USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 483 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 56 ASN : amide:sc= -4.58 K(o=-4.6,f=-7.6!) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -152:sc= -0.329 (180deg=-1.71) USER MOD Single : A 26 CYS SG : rot 110:sc= -2.85 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -9:sc= 0.529 USER MOD Single : A 35 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.6!) USER MOD Single : A 36 SER OG : rot 90:sc= 0.00337 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0832 K(o=-0.083,f=-0.79) USER MOD Single : A 46 MET CE :methyl -133:sc= -0.896 (180deg=-2.51!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -16! C(o=-16!,f=-17!) USER MOD Single : A 49 MET CE :methyl 141:sc= -1.59 (180deg=-5.89!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 28:sc= 0.497 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.379 18.803 -5.598 1.00 0.00 N ATOM 2 CA GLY A 1 -2.412 17.734 -5.780 1.00 0.00 C ATOM 3 C GLY A 1 -2.051 17.567 -7.257 1.00 0.00 C ATOM 4 O GLY A 1 -2.491 16.618 -7.905 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.607 18.896 -4.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.978 19.697 -5.946 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.245 18.582 -6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.512 17.951 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.820 16.800 -5.394 1.00 0.00 H new ATOM 8 N SER A 2 -1.252 18.504 -7.748 1.00 0.00 N ATOM 9 CA SER A 2 -0.827 18.473 -9.137 1.00 0.00 C ATOM 10 C SER A 2 0.365 19.410 -9.340 1.00 0.00 C ATOM 11 O SER A 2 0.337 20.560 -8.906 1.00 0.00 O ATOM 12 CB SER A 2 -1.973 18.861 -10.073 1.00 0.00 C ATOM 13 OG SER A 2 -1.628 18.680 -11.444 1.00 0.00 O ATOM 0 H SER A 2 -0.888 19.289 -7.208 1.00 0.00 H new ATOM 0 HA SER A 2 -0.526 17.454 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.852 18.261 -9.838 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.244 19.903 -9.902 1.00 0.00 H new ATOM 0 HG SER A 2 -2.386 18.937 -12.009 1.00 0.00 H new ATOM 19 N SER A 3 1.386 18.882 -10.001 1.00 0.00 N ATOM 20 CA SER A 3 2.586 19.657 -10.267 1.00 0.00 C ATOM 21 C SER A 3 3.292 19.997 -8.953 1.00 0.00 C ATOM 22 O SER A 3 2.890 20.923 -8.250 1.00 0.00 O ATOM 23 CB SER A 3 2.255 20.937 -11.038 1.00 0.00 C ATOM 24 OG SER A 3 2.381 20.759 -12.446 1.00 0.00 O ATOM 0 H SER A 3 1.406 17.927 -10.360 1.00 0.00 H new ATOM 0 HA SER A 3 3.252 19.054 -10.884 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.238 21.250 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.919 21.738 -10.713 1.00 0.00 H new ATOM 0 HG SER A 3 2.160 21.597 -12.903 1.00 0.00 H new ATOM 30 N GLY A 4 4.331 19.229 -8.661 1.00 0.00 N ATOM 31 CA GLY A 4 5.097 19.436 -7.444 1.00 0.00 C ATOM 32 C GLY A 4 4.861 18.300 -6.447 1.00 0.00 C ATOM 33 O GLY A 4 3.751 17.780 -6.344 1.00 0.00 O ATOM 0 H GLY A 4 4.661 18.462 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.158 19.499 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.816 20.387 -6.991 1.00 0.00 H new ATOM 37 N SER A 5 5.924 17.947 -5.739 1.00 0.00 N ATOM 38 CA SER A 5 5.846 16.881 -4.754 1.00 0.00 C ATOM 39 C SER A 5 6.632 17.270 -3.500 1.00 0.00 C ATOM 40 O SER A 5 7.839 17.495 -3.564 1.00 0.00 O ATOM 41 CB SER A 5 6.376 15.564 -5.325 1.00 0.00 C ATOM 42 OG SER A 5 5.472 14.987 -6.264 1.00 0.00 O ATOM 0 H SER A 5 6.843 18.380 -5.828 1.00 0.00 H new ATOM 0 HA SER A 5 4.799 16.736 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.337 15.739 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.551 14.860 -4.511 1.00 0.00 H new ATOM 0 HG SER A 5 5.847 14.149 -6.607 1.00 0.00 H new ATOM 48 N SER A 6 5.914 17.337 -2.388 1.00 0.00 N ATOM 49 CA SER A 6 6.528 17.695 -1.121 1.00 0.00 C ATOM 50 C SER A 6 6.806 16.434 -0.300 1.00 0.00 C ATOM 51 O SER A 6 7.946 16.177 0.082 1.00 0.00 O ATOM 52 CB SER A 6 5.640 18.658 -0.331 1.00 0.00 C ATOM 53 OG SER A 6 6.081 18.808 1.016 1.00 0.00 O ATOM 0 H SER A 6 4.913 17.149 -2.339 1.00 0.00 H new ATOM 0 HA SER A 6 7.471 18.201 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.635 19.631 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.613 18.292 -0.338 1.00 0.00 H new ATOM 0 HG SER A 6 5.489 19.432 1.486 1.00 0.00 H new ATOM 59 N GLY A 7 5.744 15.681 -0.053 1.00 0.00 N ATOM 60 CA GLY A 7 5.859 14.454 0.716 1.00 0.00 C ATOM 61 C GLY A 7 4.799 13.437 0.288 1.00 0.00 C ATOM 62 O GLY A 7 4.507 13.302 -0.899 1.00 0.00 O ATOM 0 H GLY A 7 4.800 15.897 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.853 14.028 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.749 14.674 1.778 1.00 0.00 H new ATOM 66 N LEU A 8 4.251 12.749 1.279 1.00 0.00 N ATOM 67 CA LEU A 8 3.229 11.749 1.020 1.00 0.00 C ATOM 68 C LEU A 8 1.849 12.405 1.094 1.00 0.00 C ATOM 69 O LEU A 8 1.727 13.556 1.510 1.00 0.00 O ATOM 70 CB LEU A 8 3.395 10.556 1.964 1.00 0.00 C ATOM 71 CG LEU A 8 3.542 9.188 1.296 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.974 8.970 0.802 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.082 8.068 2.232 1.00 0.00 C ATOM 0 H LEU A 8 4.495 12.864 2.263 1.00 0.00 H new ATOM 0 HA LEU A 8 3.337 11.346 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.272 10.730 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.533 10.522 2.630 1.00 0.00 H new ATOM 0 HG LEU A 8 2.892 9.164 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.051 7.990 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.230 9.742 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.662 9.022 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.197 7.106 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.687 8.080 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.034 8.219 2.492 1.00 0.00 H new ATOM 85 N ASP A 9 0.844 11.644 0.685 1.00 0.00 N ATOM 86 CA ASP A 9 -0.522 12.137 0.700 1.00 0.00 C ATOM 87 C ASP A 9 -1.447 11.047 1.248 1.00 0.00 C ATOM 88 O ASP A 9 -1.630 10.008 0.616 1.00 0.00 O ATOM 89 CB ASP A 9 -0.995 12.493 -0.710 1.00 0.00 C ATOM 90 CG ASP A 9 -1.538 13.914 -0.871 1.00 0.00 C ATOM 91 OD1 ASP A 9 -1.604 14.616 0.161 1.00 0.00 O ATOM 92 OD2 ASP A 9 -1.875 14.266 -2.022 1.00 0.00 O ATOM 0 H ASP A 9 0.949 10.689 0.341 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.552 13.029 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.163 12.358 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.772 11.788 -1.005 1.00 0.00 H new ATOM 97 N GLU A 10 -2.005 11.323 2.418 1.00 0.00 N ATOM 98 CA GLU A 10 -2.906 10.379 3.057 1.00 0.00 C ATOM 99 C GLU A 10 -4.242 10.332 2.312 1.00 0.00 C ATOM 100 O GLU A 10 -4.835 9.265 2.162 1.00 0.00 O ATOM 101 CB GLU A 10 -3.112 10.731 4.532 1.00 0.00 C ATOM 102 CG GLU A 10 -3.794 12.093 4.680 1.00 0.00 C ATOM 103 CD GLU A 10 -4.133 12.381 6.144 1.00 0.00 C ATOM 104 OE1 GLU A 10 -4.736 11.485 6.773 1.00 0.00 O ATOM 105 OE2 GLU A 10 -3.781 13.490 6.601 1.00 0.00 O ATOM 0 H GLU A 10 -1.851 12.186 2.939 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.454 9.388 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.718 9.963 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.150 10.744 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.140 12.875 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.705 12.115 4.081 1.00 0.00 H new ATOM 112 N SER A 11 -4.675 11.501 1.865 1.00 0.00 N ATOM 113 CA SER A 11 -5.929 11.607 1.140 1.00 0.00 C ATOM 114 C SER A 11 -5.987 10.548 0.037 1.00 0.00 C ATOM 115 O SER A 11 -7.055 10.018 -0.264 1.00 0.00 O ATOM 116 CB SER A 11 -6.104 13.005 0.543 1.00 0.00 C ATOM 117 OG SER A 11 -6.144 14.014 1.548 1.00 0.00 O ATOM 0 H SER A 11 -4.179 12.384 1.991 1.00 0.00 H new ATOM 0 HA SER A 11 -6.745 11.437 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.284 13.211 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.024 13.038 -0.040 1.00 0.00 H new ATOM 0 HG SER A 11 -6.255 14.892 1.126 1.00 0.00 H new ATOM 123 N VAL A 12 -4.824 10.270 -0.534 1.00 0.00 N ATOM 124 CA VAL A 12 -4.729 9.284 -1.597 1.00 0.00 C ATOM 125 C VAL A 12 -4.870 7.882 -1.000 1.00 0.00 C ATOM 126 O VAL A 12 -5.523 7.018 -1.582 1.00 0.00 O ATOM 127 CB VAL A 12 -3.424 9.475 -2.373 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.146 8.275 -3.281 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.449 10.777 -3.176 1.00 0.00 C ATOM 0 H VAL A 12 -3.940 10.710 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.540 9.415 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.611 9.544 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.213 8.436 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.064 7.372 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.963 8.161 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.510 10.888 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.276 10.751 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.579 11.620 -2.498 1.00 0.00 H new ATOM 139 N ILE A 13 -4.246 7.700 0.155 1.00 0.00 N ATOM 140 CA ILE A 13 -4.294 6.418 0.837 1.00 0.00 C ATOM 141 C ILE A 13 -5.739 6.109 1.232 1.00 0.00 C ATOM 142 O ILE A 13 -6.248 5.028 0.940 1.00 0.00 O ATOM 143 CB ILE A 13 -3.317 6.402 2.016 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.897 6.735 1.555 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.380 5.067 2.761 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.106 7.421 2.670 1.00 0.00 C ATOM 0 H ILE A 13 -3.705 8.419 0.635 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.968 5.619 0.171 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.617 7.178 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.386 5.822 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.938 7.384 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.677 5.081 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.389 4.910 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.119 4.257 2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.100 7.647 2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.607 8.346 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.047 6.759 3.534 1.00 0.00 H new ATOM 158 N ILE A 14 -6.359 7.078 1.890 1.00 0.00 N ATOM 159 CA ILE A 14 -7.736 6.922 2.328 1.00 0.00 C ATOM 160 C ILE A 14 -8.572 6.357 1.177 1.00 0.00 C ATOM 161 O ILE A 14 -9.237 5.335 1.332 1.00 0.00 O ATOM 162 CB ILE A 14 -8.273 8.241 2.888 1.00 0.00 C ATOM 163 CG1 ILE A 14 -7.806 8.455 4.329 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.796 8.311 2.762 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.605 9.402 4.381 1.00 0.00 C ATOM 0 H ILE A 14 -5.933 7.973 2.130 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.796 6.206 3.148 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.864 9.057 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.623 8.865 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.538 7.497 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.151 9.258 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.078 8.237 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.245 7.487 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.293 9.537 5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.782 8.978 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.884 10.367 3.957 1.00 0.00 H new ATOM 177 N GLN A 15 -8.510 7.048 0.048 1.00 0.00 N ATOM 178 CA GLN A 15 -9.253 6.628 -1.128 1.00 0.00 C ATOM 179 C GLN A 15 -9.004 5.146 -1.411 1.00 0.00 C ATOM 180 O GLN A 15 -9.934 4.341 -1.385 1.00 0.00 O ATOM 181 CB GLN A 15 -8.890 7.487 -2.341 1.00 0.00 C ATOM 182 CG GLN A 15 -9.109 8.972 -2.047 1.00 0.00 C ATOM 183 CD GLN A 15 -10.098 9.588 -3.038 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.305 9.463 -2.909 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.521 10.257 -4.033 1.00 0.00 N ATOM 0 H GLN A 15 -7.957 7.896 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.316 6.766 -0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.848 7.316 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.496 7.189 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.484 9.094 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.158 9.501 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.504 10.323 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.095 10.704 -4.748 1.00 0.00 H new ATOM 194 N LEU A 16 -7.745 4.829 -1.675 1.00 0.00 N ATOM 195 CA LEU A 16 -7.362 3.458 -1.963 1.00 0.00 C ATOM 196 C LEU A 16 -7.996 2.528 -0.927 1.00 0.00 C ATOM 197 O LEU A 16 -8.620 1.529 -1.282 1.00 0.00 O ATOM 198 CB LEU A 16 -5.840 3.333 -2.051 1.00 0.00 C ATOM 199 CG LEU A 16 -5.156 4.206 -3.106 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.676 4.408 -2.774 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.355 3.629 -4.508 1.00 0.00 C ATOM 0 H LEU A 16 -6.976 5.499 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.740 3.154 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.418 3.578 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.592 2.291 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.626 5.189 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.213 5.032 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.584 4.896 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.175 3.441 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.859 4.268 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.928 2.627 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.420 3.579 -4.733 1.00 0.00 H new ATOM 213 N VAL A 17 -7.815 2.889 0.335 1.00 0.00 N ATOM 214 CA VAL A 17 -8.361 2.100 1.426 1.00 0.00 C ATOM 215 C VAL A 17 -9.879 1.994 1.263 1.00 0.00 C ATOM 216 O VAL A 17 -10.460 0.936 1.499 1.00 0.00 O ATOM 217 CB VAL A 17 -7.945 2.703 2.769 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.757 2.099 3.916 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.444 2.527 3.007 1.00 0.00 C ATOM 0 H VAL A 17 -7.297 3.718 0.626 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.959 1.087 1.402 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.156 3.772 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.442 2.545 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.817 2.299 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.592 1.022 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.174 2.964 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.198 1.465 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.889 3.026 2.213 1.00 0.00 H new ATOM 229 N GLU A 18 -10.478 3.106 0.861 1.00 0.00 N ATOM 230 CA GLU A 18 -11.916 3.152 0.664 1.00 0.00 C ATOM 231 C GLU A 18 -12.351 2.072 -0.329 1.00 0.00 C ATOM 232 O GLU A 18 -13.388 1.437 -0.147 1.00 0.00 O ATOM 233 CB GLU A 18 -12.362 4.538 0.195 1.00 0.00 C ATOM 234 CG GLU A 18 -13.327 5.173 1.199 1.00 0.00 C ATOM 235 CD GLU A 18 -14.370 6.036 0.486 1.00 0.00 C ATOM 236 OE1 GLU A 18 -13.975 7.118 0.000 1.00 0.00 O ATOM 237 OE2 GLU A 18 -15.538 5.594 0.443 1.00 0.00 O ATOM 0 H GLU A 18 -9.993 3.982 0.667 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.400 2.955 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.491 5.180 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.845 4.458 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.826 4.392 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.769 5.783 1.909 1.00 0.00 H new ATOM 244 N MET A 19 -11.535 1.896 -1.359 1.00 0.00 N ATOM 245 CA MET A 19 -11.822 0.904 -2.381 1.00 0.00 C ATOM 246 C MET A 19 -11.827 -0.507 -1.789 1.00 0.00 C ATOM 247 O MET A 19 -12.428 -1.419 -2.354 1.00 0.00 O ATOM 248 CB MET A 19 -10.768 0.990 -3.486 1.00 0.00 C ATOM 249 CG MET A 19 -10.863 2.324 -4.231 1.00 0.00 C ATOM 250 SD MET A 19 -11.332 2.043 -5.930 1.00 0.00 S ATOM 251 CE MET A 19 -9.753 2.274 -6.730 1.00 0.00 C ATOM 0 H MET A 19 -10.675 2.424 -1.507 1.00 0.00 H new ATOM 0 HA MET A 19 -12.810 1.109 -2.793 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.773 0.880 -3.054 1.00 0.00 H new ATOM 0 HB3 MET A 19 -10.903 0.167 -4.188 1.00 0.00 H new ATOM 0 HG2 MET A 19 -11.595 2.970 -3.745 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.905 2.841 -4.191 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.866 2.133 -7.805 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.389 3.282 -6.532 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.039 1.548 -6.342 1.00 0.00 H new ATOM 261 N GLY A 20 -11.150 -0.642 -0.658 1.00 0.00 N ATOM 262 CA GLY A 20 -11.069 -1.926 0.017 1.00 0.00 C ATOM 263 C GLY A 20 -9.631 -2.448 0.031 1.00 0.00 C ATOM 264 O GLY A 20 -9.390 -3.622 -0.246 1.00 0.00 O ATOM 0 H GLY A 20 -10.653 0.117 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.434 -1.827 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.716 -2.646 -0.484 1.00 0.00 H new ATOM 268 N PHE A 21 -8.713 -1.550 0.357 1.00 0.00 N ATOM 269 CA PHE A 21 -7.305 -1.905 0.411 1.00 0.00 C ATOM 270 C PHE A 21 -6.714 -1.597 1.788 1.00 0.00 C ATOM 271 O PHE A 21 -7.213 -0.728 2.501 1.00 0.00 O ATOM 272 CB PHE A 21 -6.588 -1.055 -0.640 1.00 0.00 C ATOM 273 CG PHE A 21 -6.748 -1.570 -2.072 1.00 0.00 C ATOM 274 CD1 PHE A 21 -6.578 -2.892 -2.342 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.061 -0.706 -3.074 1.00 0.00 C ATOM 276 CE1 PHE A 21 -6.726 -3.370 -3.671 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.209 -1.184 -4.403 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.039 -2.506 -4.673 1.00 0.00 C ATOM 0 H PHE A 21 -8.917 -0.577 0.586 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.183 -2.972 0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.967 -0.034 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.526 -1.013 -0.396 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.330 -3.578 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.197 0.344 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.590 -4.420 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.457 -0.498 -5.199 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.153 -2.870 -5.684 1.00 0.00 H new ATOM 288 N PRO A 22 -5.632 -2.347 2.131 1.00 0.00 N ATOM 289 CA PRO A 22 -4.969 -2.162 3.410 1.00 0.00 C ATOM 290 C PRO A 22 -4.127 -0.884 3.412 1.00 0.00 C ATOM 291 O PRO A 22 -3.215 -0.736 2.600 1.00 0.00 O ATOM 292 CB PRO A 22 -4.139 -3.420 3.607 1.00 0.00 C ATOM 293 CG PRO A 22 -4.002 -4.050 2.231 1.00 0.00 C ATOM 294 CD PRO A 22 -5.015 -3.386 1.312 1.00 0.00 C ATOM 0 HA PRO A 22 -5.671 -2.030 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.162 -3.181 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.626 -4.104 4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.991 -3.913 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.180 -5.124 2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.533 -2.962 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.756 -4.102 0.956 1.00 0.00 H new ATOM 302 N MET A 23 -4.464 0.006 4.334 1.00 0.00 N ATOM 303 CA MET A 23 -3.751 1.266 4.452 1.00 0.00 C ATOM 304 C MET A 23 -2.244 1.062 4.282 1.00 0.00 C ATOM 305 O MET A 23 -1.642 1.600 3.354 1.00 0.00 O ATOM 306 CB MET A 23 -4.031 1.884 5.823 1.00 0.00 C ATOM 307 CG MET A 23 -4.142 3.407 5.726 1.00 0.00 C ATOM 308 SD MET A 23 -5.730 3.944 6.339 1.00 0.00 S ATOM 309 CE MET A 23 -5.805 5.576 5.620 1.00 0.00 C ATOM 0 H MET A 23 -5.221 -0.121 5.006 1.00 0.00 H new ATOM 0 HA MET A 23 -4.099 1.934 3.664 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.956 1.474 6.229 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.233 1.617 6.516 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.344 3.875 6.302 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.017 3.724 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.420 6.222 6.247 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.799 5.989 5.550 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.242 5.515 4.623 1.00 0.00 H new ATOM 319 N ASP A 24 -1.678 0.283 5.192 1.00 0.00 N ATOM 320 CA ASP A 24 -0.253 0.000 5.154 1.00 0.00 C ATOM 321 C ASP A 24 0.180 -0.219 3.703 1.00 0.00 C ATOM 322 O ASP A 24 1.094 0.446 3.218 1.00 0.00 O ATOM 323 CB ASP A 24 0.078 -1.267 5.944 1.00 0.00 C ATOM 324 CG ASP A 24 -0.599 -1.373 7.312 1.00 0.00 C ATOM 325 OD1 ASP A 24 -0.133 -0.665 8.231 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.566 -2.159 7.407 1.00 0.00 O ATOM 0 H ASP A 24 -2.181 -0.161 5.960 1.00 0.00 H new ATOM 0 HA ASP A 24 0.271 0.847 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.206 -2.134 5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.158 -1.317 6.085 1.00 0.00 H new ATOM 331 N ALA A 25 -0.496 -1.154 3.052 1.00 0.00 N ATOM 332 CA ALA A 25 -0.192 -1.469 1.667 1.00 0.00 C ATOM 333 C ALA A 25 -0.411 -0.224 0.805 1.00 0.00 C ATOM 334 O ALA A 25 0.371 0.053 -0.103 1.00 0.00 O ATOM 335 CB ALA A 25 -1.049 -2.652 1.212 1.00 0.00 C ATOM 0 H ALA A 25 -1.253 -1.704 3.458 1.00 0.00 H new ATOM 0 HA ALA A 25 0.852 -1.763 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.821 -2.888 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.834 -3.519 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.104 -2.393 1.302 1.00 0.00 H new ATOM 341 N CYS A 26 -1.480 0.493 1.119 1.00 0.00 N ATOM 342 CA CYS A 26 -1.812 1.702 0.385 1.00 0.00 C ATOM 343 C CYS A 26 -0.651 2.688 0.532 1.00 0.00 C ATOM 344 O CYS A 26 -0.271 3.353 -0.431 1.00 0.00 O ATOM 345 CB CYS A 26 -3.136 2.306 0.858 1.00 0.00 C ATOM 346 SG CYS A 26 -4.539 1.334 0.197 1.00 0.00 S ATOM 0 H CYS A 26 -2.127 0.260 1.872 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.953 1.463 -0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.172 2.317 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.212 3.342 0.526 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.113 0.686 1.167 1.00 0.00 H new ATOM 352 N ARG A 27 -0.120 2.752 1.744 1.00 0.00 N ATOM 353 CA ARG A 27 0.990 3.645 2.029 1.00 0.00 C ATOM 354 C ARG A 27 2.242 3.192 1.276 1.00 0.00 C ATOM 355 O ARG A 27 3.060 4.017 0.872 1.00 0.00 O ATOM 356 CB ARG A 27 1.291 3.688 3.528 1.00 0.00 C ATOM 357 CG ARG A 27 0.448 4.756 4.227 1.00 0.00 C ATOM 358 CD ARG A 27 0.115 4.341 5.661 1.00 0.00 C ATOM 359 NE ARG A 27 1.034 5.011 6.608 1.00 0.00 N ATOM 360 CZ ARG A 27 0.928 4.931 7.942 1.00 0.00 C ATOM 361 NH1 ARG A 27 -0.058 4.211 8.494 1.00 0.00 N ATOM 362 NH2 ARG A 27 1.808 5.573 8.723 1.00 0.00 N ATOM 0 H ARG A 27 -0.438 2.200 2.540 1.00 0.00 H new ATOM 0 HA ARG A 27 0.706 4.644 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.089 2.713 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.350 3.896 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.988 5.703 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.474 4.919 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.917 4.605 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.199 3.259 5.764 1.00 0.00 H new ATOM 0 HE ARG A 27 1.796 5.569 6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.728 3.724 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.138 4.150 9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.558 6.122 8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.728 5.513 9.738 1.00 0.00 H new ATOM 376 N LYS A 28 2.353 1.882 1.111 1.00 0.00 N ATOM 377 CA LYS A 28 3.492 1.309 0.414 1.00 0.00 C ATOM 378 C LYS A 28 3.535 1.852 -1.016 1.00 0.00 C ATOM 379 O LYS A 28 4.573 2.333 -1.470 1.00 0.00 O ATOM 380 CB LYS A 28 3.455 -0.218 0.492 1.00 0.00 C ATOM 381 CG LYS A 28 3.948 -0.711 1.854 1.00 0.00 C ATOM 382 CD LYS A 28 4.426 -2.162 1.773 1.00 0.00 C ATOM 383 CE LYS A 28 3.410 -3.033 1.032 1.00 0.00 C ATOM 384 NZ LYS A 28 3.961 -4.386 0.797 1.00 0.00 N ATOM 0 H LYS A 28 1.673 1.201 1.448 1.00 0.00 H new ATOM 0 HA LYS A 28 4.423 1.607 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.438 -0.570 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.076 -0.641 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.762 -0.075 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.145 -0.629 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.388 -2.204 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.582 -2.554 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.491 -3.104 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.150 -2.569 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.259 -4.964 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.826 -4.314 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.187 -4.832 1.709 1.00 0.00 H new ATOM 398 N ALA A 29 2.396 1.756 -1.685 1.00 0.00 N ATOM 399 CA ALA A 29 2.291 2.232 -3.054 1.00 0.00 C ATOM 400 C ALA A 29 2.744 3.692 -3.119 1.00 0.00 C ATOM 401 O ALA A 29 3.788 3.996 -3.694 1.00 0.00 O ATOM 402 CB ALA A 29 0.856 2.044 -3.551 1.00 0.00 C ATOM 0 H ALA A 29 1.538 1.356 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 29 2.942 1.656 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.777 2.401 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.593 0.987 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.174 2.610 -2.917 1.00 0.00 H new ATOM 408 N VAL A 30 1.936 4.556 -2.521 1.00 0.00 N ATOM 409 CA VAL A 30 2.241 5.976 -2.504 1.00 0.00 C ATOM 410 C VAL A 30 3.739 6.169 -2.262 1.00 0.00 C ATOM 411 O VAL A 30 4.425 6.802 -3.063 1.00 0.00 O ATOM 412 CB VAL A 30 1.371 6.685 -1.464 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.674 8.184 -1.426 1.00 0.00 C ATOM 414 CG2 VAL A 30 -0.115 6.433 -1.728 1.00 0.00 C ATOM 0 H VAL A 30 1.071 4.300 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 30 2.007 6.429 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 30 1.613 6.269 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.042 8.664 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.722 8.337 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.474 8.621 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.711 6.948 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.378 6.808 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.317 5.363 -1.681 1.00 0.00 H new ATOM 424 N TYR A 31 4.204 5.611 -1.153 1.00 0.00 N ATOM 425 CA TYR A 31 5.608 5.714 -0.795 1.00 0.00 C ATOM 426 C TYR A 31 6.504 5.366 -1.986 1.00 0.00 C ATOM 427 O TYR A 31 7.197 6.231 -2.520 1.00 0.00 O ATOM 428 CB TYR A 31 5.836 4.688 0.316 1.00 0.00 C ATOM 429 CG TYR A 31 7.297 4.555 0.751 1.00 0.00 C ATOM 430 CD1 TYR A 31 7.974 5.654 1.239 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.938 3.337 0.654 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.349 5.530 1.648 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.313 3.212 1.063 1.00 0.00 C ATOM 434 CZ TYR A 31 9.951 4.315 1.540 1.00 0.00 C ATOM 435 OH TYR A 31 11.250 4.197 1.926 1.00 0.00 O ATOM 0 H TYR A 31 3.633 5.086 -0.491 1.00 0.00 H new ATOM 0 HA TYR A 31 5.851 6.730 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.234 4.965 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.479 3.716 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.472 6.607 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.408 2.477 0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.890 6.382 2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.826 2.264 0.993 1.00 0.00 H new ATOM 0 HH TYR A 31 11.548 3.273 1.794 1.00 0.00 H new ATOM 445 N TYR A 32 6.461 4.098 -2.368 1.00 0.00 N ATOM 446 CA TYR A 32 7.260 3.625 -3.485 1.00 0.00 C ATOM 447 C TYR A 32 7.103 4.543 -4.699 1.00 0.00 C ATOM 448 O TYR A 32 8.069 4.804 -5.414 1.00 0.00 O ATOM 449 CB TYR A 32 6.717 2.239 -3.835 1.00 0.00 C ATOM 450 CG TYR A 32 7.137 1.140 -2.857 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.470 0.965 -2.548 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.182 0.324 -2.284 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.866 -0.069 -1.627 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.578 -0.710 -1.363 1.00 0.00 C ATOM 455 CZ TYR A 32 7.900 -0.856 -1.080 1.00 0.00 C ATOM 456 OH TYR A 32 8.274 -1.832 -0.211 1.00 0.00 O ATOM 0 H TYR A 32 5.885 3.383 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 32 8.317 3.605 -3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.628 2.285 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.056 1.970 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.217 1.603 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.138 0.461 -2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.906 -0.216 -1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.841 -1.355 -0.907 1.00 0.00 H new ATOM 0 HH TYR A 32 7.480 -2.314 0.101 1.00 0.00 H new ATOM 466 N THR A 33 5.878 5.008 -4.894 1.00 0.00 N ATOM 467 CA THR A 33 5.581 5.891 -6.009 1.00 0.00 C ATOM 468 C THR A 33 5.776 7.352 -5.598 1.00 0.00 C ATOM 469 O THR A 33 5.221 8.255 -6.223 1.00 0.00 O ATOM 470 CB THR A 33 4.165 5.580 -6.496 1.00 0.00 C ATOM 471 OG1 THR A 33 3.323 6.109 -5.474 1.00 0.00 O ATOM 472 CG2 THR A 33 3.860 4.081 -6.490 1.00 0.00 C ATOM 0 H THR A 33 5.079 4.790 -4.298 1.00 0.00 H new ATOM 0 HA THR A 33 6.268 5.725 -6.839 1.00 0.00 H new ATOM 0 HB THR A 33 4.033 5.973 -7.504 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.870 6.380 -4.707 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.843 3.915 -6.844 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.561 3.564 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.959 3.694 -5.476 1.00 0.00 H new ATOM 480 N GLY A 34 6.564 7.539 -4.550 1.00 0.00 N ATOM 481 CA GLY A 34 6.839 8.875 -4.048 1.00 0.00 C ATOM 482 C GLY A 34 5.597 9.763 -4.147 1.00 0.00 C ATOM 483 O GLY A 34 5.700 10.948 -4.460 1.00 0.00 O ATOM 0 H GLY A 34 7.021 6.787 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.168 8.817 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.655 9.320 -4.617 1.00 0.00 H new ATOM 487 N ASN A 35 4.451 9.156 -3.875 1.00 0.00 N ATOM 488 CA ASN A 35 3.191 9.878 -3.929 1.00 0.00 C ATOM 489 C ASN A 35 3.131 10.695 -5.221 1.00 0.00 C ATOM 490 O ASN A 35 3.528 11.859 -5.242 1.00 0.00 O ATOM 491 CB ASN A 35 3.058 10.845 -2.751 1.00 0.00 C ATOM 492 CG ASN A 35 1.882 11.801 -2.957 1.00 0.00 C ATOM 493 OD1 ASN A 35 0.988 11.565 -3.753 1.00 0.00 O ATOM 494 ND2 ASN A 35 1.931 12.891 -2.196 1.00 0.00 N ATOM 0 H ASN A 35 4.369 8.173 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 35 2.383 9.148 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.917 10.282 -1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.980 11.416 -2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.191 13.590 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.708 13.027 -1.550 1.00 0.00 H new ATOM 501 N SER A 36 2.633 10.053 -6.268 1.00 0.00 N ATOM 502 CA SER A 36 2.516 10.706 -7.560 1.00 0.00 C ATOM 503 C SER A 36 1.099 10.530 -8.110 1.00 0.00 C ATOM 504 O SER A 36 0.917 10.028 -9.218 1.00 0.00 O ATOM 505 CB SER A 36 3.542 10.153 -8.551 1.00 0.00 C ATOM 506 OG SER A 36 4.845 10.682 -8.323 1.00 0.00 O ATOM 0 H SER A 36 2.306 9.087 -6.247 1.00 0.00 H new ATOM 0 HA SER A 36 2.717 11.769 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.573 9.066 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.228 10.389 -9.568 1.00 0.00 H new ATOM 0 HG SER A 36 5.327 10.105 -7.694 1.00 0.00 H new ATOM 512 N GLY A 37 0.132 10.953 -7.309 1.00 0.00 N ATOM 513 CA GLY A 37 -1.264 10.849 -7.702 1.00 0.00 C ATOM 514 C GLY A 37 -1.843 9.488 -7.309 1.00 0.00 C ATOM 515 O GLY A 37 -1.102 8.572 -6.956 1.00 0.00 O ATOM 0 H GLY A 37 0.287 11.368 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.839 11.644 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.354 10.989 -8.779 1.00 0.00 H new ATOM 519 N ALA A 38 -3.163 9.399 -7.383 1.00 0.00 N ATOM 520 CA ALA A 38 -3.850 8.166 -7.040 1.00 0.00 C ATOM 521 C ALA A 38 -3.672 7.155 -8.174 1.00 0.00 C ATOM 522 O ALA A 38 -3.168 6.055 -7.956 1.00 0.00 O ATOM 523 CB ALA A 38 -5.323 8.466 -6.752 1.00 0.00 C ATOM 0 H ALA A 38 -3.775 10.161 -7.676 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.424 7.727 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.839 7.541 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.396 9.166 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.785 8.905 -7.637 1.00 0.00 H new ATOM 529 N GLU A 39 -4.096 7.564 -9.361 1.00 0.00 N ATOM 530 CA GLU A 39 -3.990 6.708 -10.530 1.00 0.00 C ATOM 531 C GLU A 39 -2.624 6.019 -10.560 1.00 0.00 C ATOM 532 O GLU A 39 -2.545 4.791 -10.578 1.00 0.00 O ATOM 533 CB GLU A 39 -4.232 7.502 -11.815 1.00 0.00 C ATOM 534 CG GLU A 39 -4.570 6.569 -12.980 1.00 0.00 C ATOM 535 CD GLU A 39 -4.130 7.177 -14.314 1.00 0.00 C ATOM 536 OE1 GLU A 39 -4.174 8.422 -14.412 1.00 0.00 O ATOM 537 OE2 GLU A 39 -3.760 6.382 -15.204 1.00 0.00 O ATOM 0 H GLU A 39 -4.514 8.477 -9.538 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.761 5.941 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.048 8.209 -11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.345 8.087 -12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.078 5.607 -12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.643 6.379 -12.999 1.00 0.00 H new ATOM 544 N ALA A 40 -1.583 6.838 -10.564 1.00 0.00 N ATOM 545 CA ALA A 40 -0.225 6.323 -10.592 1.00 0.00 C ATOM 546 C ALA A 40 -0.054 5.287 -9.479 1.00 0.00 C ATOM 547 O ALA A 40 0.171 4.109 -9.751 1.00 0.00 O ATOM 548 CB ALA A 40 0.764 7.483 -10.466 1.00 0.00 C ATOM 0 H ALA A 40 -1.653 7.855 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.023 5.825 -11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.783 7.096 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.621 8.175 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.594 8.006 -9.525 1.00 0.00 H new ATOM 554 N ALA A 41 -0.168 5.764 -8.248 1.00 0.00 N ATOM 555 CA ALA A 41 -0.029 4.895 -7.092 1.00 0.00 C ATOM 556 C ALA A 41 -0.819 3.606 -7.331 1.00 0.00 C ATOM 557 O ALA A 41 -0.263 2.511 -7.261 1.00 0.00 O ATOM 558 CB ALA A 41 -0.489 5.637 -5.836 1.00 0.00 C ATOM 0 H ALA A 41 -0.355 6.742 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 41 1.015 4.619 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.384 4.985 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.123 6.528 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.534 5.928 -5.947 1.00 0.00 H new ATOM 564 N MET A 42 -2.103 3.780 -7.608 1.00 0.00 N ATOM 565 CA MET A 42 -2.975 2.645 -7.857 1.00 0.00 C ATOM 566 C MET A 42 -2.252 1.565 -8.665 1.00 0.00 C ATOM 567 O MET A 42 -2.173 0.414 -8.239 1.00 0.00 O ATOM 568 CB MET A 42 -4.214 3.111 -8.623 1.00 0.00 C ATOM 569 CG MET A 42 -5.487 2.863 -7.811 1.00 0.00 C ATOM 570 SD MET A 42 -6.926 3.173 -8.820 1.00 0.00 S ATOM 571 CE MET A 42 -7.223 4.887 -8.417 1.00 0.00 C ATOM 0 H MET A 42 -2.560 4.690 -7.665 1.00 0.00 H new ATOM 0 HA MET A 42 -3.269 2.219 -6.897 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.126 4.173 -8.852 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.277 2.584 -9.575 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.502 1.835 -7.448 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.501 3.511 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.095 5.244 -8.966 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.404 4.983 -7.346 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.352 5.482 -8.693 1.00 0.00 H new ATOM 581 N ASN A 43 -1.742 1.975 -9.817 1.00 0.00 N ATOM 582 CA ASN A 43 -1.028 1.058 -10.689 1.00 0.00 C ATOM 583 C ASN A 43 -0.111 0.169 -9.845 1.00 0.00 C ATOM 584 O ASN A 43 -0.174 -1.056 -9.935 1.00 0.00 O ATOM 585 CB ASN A 43 -0.158 1.816 -11.693 1.00 0.00 C ATOM 586 CG ASN A 43 -0.421 1.333 -13.121 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.805 0.199 -13.359 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.193 2.252 -14.054 1.00 0.00 N ATOM 0 H ASN A 43 -1.809 2.931 -10.167 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.765 0.463 -11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.363 2.884 -11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.894 1.676 -11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.339 2.027 -15.038 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.127 3.182 -13.786 1.00 0.00 H new ATOM 595 N TRP A 44 0.720 0.822 -9.045 1.00 0.00 N ATOM 596 CA TRP A 44 1.648 0.106 -8.187 1.00 0.00 C ATOM 597 C TRP A 44 0.855 -0.940 -7.401 1.00 0.00 C ATOM 598 O TRP A 44 1.288 -2.084 -7.273 1.00 0.00 O ATOM 599 CB TRP A 44 2.418 1.074 -7.286 1.00 0.00 C ATOM 600 CG TRP A 44 3.428 0.392 -6.360 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.763 0.358 -6.479 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.129 -0.357 -5.163 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.344 -0.355 -5.449 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.319 -0.803 -4.624 1.00 0.00 C ATOM 605 CE3 TRP A 44 1.895 -0.647 -4.556 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.391 -1.566 -3.453 1.00 0.00 C ATOM 607 CZ3 TRP A 44 1.984 -1.410 -3.386 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.173 -1.868 -2.831 1.00 0.00 C ATOM 0 H TRP A 44 0.770 1.838 -8.973 1.00 0.00 H new ATOM 0 HA TRP A 44 2.406 -0.406 -8.780 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.943 1.796 -7.911 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.706 1.635 -6.680 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.314 0.829 -7.279 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.342 -0.522 -5.318 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.953 -0.308 -4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.335 -1.904 -3.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.064 -1.660 -2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.158 -2.454 -1.924 1.00 0.00 H new ATOM 619 N VAL A 45 -0.291 -0.510 -6.895 1.00 0.00 N ATOM 620 CA VAL A 45 -1.148 -1.396 -6.125 1.00 0.00 C ATOM 621 C VAL A 45 -1.649 -2.525 -7.028 1.00 0.00 C ATOM 622 O VAL A 45 -1.577 -3.697 -6.660 1.00 0.00 O ATOM 623 CB VAL A 45 -2.284 -0.596 -5.482 1.00 0.00 C ATOM 624 CG1 VAL A 45 -3.138 -1.488 -4.579 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.738 0.606 -4.709 1.00 0.00 C ATOM 0 H VAL A 45 -0.646 0.440 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.589 -1.855 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.923 -0.218 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.938 -0.896 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.570 -2.296 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.516 -1.908 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.565 1.157 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.067 0.259 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.192 1.259 -5.390 1.00 0.00 H new ATOM 635 N MET A 46 -2.145 -2.133 -8.192 1.00 0.00 N ATOM 636 CA MET A 46 -2.658 -3.098 -9.150 1.00 0.00 C ATOM 637 C MET A 46 -1.578 -4.110 -9.540 1.00 0.00 C ATOM 638 O MET A 46 -1.889 -5.219 -9.972 1.00 0.00 O ATOM 639 CB MET A 46 -3.147 -2.366 -10.401 1.00 0.00 C ATOM 640 CG MET A 46 -4.194 -1.309 -10.043 1.00 0.00 C ATOM 641 SD MET A 46 -5.496 -2.045 -9.069 1.00 0.00 S ATOM 642 CE MET A 46 -5.621 -0.840 -7.758 1.00 0.00 C ATOM 0 H MET A 46 -2.203 -1.160 -8.494 1.00 0.00 H new ATOM 0 HA MET A 46 -3.485 -3.637 -8.687 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.303 -1.892 -10.903 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.574 -3.083 -11.103 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.727 -0.497 -9.486 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.610 -0.875 -10.952 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.645 -1.351 -6.795 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.760 -0.173 -7.794 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.535 -0.260 -7.883 1.00 0.00 H new ATOM 652 N SER A 47 -0.332 -3.691 -9.374 1.00 0.00 N ATOM 653 CA SER A 47 0.795 -4.547 -9.704 1.00 0.00 C ATOM 654 C SER A 47 1.226 -5.342 -8.470 1.00 0.00 C ATOM 655 O SER A 47 1.855 -6.392 -8.593 1.00 0.00 O ATOM 656 CB SER A 47 1.969 -3.728 -10.244 1.00 0.00 C ATOM 657 OG SER A 47 2.103 -3.855 -11.657 1.00 0.00 O ATOM 0 H SER A 47 -0.078 -2.770 -9.015 1.00 0.00 H new ATOM 0 HA SER A 47 0.481 -5.240 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.828 -2.678 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.891 -4.054 -9.762 1.00 0.00 H new ATOM 0 HG SER A 47 2.862 -3.316 -11.963 1.00 0.00 H new ATOM 663 N HIS A 48 0.870 -4.812 -7.309 1.00 0.00 N ATOM 664 CA HIS A 48 1.213 -5.460 -6.054 1.00 0.00 C ATOM 665 C HIS A 48 0.073 -6.387 -5.627 1.00 0.00 C ATOM 666 O HIS A 48 0.255 -7.600 -5.538 1.00 0.00 O ATOM 667 CB HIS A 48 1.565 -4.422 -4.986 1.00 0.00 C ATOM 668 CG HIS A 48 3.040 -4.112 -4.894 1.00 0.00 C ATOM 669 ND1 HIS A 48 3.832 -4.539 -3.843 1.00 0.00 N ATOM 670 CD2 HIS A 48 3.857 -3.413 -5.733 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.069 -4.110 -4.050 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.082 -3.412 -5.222 1.00 0.00 N ATOM 0 H HIS A 48 0.348 -3.941 -7.211 1.00 0.00 H new ATOM 0 HA HIS A 48 2.103 -6.074 -6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.023 -3.500 -5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.218 -4.781 -4.017 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.558 -2.940 -6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.917 -4.283 -3.404 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.899 -2.963 -5.637 1.00 0.00 H new ATOM 680 N MET A 49 -1.078 -5.780 -5.375 1.00 0.00 N ATOM 681 CA MET A 49 -2.247 -6.536 -4.960 1.00 0.00 C ATOM 682 C MET A 49 -2.347 -7.856 -5.726 1.00 0.00 C ATOM 683 O MET A 49 -2.885 -8.837 -5.214 1.00 0.00 O ATOM 684 CB MET A 49 -3.507 -5.705 -5.209 1.00 0.00 C ATOM 685 CG MET A 49 -3.619 -5.306 -6.682 1.00 0.00 C ATOM 686 SD MET A 49 -4.985 -6.164 -7.445 1.00 0.00 S ATOM 687 CE MET A 49 -4.190 -6.753 -8.931 1.00 0.00 C ATOM 0 H MET A 49 -1.225 -4.774 -5.450 1.00 0.00 H new ATOM 0 HA MET A 49 -2.153 -6.760 -3.898 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.388 -6.276 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.486 -4.810 -4.587 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.763 -4.229 -6.765 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.692 -5.545 -7.203 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.541 -7.760 -9.157 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.433 -6.089 -9.761 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.110 -6.770 -8.784 1.00 0.00 H new ATOM 697 N ASP A 50 -1.819 -7.840 -6.942 1.00 0.00 N ATOM 698 CA ASP A 50 -1.842 -9.024 -7.784 1.00 0.00 C ATOM 699 C ASP A 50 -1.440 -10.244 -6.952 1.00 0.00 C ATOM 700 O ASP A 50 -1.965 -11.337 -7.154 1.00 0.00 O ATOM 701 CB ASP A 50 -0.852 -8.895 -8.943 1.00 0.00 C ATOM 702 CG ASP A 50 -1.445 -9.145 -10.331 1.00 0.00 C ATOM 703 OD1 ASP A 50 -2.268 -8.306 -10.756 1.00 0.00 O ATOM 704 OD2 ASP A 50 -1.062 -10.170 -10.935 1.00 0.00 O ATOM 0 H ASP A 50 -1.373 -7.025 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.851 -9.135 -8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.421 -7.894 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.034 -9.597 -8.782 1.00 0.00 H new ATOM 709 N ASP A 51 -0.512 -10.014 -6.035 1.00 0.00 N ATOM 710 CA ASP A 51 -0.033 -11.081 -5.172 1.00 0.00 C ATOM 711 C ASP A 51 -0.692 -10.953 -3.797 1.00 0.00 C ATOM 712 O ASP A 51 -1.066 -9.856 -3.383 1.00 0.00 O ATOM 713 CB ASP A 51 1.482 -10.996 -4.979 1.00 0.00 C ATOM 714 CG ASP A 51 2.091 -9.617 -5.243 1.00 0.00 C ATOM 715 OD1 ASP A 51 2.268 -9.294 -6.438 1.00 0.00 O ATOM 716 OD2 ASP A 51 2.366 -8.917 -4.245 1.00 0.00 O ATOM 0 H ASP A 51 -0.079 -9.105 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.284 -12.032 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.720 -11.292 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.959 -11.720 -5.640 1.00 0.00 H new ATOM 721 N PRO A 52 -0.818 -12.119 -3.109 1.00 0.00 N ATOM 722 CA PRO A 52 -1.425 -12.148 -1.789 1.00 0.00 C ATOM 723 C PRO A 52 -0.469 -11.588 -0.733 1.00 0.00 C ATOM 724 O PRO A 52 -0.811 -11.525 0.447 1.00 0.00 O ATOM 725 CB PRO A 52 -1.783 -13.606 -1.552 1.00 0.00 C ATOM 726 CG PRO A 52 -0.949 -14.406 -2.540 1.00 0.00 C ATOM 727 CD PRO A 52 -0.387 -13.437 -3.567 1.00 0.00 C ATOM 0 HA PRO A 52 -2.312 -11.518 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.562 -13.901 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.848 -13.778 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.142 -14.927 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.559 -15.167 -3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.700 -13.502 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.768 -13.653 -4.565 1.00 0.00 H new ATOM 735 N ASP A 53 0.709 -11.197 -1.196 1.00 0.00 N ATOM 736 CA ASP A 53 1.716 -10.645 -0.306 1.00 0.00 C ATOM 737 C ASP A 53 1.707 -9.119 -0.418 1.00 0.00 C ATOM 738 O ASP A 53 2.730 -8.471 -0.199 1.00 0.00 O ATOM 739 CB ASP A 53 3.115 -11.138 -0.684 1.00 0.00 C ATOM 740 CG ASP A 53 3.323 -11.413 -2.174 1.00 0.00 C ATOM 741 OD1 ASP A 53 3.659 -10.443 -2.889 1.00 0.00 O ATOM 742 OD2 ASP A 53 3.141 -12.586 -2.566 1.00 0.00 O ATOM 0 H ASP A 53 0.989 -11.251 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 53 1.482 -10.966 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.845 -10.395 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.324 -12.052 -0.129 1.00 0.00 H new ATOM 747 N PHE A 54 0.542 -8.589 -0.758 1.00 0.00 N ATOM 748 CA PHE A 54 0.386 -7.151 -0.901 1.00 0.00 C ATOM 749 C PHE A 54 -0.099 -6.520 0.405 1.00 0.00 C ATOM 750 O PHE A 54 0.326 -5.423 0.764 1.00 0.00 O ATOM 751 CB PHE A 54 -0.667 -6.921 -1.987 1.00 0.00 C ATOM 752 CG PHE A 54 -1.355 -5.557 -1.907 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.625 -4.418 -2.036 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.699 -5.485 -1.707 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.264 -3.152 -1.961 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.338 -4.219 -1.633 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.607 -3.079 -1.762 1.00 0.00 C ATOM 0 H PHE A 54 -0.304 -9.130 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 54 1.343 -6.697 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.194 -7.021 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.423 -7.703 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.442 -4.476 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.279 -6.390 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.683 -2.247 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.405 -4.161 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.093 -2.116 -1.706 1.00 0.00 H new ATOM 767 N ALA A 55 -0.983 -7.239 1.080 1.00 0.00 N ATOM 768 CA ALA A 55 -1.531 -6.763 2.339 1.00 0.00 C ATOM 769 C ALA A 55 -0.428 -6.756 3.400 1.00 0.00 C ATOM 770 O ALA A 55 -0.570 -6.120 4.443 1.00 0.00 O ATOM 771 CB ALA A 55 -2.721 -7.636 2.741 1.00 0.00 C ATOM 0 H ALA A 55 -1.334 -8.148 0.779 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.897 -5.741 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.132 -7.279 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.488 -7.583 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.392 -8.669 2.856 1.00 0.00 H new ATOM 777 N ASN A 56 0.645 -7.470 3.096 1.00 0.00 N ATOM 778 CA ASN A 56 1.771 -7.554 4.011 1.00 0.00 C ATOM 779 C ASN A 56 2.207 -6.142 4.407 1.00 0.00 C ATOM 780 O ASN A 56 1.937 -5.180 3.689 1.00 0.00 O ATOM 781 CB ASN A 56 2.965 -8.250 3.353 1.00 0.00 C ATOM 782 CG ASN A 56 2.540 -9.567 2.700 1.00 0.00 C ATOM 783 OD1 ASN A 56 1.386 -9.961 2.732 1.00 0.00 O ATOM 784 ND2 ASN A 56 3.534 -10.222 2.108 1.00 0.00 N ATOM 0 H ASN A 56 0.759 -7.996 2.229 1.00 0.00 H new ATOM 0 HA ASN A 56 1.455 -8.127 4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.405 -7.593 2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.735 -8.442 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.353 -11.112 1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.478 -9.835 2.119 1.00 0.00 H new ATOM 791 N PRO A 57 2.892 -6.059 5.579 1.00 0.00 N ATOM 792 CA PRO A 57 3.368 -4.781 6.079 1.00 0.00 C ATOM 793 C PRO A 57 4.590 -4.304 5.292 1.00 0.00 C ATOM 794 O PRO A 57 5.129 -5.042 4.469 1.00 0.00 O ATOM 795 CB PRO A 57 3.665 -5.020 7.551 1.00 0.00 C ATOM 796 CG PRO A 57 3.789 -6.527 7.711 1.00 0.00 C ATOM 797 CD PRO A 57 3.230 -7.176 6.456 1.00 0.00 C ATOM 0 HA PRO A 57 2.635 -3.983 5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.585 -4.518 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.867 -4.625 8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.831 -6.811 7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.242 -6.864 8.591 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.963 -7.836 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.352 -7.782 6.681 1.00 0.00 H new ATOM 805 N LEU A 58 4.991 -3.073 5.572 1.00 0.00 N ATOM 806 CA LEU A 58 6.140 -2.489 4.900 1.00 0.00 C ATOM 807 C LEU A 58 7.414 -2.859 5.663 1.00 0.00 C ATOM 808 O LEU A 58 7.557 -2.524 6.838 1.00 0.00 O ATOM 809 CB LEU A 58 5.946 -0.982 4.720 1.00 0.00 C ATOM 810 CG LEU A 58 7.166 -0.204 4.222 1.00 0.00 C ATOM 811 CD1 LEU A 58 7.352 -0.383 2.714 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.075 1.271 4.617 1.00 0.00 C ATOM 0 H LEU A 58 4.541 -2.464 6.255 1.00 0.00 H new ATOM 0 HA LEU A 58 6.241 -2.896 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.127 -0.822 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.635 -0.559 5.675 1.00 0.00 H new ATOM 0 HG LEU A 58 8.053 -0.613 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.226 0.180 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.495 -1.440 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.468 -0.017 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.954 1.801 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.178 1.710 4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.027 1.355 5.703 1.00 0.00 H new ATOM 824 N ILE A 59 8.306 -3.545 4.964 1.00 0.00 N ATOM 825 CA ILE A 59 9.563 -3.963 5.561 1.00 0.00 C ATOM 826 C ILE A 59 10.124 -2.822 6.412 1.00 0.00 C ATOM 827 O ILE A 59 10.604 -1.823 5.879 1.00 0.00 O ATOM 828 CB ILE A 59 10.529 -4.458 4.482 1.00 0.00 C ATOM 829 CG1 ILE A 59 9.911 -5.600 3.674 1.00 0.00 C ATOM 830 CG2 ILE A 59 11.876 -4.851 5.092 1.00 0.00 C ATOM 831 CD1 ILE A 59 9.629 -5.164 2.235 1.00 0.00 C ATOM 0 H ILE A 59 8.183 -3.822 3.990 1.00 0.00 H new ATOM 0 HA ILE A 59 9.405 -4.810 6.229 1.00 0.00 H new ATOM 0 HB ILE A 59 10.716 -3.638 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.586 -6.456 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.985 -5.925 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.544 -5.199 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.318 -3.986 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.727 -5.648 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.190 -5.995 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.935 -4.324 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.561 -4.863 1.757 1.00 0.00 H new ATOM 843 N LEU A 60 10.044 -3.009 7.721 1.00 0.00 N ATOM 844 CA LEU A 60 10.537 -2.008 8.652 1.00 0.00 C ATOM 845 C LEU A 60 12.020 -1.749 8.377 1.00 0.00 C ATOM 846 O LEU A 60 12.704 -2.593 7.801 1.00 0.00 O ATOM 847 CB LEU A 60 10.243 -2.426 10.094 1.00 0.00 C ATOM 848 CG LEU A 60 8.765 -2.487 10.486 1.00 0.00 C ATOM 849 CD1 LEU A 60 8.519 -3.583 11.525 1.00 0.00 C ATOM 850 CD2 LEU A 60 8.267 -1.122 10.964 1.00 0.00 C ATOM 0 H LEU A 60 9.645 -3.839 8.159 1.00 0.00 H new ATOM 0 HA LEU A 60 10.015 -1.062 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.684 -3.408 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.748 -1.729 10.763 1.00 0.00 H new ATOM 0 HG LEU A 60 8.187 -2.747 9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.461 -3.605 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.811 -4.548 11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.109 -3.377 12.418 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.214 -1.194 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.846 -0.807 11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.386 -0.391 10.164 1.00 0.00 H new ATOM 862 N PRO A 61 12.484 -0.548 8.813 1.00 0.00 N ATOM 863 CA PRO A 61 13.873 -0.167 8.620 1.00 0.00 C ATOM 864 C PRO A 61 14.786 -0.913 9.595 1.00 0.00 C ATOM 865 O PRO A 61 14.367 -1.268 10.695 1.00 0.00 O ATOM 866 CB PRO A 61 13.898 1.340 8.816 1.00 0.00 C ATOM 867 CG PRO A 61 12.622 1.685 9.565 1.00 0.00 C ATOM 868 CD PRO A 61 11.701 0.477 9.499 1.00 0.00 C ATOM 0 HA PRO A 61 14.249 -0.433 7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.778 1.645 9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.940 1.858 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.845 1.939 10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.142 2.556 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.406 0.149 10.496 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.785 0.706 8.954 1.00 0.00 H new ATOM 876 N GLY A 62 16.018 -1.127 9.155 1.00 0.00 N ATOM 877 CA GLY A 62 16.994 -1.824 9.976 1.00 0.00 C ATOM 878 C GLY A 62 17.230 -3.244 9.459 1.00 0.00 C ATOM 879 O GLY A 62 16.681 -4.204 9.998 1.00 0.00 O ATOM 0 H GLY A 62 16.362 -0.830 8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.934 -1.272 9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.646 -1.862 11.008 1.00 0.00 H new ATOM 883 N SER A 63 18.048 -3.334 8.421 1.00 0.00 N ATOM 884 CA SER A 63 18.364 -4.621 7.825 1.00 0.00 C ATOM 885 C SER A 63 17.089 -5.278 7.293 1.00 0.00 C ATOM 886 O SER A 63 15.992 -4.988 7.768 1.00 0.00 O ATOM 887 CB SER A 63 19.054 -5.541 8.835 1.00 0.00 C ATOM 888 OG SER A 63 19.566 -6.719 8.220 1.00 0.00 O ATOM 0 H SER A 63 18.502 -2.536 7.977 1.00 0.00 H new ATOM 0 HA SER A 63 19.052 -4.455 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.868 -5.002 9.320 1.00 0.00 H new ATOM 0 HB3 SER A 63 18.346 -5.818 9.616 1.00 0.00 H new ATOM 0 HG SER A 63 20.000 -7.279 8.897 1.00 0.00 H new ATOM 894 N SER A 64 17.275 -6.152 6.315 1.00 0.00 N ATOM 895 CA SER A 64 16.154 -6.853 5.714 1.00 0.00 C ATOM 896 C SER A 64 15.463 -7.731 6.760 1.00 0.00 C ATOM 897 O SER A 64 16.028 -8.727 7.209 1.00 0.00 O ATOM 898 CB SER A 64 16.608 -7.702 4.525 1.00 0.00 C ATOM 899 OG SER A 64 17.598 -8.656 4.897 1.00 0.00 O ATOM 0 H SER A 64 18.186 -6.391 5.924 1.00 0.00 H new ATOM 0 HA SER A 64 15.445 -6.111 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.748 -8.219 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.006 -7.052 3.746 1.00 0.00 H new ATOM 0 HG SER A 64 17.479 -8.901 5.838 1.00 0.00 H new ATOM 905 N GLY A 65 14.253 -7.329 7.117 1.00 0.00 N ATOM 906 CA GLY A 65 13.480 -8.067 8.102 1.00 0.00 C ATOM 907 C GLY A 65 12.583 -9.107 7.428 1.00 0.00 C ATOM 908 O GLY A 65 11.636 -8.755 6.727 1.00 0.00 O ATOM 0 H GLY A 65 13.788 -6.502 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.154 -8.561 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.869 -7.376 8.682 1.00 0.00 H new ATOM 912 N PRO A 66 12.922 -10.402 7.670 1.00 0.00 N ATOM 913 CA PRO A 66 12.158 -11.496 7.095 1.00 0.00 C ATOM 914 C PRO A 66 10.823 -11.673 7.820 1.00 0.00 C ATOM 915 O PRO A 66 10.742 -11.489 9.034 1.00 0.00 O ATOM 916 CB PRO A 66 13.064 -12.711 7.211 1.00 0.00 C ATOM 917 CG PRO A 66 14.105 -12.357 8.260 1.00 0.00 C ATOM 918 CD PRO A 66 14.037 -10.856 8.496 1.00 0.00 C ATOM 0 HA PRO A 66 11.884 -11.318 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.497 -13.594 7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.535 -12.939 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.913 -12.898 9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.100 -12.646 7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.869 -10.628 9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.968 -10.367 8.208 1.00 0.00 H new ATOM 926 N GLY A 67 9.808 -12.029 7.046 1.00 0.00 N ATOM 927 CA GLY A 67 8.481 -12.234 7.599 1.00 0.00 C ATOM 928 C GLY A 67 7.400 -11.910 6.566 1.00 0.00 C ATOM 929 O GLY A 67 6.816 -10.828 6.591 1.00 0.00 O ATOM 0 H GLY A 67 9.879 -12.181 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.376 -13.268 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.349 -11.604 8.479 1.00 0.00 H new ATOM 933 N SER A 68 7.166 -12.869 5.681 1.00 0.00 N ATOM 934 CA SER A 68 6.166 -12.699 4.641 1.00 0.00 C ATOM 935 C SER A 68 4.959 -13.595 4.925 1.00 0.00 C ATOM 936 O SER A 68 3.837 -13.108 5.060 1.00 0.00 O ATOM 937 CB SER A 68 6.748 -13.013 3.261 1.00 0.00 C ATOM 938 OG SER A 68 5.854 -12.654 2.211 1.00 0.00 O ATOM 0 H SER A 68 7.652 -13.766 5.663 1.00 0.00 H new ATOM 0 HA SER A 68 5.845 -11.657 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.689 -12.479 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.974 -14.077 3.197 1.00 0.00 H new ATOM 0 HG SER A 68 6.262 -12.868 1.346 1.00 0.00 H new ATOM 944 N SER A 69 5.229 -14.890 5.007 1.00 0.00 N ATOM 945 CA SER A 69 4.179 -15.859 5.273 1.00 0.00 C ATOM 946 C SER A 69 4.795 -17.206 5.657 1.00 0.00 C ATOM 947 O SER A 69 4.533 -17.726 6.740 1.00 0.00 O ATOM 948 CB SER A 69 3.261 -16.021 4.060 1.00 0.00 C ATOM 949 OG SER A 69 1.904 -16.231 4.442 1.00 0.00 O ATOM 0 H SER A 69 6.160 -15.291 4.894 1.00 0.00 H new ATOM 0 HA SER A 69 3.577 -15.493 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.328 -15.132 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.602 -16.862 3.457 1.00 0.00 H new ATOM 0 HG SER A 69 1.350 -16.328 3.640 1.00 0.00 H new ATOM 955 N GLY A 70 5.602 -17.732 4.747 1.00 0.00 N ATOM 956 CA GLY A 70 6.257 -19.009 4.977 1.00 0.00 C ATOM 957 C GLY A 70 6.379 -19.804 3.676 1.00 0.00 C ATOM 958 O GLY A 70 6.324 -19.234 2.587 1.00 0.00 O ATOM 0 H GLY A 70 5.817 -17.298 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.248 -18.843 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.691 -19.586 5.708 1.00 0.00 H new ATOM 962 N PRO A 71 6.547 -21.144 3.835 1.00 0.00 N ATOM 963 CA PRO A 71 6.678 -22.024 2.686 1.00 0.00 C ATOM 964 C PRO A 71 5.325 -22.240 2.004 1.00 0.00 C ATOM 965 O PRO A 71 4.278 -22.084 2.630 1.00 0.00 O ATOM 966 CB PRO A 71 7.275 -23.308 3.239 1.00 0.00 C ATOM 967 CG PRO A 71 7.025 -23.271 4.738 1.00 0.00 C ATOM 968 CD PRO A 71 6.616 -21.855 5.109 1.00 0.00 C ATOM 0 HA PRO A 71 7.317 -21.606 1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.808 -24.183 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.342 -23.368 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.242 -23.978 5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.923 -23.564 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.655 -21.842 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.342 -21.396 5.780 1.00 0.00 H new ATOM 976 N SER A 72 5.391 -22.594 0.729 1.00 0.00 N ATOM 977 CA SER A 72 4.185 -22.833 -0.045 1.00 0.00 C ATOM 978 C SER A 72 4.372 -24.058 -0.942 1.00 0.00 C ATOM 979 O SER A 72 3.616 -25.024 -0.844 1.00 0.00 O ATOM 980 CB SER A 72 3.820 -21.609 -0.888 1.00 0.00 C ATOM 981 OG SER A 72 2.412 -21.402 -0.948 1.00 0.00 O ATOM 0 H SER A 72 6.261 -22.721 0.212 1.00 0.00 H new ATOM 0 HA SER A 72 3.366 -23.021 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.299 -20.724 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.211 -21.735 -1.898 1.00 0.00 H new ATOM 0 HG SER A 72 2.221 -20.611 -1.494 1.00 0.00 H new ATOM 987 N SER A 73 5.383 -23.979 -1.794 1.00 0.00 N ATOM 988 CA SER A 73 5.679 -25.070 -2.708 1.00 0.00 C ATOM 989 C SER A 73 7.145 -25.484 -2.570 1.00 0.00 C ATOM 990 O SER A 73 8.006 -24.650 -2.294 1.00 0.00 O ATOM 991 CB SER A 73 5.372 -24.676 -4.154 1.00 0.00 C ATOM 992 OG SER A 73 4.992 -25.799 -4.944 1.00 0.00 O ATOM 0 H SER A 73 6.008 -23.177 -1.871 1.00 0.00 H new ATOM 0 HA SER A 73 5.043 -25.916 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.571 -23.937 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.249 -24.203 -4.595 1.00 0.00 H new ATOM 0 HG SER A 73 4.803 -25.506 -5.860 1.00 0.00 H new ATOM 998 N GLY A 74 7.384 -26.772 -2.769 1.00 0.00 N ATOM 999 CA GLY A 74 8.731 -27.307 -2.671 1.00 0.00 C ATOM 1000 C GLY A 74 8.734 -28.824 -2.868 1.00 0.00 C ATOM 1001 O GLY A 74 8.072 -29.338 -3.768 1.00 0.00 O ATOM 0 H GLY A 74 6.667 -27.461 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.368 -26.838 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.153 -27.062 -1.696 1.00 0.00 H new TER 1005 GLY A 74