 5.230 -0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.764 5.405 -0.537 1.00 0.00 H new ATOM 537 N CYS A 36 -3.045 8.273 -1.724 1.00 0.00 N ATOM 538 CA CYS A 36 -3.267 8.733 -3.125 1.00 0.00 C ATOM 539 C CYS A 36 -3.063 10.249 -3.194 1.00 0.00 C ATOM 540 O CYS A 36 -2.607 10.781 -4.188 1.00 0.00 O ATOM 541 CB CYS A 36 -4.698 8.402 -3.558 1.00 0.00 C ATOM 542 SG CYS A 36 -4.970 9.004 -5.246 1.00 0.00 S ATOM 0 H CYS A 36 -3.814 8.457 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.562 8.230 -3.786 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.864 7.326 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.412 8.863 -2.876 1.00 0.00 H new ATOM 547 N THR A 37 -3.403 10.946 -2.144 1.00 0.00 N ATOM 548 CA THR A 37 -3.236 12.426 -2.143 1.00 0.00 C ATOM 549 C THR A 37 -1.961 12.793 -1.384 1.00 0.00 C ATOM 550 O THR A 37 -1.448 13.888 -1.505 1.00 0.00 O ATOM 551 CB THR A 37 -4.440 13.072 -1.454 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.303 14.486 -1.496 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.506 12.606 0.001 1.00 0.00 C ATOM 0 H THR A 37 -3.790 10.553 -1.286 1.00 0.00 H new ATOM 0 HA THR A 37 -3.166 12.786 -3.170 1.00 0.00 H new ATOM 0 HB THR A 37 -5.356 12.780 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.074 14.903 -1.057 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.364 13.066 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.609 11.521 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.592 12.898 0.518 1.00 0.00 H new ATOM 561 N SER A 38 -1.441 11.884 -0.608 1.00 0.00 N ATOM 562 CA SER A 38 -0.197 12.178 0.155 1.00 0.00 C ATOM 563 C SER A 38 0.647 10.906 0.248 1.00 0.00 C ATOM 564 O SER A 38 0.219 9.837 -0.139 1.00 0.00 O ATOM 565 CB SER A 38 -0.560 12.658 1.561 1.00 0.00 C ATOM 566 OG SER A 38 0.624 13.045 2.246 1.00 0.00 O ATOM 0 H SER A 38 -1.824 10.949 -0.469 1.00 0.00 H new ATOM 0 HA SER A 38 0.370 12.957 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.252 13.498 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.068 11.864 2.109 1.00 0.00 H new ATOM 0 HG SER A 38 0.394 13.355 3.147 1.00 0.00 H new ATOM 572 N ILE A 39 1.846 11.009 0.754 1.00 0.00 N ATOM 573 CA ILE A 39 2.710 9.801 0.864 1.00 0.00 C ATOM 574 C ILE A 39 2.439 9.103 2.199 1.00 0.00 C ATOM 575 O ILE A 39 2.088 9.731 3.178 1.00 0.00 O ATOM 576 CB ILE A 39 4.180 10.218 0.774 1.00 0.00 C ATOM 577 CG1 ILE A 39 4.515 10.533 -0.682 1.00 0.00 C ATOM 578 CG2 ILE A 39 5.075 9.074 1.252 1.00 0.00 C ATOM 579 CD1 ILE A 39 3.670 11.713 -1.164 1.00 0.00 C ATOM 0 H ILE A 39 2.263 11.875 1.095 1.00 0.00 H new ATOM 0 HA ILE A 39 2.487 9.111 0.051 1.00 0.00 H new ATOM 0 HB ILE A 39 4.348 11.094 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.575 10.769 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.326 9.659 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.120 9.377 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.833 8.831 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.911 8.197 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.913 11.934 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.613 11.460 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.881 12.587 -0.548 1.00 0.00 H new ATOM 591 N CYS A 40 2.585 7.807 2.243 1.00 0.00 N ATOM 592 CA CYS A 40 2.318 7.070 3.509 1.00 0.00 C ATOM 593 C CYS A 40 3.629 6.491 4.068 1.00 0.00 C ATOM 594 O CYS A 40 4.494 7.223 4.506 1.00 0.00 O ATOM 595 CB CYS A 40 1.309 5.954 3.225 1.00 0.00 C ATOM 596 SG CYS A 40 -0.246 6.697 2.660 1.00 0.00 S ATOM 0 H CYS A 40 2.878 7.227 1.457 1.00 0.00 H new ATOM 0 HA CYS A 40 1.904 7.748 4.256 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.700 5.276 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.139 5.362 4.124 1.00 0.00 H new ATOM 601 N SER A 41 3.791 5.190 4.067 1.00 0.00 N ATOM 602 CA SER A 41 5.045 4.600 4.606 1.00 0.00 C ATOM 603 C SER A 41 5.194 3.171 4.088 1.00 0.00 C ATOM 604 O SER A 41 4.656 2.240 4.654 1.00 0.00 O ATOM 605 CB SER A 41 4.992 4.588 6.134 1.00 0.00 C ATOM 606 OG SER A 41 5.873 5.581 6.643 1.00 0.00 O ATOM 0 H SER A 41 3.109 4.517 3.717 1.00 0.00 H new ATOM 0 HA SER A 41 5.897 5.197 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.975 4.779 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.276 3.606 6.511 1.00 0.00 H new ATOM 0 HG SER A 41 5.753 6.414 6.140 1.00 0.00 H new ATOM 612 N LEU A 42 5.918 3.002 3.012 1.00 0.00 N ATOM 613 CA LEU A 42 6.128 1.641 2.422 1.00 0.00 C ATOM 614 C LEU A 42 6.156 0.592 3.536 1.00 0.00 C ATOM 615 O LEU A 42 5.645 -0.500 3.388 1.00 0.00 O ATOM 616 CB LEU A 42 7.465 1.632 1.662 1.00 0.00 C ATOM 617 CG LEU A 42 7.971 0.197 1.441 1.00 0.00 C ATOM 618 CD1 LEU A 42 8.644 -0.318 2.716 1.00 0.00 C ATOM 619 CD2 LEU A 42 6.805 -0.725 1.065 1.00 0.00 C ATOM 0 H LEU A 42 6.380 3.759 2.508 1.00 0.00 H new ATOM 0 HA LEU A 42 5.313 1.404 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.342 2.129 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.208 2.200 2.222 1.00 0.00 H new ATOM 0 HG LEU A 42 8.695 0.202 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.001 -1.335 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.486 0.326 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.925 -0.312 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.177 -1.738 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.069 -0.727 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.339 -0.366 0.147 1.00 0.00 H new ATOM 631 N TYR A 43 6.743 0.921 4.652 1.00 0.00 N ATOM 632 CA TYR A 43 6.799 -0.051 5.778 1.00 0.00 C ATOM 633 C TYR A 43 5.376 -0.367 6.245 1.00 0.00 C ATOM 634 O TYR A 43 4.993 -1.513 6.370 1.00 0.00 O ATOM 635 CB TYR A 43 7.594 0.558 6.936 1.00 0.00 C ATOM 636 CG TYR A 43 7.575 -0.390 8.108 1.00 0.00 C ATOM 637 CD1 TYR A 43 8.435 -1.495 8.129 1.00 0.00 C ATOM 638 CD2 TYR A 43 6.696 -0.165 9.174 1.00 0.00 C ATOM 639 CE1 TYR A 43 8.416 -2.377 9.217 1.00 0.00 C ATOM 640 CE2 TYR A 43 6.675 -1.048 10.262 1.00 0.00 C ATOM 641 CZ TYR A 43 7.535 -2.153 10.284 1.00 0.00 C ATOM 642 OH TYR A 43 7.513 -3.023 11.355 1.00 0.00 O ATOM 0 H TYR A 43 7.187 1.821 4.833 1.00 0.00 H new ATOM 0 HA TYR A 43 7.286 -0.968 5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.621 0.750 6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.163 1.517 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.113 -1.667 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.034 0.689 9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.080 -3.229 9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.995 -0.876 11.084 1.00 0.00 H new ATOM 0 HH TYR A 43 6.847 -2.722 12.007 1.00 0.00 H new ATOM 652 N GLN A 44 4.586 0.642 6.499 1.00 0.00 N ATOM 653 CA GLN A 44 3.187 0.400 6.951 1.00 0.00 C ATOM 654 C GLN A 44 2.406 -0.288 5.829 1.00 0.00 C ATOM 655 O GLN A 44 1.726 -1.270 6.044 1.00 0.00 O ATOM 656 CB GLN A 44 2.523 1.735 7.296 1.00 0.00 C ATOM 657 CG GLN A 44 2.751 2.050 8.776 1.00 0.00 C ATOM 658 CD GLN A 44 1.593 2.898 9.304 1.00 0.00 C ATOM 659 OE1 GLN A 44 0.444 2.626 9.016 1.00 0.00 O ATOM 660 NE2 GLN A 44 1.847 3.921 10.074 1.00 0.00 N ATOM 0 H GLN A 44 4.850 1.623 6.413 1.00 0.00 H new ATOM 0 HA GLN A 44 3.193 -0.238 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.937 2.530 6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.455 1.688 7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.828 1.125 9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.693 2.583 8.904 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.811 4.150 10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.081 4.491 10.433 1.00 0.00 H new ATOM 669 N LEU A 45 2.507 0.218 4.631 1.00 0.00 N ATOM 670 CA LEU A 45 1.781 -0.411 3.491 1.00 0.00 C ATOM 671 C LEU A 45 2.255 -1.860 3.341 1.00 0.00 C ATOM 672 O LEU A 45 1.571 -2.698 2.784 1.00 0.00 O ATOM 673 CB LEU A 45 2.079 0.383 2.210 1.00 0.00 C ATOM 674 CG LEU A 45 1.810 -0.481 0.974 1.00 0.00 C ATOM 675 CD1 LEU A 45 1.517 0.423 -0.225 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.043 -1.337 0.671 1.00 0.00 C ATOM 0 H LEU A 45 3.061 1.040 4.392 1.00 0.00 H new ATOM 0 HA LEU A 45 0.706 -0.403 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.460 1.279 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.118 0.713 2.212 1.00 0.00 H new ATOM 0 HG LEU A 45 0.953 -1.128 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.325 -0.191 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.641 1.036 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.375 1.068 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.852 -1.952 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.898 -0.689 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.258 -1.981 1.524 1.00 0.00 H new ATOM 688 N GLU A 46 3.424 -2.156 3.840 1.00 0.00 N ATOM 689 CA GLU A 46 3.960 -3.543 3.738 1.00 0.00 C ATOM 690 C GLU A 46 3.076 -4.511 4.531 1.00 0.00 C ATOM 691 O GLU A 46 3.253 -5.710 4.471 1.00 0.00 O ATOM 692 CB GLU A 46 5.379 -3.574 4.310 1.00 0.00 C ATOM 693 CG GLU A 46 6.242 -4.533 3.488 1.00 0.00 C ATOM 694 CD GLU A 46 5.868 -5.977 3.827 1.00 0.00 C ATOM 695 OE1 GLU A 46 5.773 -6.282 5.005 1.00 0.00 O ATOM 696 OE2 GLU A 46 5.683 -6.753 2.905 1.00 0.00 O ATOM 0 H GLU A 46 4.034 -1.492 4.317 1.00 0.00 H new ATOM 0 HA GLU A 46 3.970 -3.847 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.811 -2.573 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.355 -3.892 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.096 -4.349 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.297 -4.361 3.699 1.00 0.00 H new ATOM 703 N ASN A 47 2.134 -4.006 5.282 1.00 0.00 N ATOM 704 CA ASN A 47 1.260 -4.914 6.077 1.00 0.00 C ATOM 705 C ASN A 47 -0.178 -4.865 5.551 1.00 0.00 C ATOM 706 O ASN A 47 -1.123 -4.833 6.315 1.00 0.00 O ATOM 707 CB ASN A 47 1.275 -4.478 7.544 1.00 0.00 C ATOM 708 CG ASN A 47 0.880 -5.658 8.432 1.00 0.00 C ATOM 709 OD1 ASN A 47 1.447 -6.729 8.328 1.00 0.00 O ATOM 710 ND2 ASN A 47 -0.076 -5.509 9.308 1.00 0.00 N ATOM 0 H ASN A 47 1.933 -3.011 5.379 1.00 0.00 H new ATOM 0 HA ASN A 47 1.637 -5.933 5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.267 -4.120 7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.584 -3.649 7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.347 -6.290 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.552 -4.611 9.396 1.00 0.00 H new ATOM 717 N TYR A 48 -0.360 -4.866 4.258 1.00 0.00 N ATOM 718 CA TYR A 48 -1.746 -4.828 3.708 1.00 0.00 C ATOM 719 C TYR A 48 -1.940 -5.992 2.737 1.00 0.00 C ATOM 720 O TYR A 48 -2.850 -5.994 1.933 1.00 0.00 O ATOM 721 CB TYR A 48 -1.971 -3.509 2.967 1.00 0.00 C ATOM 722 CG TYR A 48 -2.269 -2.413 3.964 1.00 0.00 C ATOM 723 CD1 TYR A 48 -1.219 -1.695 4.551 1.00 0.00 C ATOM 724 CD2 TYR A 48 -3.597 -2.115 4.301 1.00 0.00 C ATOM 725 CE1 TYR A 48 -1.496 -0.679 5.476 1.00 0.00 C ATOM 726 CE2 TYR A 48 -3.873 -1.098 5.226 1.00 0.00 C ATOM 727 CZ TYR A 48 -2.823 -0.380 5.812 1.00 0.00 C ATOM 728 OH TYR A 48 -3.094 0.622 6.721 1.00 0.00 O ATOM 0 H TYR A 48 0.386 -4.891 3.562 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.460 -4.910 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.087 -3.253 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.799 -3.611 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.196 -1.924 4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.407 -2.668 3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.687 -0.127 5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.896 -0.868 5.487 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.392 1.304 6.675 1.00 0.00 H new ATOM 738 N CYS A 49 -1.092 -6.982 2.800 1.00 0.00 N ATOM 739 CA CYS A 49 -1.234 -8.137 1.872 1.00 0.00 C ATOM 740 C CYS A 49 -2.017 -9.262 2.552 1.00 0.00 C ATOM 741 O CYS A 49 -2.483 -9.121 3.667 1.00 0.00 O ATOM 742 CB CYS A 49 0.150 -8.649 1.477 1.00 0.00 C ATOM 743 SG CYS A 49 0.782 -7.673 0.090 1.00 0.00 S ATOM 0 H CYS A 49 -0.310 -7.040 3.452 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.773 -7.813 0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.831 -8.579 2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.094 -9.702 1.199 1.00 0.00 H new ATOM 748 N ASN A 50 -2.166 -10.379 1.892 1.00 0.00 N ATOM 749 CA ASN A 50 -2.919 -11.510 2.505 1.00 0.00 C ATOM 750 C ASN A 50 -1.936 -12.487 3.151 1.00 0.00 C ATOM 751 O ASN A 50 -0.744 -12.317 2.951 1.00 0.00 O ATOM 752 CB ASN A 50 -3.723 -12.236 1.427 1.00 0.00 C ATOM 753 CG ASN A 50 -5.014 -11.464 1.147 1.00 0.00 C ATOM 754 OD1 ASN A 50 -5.140 -10.815 0.128 1.00 0.00 O ATOM 755 ND2 ASN A 50 -5.986 -11.507 2.016 1.00 0.00 N ATOM 756 OXT ASN A 50 -2.391 -13.390 3.832 1.00 0.00 O ATOM 0 H ASN A 50 -1.800 -10.557 0.957 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.599 -11.122 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.133 -12.322 0.515 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.956 -13.250 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.851 -10.996 1.839 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.881 -12.052 2.872 1.00 0.00 H new TER 763 ASN A 50