USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD Set 1.1: A 62 THR OG1 : rot 89:sc= 0.773 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.934 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 51 MET CE :methyl -168:sc= 0 (180deg=-0.00223) USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 70 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 71 MET CE :methyl -118:sc= -0.45 (180deg=-1.91!) USER MOD Single : A 72 MET CE :methyl -139:sc= 0 (180deg=-0.289) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -158:sc= -0.303 (180deg=-1.11) USER MOD Single : A 77 LYS NZ :NH3+ 138:sc= 0.322 (180deg=-0.967!) USER MOD Single : A 79 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= -0.351 (180deg=-1.87!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-6.1!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -9:sc= 0.886 USER MOD Single : A 111 ASN : amide:sc= -0.242 K(o=-0.24,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 46 14.253 1.099 -9.547 1.00 0.00 N ATOM 2 CA ALA A 46 13.836 1.944 -8.406 1.00 0.00 C ATOM 3 C ALA A 46 14.048 1.206 -7.095 1.00 0.00 C ATOM 4 O ALA A 46 13.639 0.053 -6.949 1.00 0.00 O ATOM 5 CB ALA A 46 12.380 2.355 -8.555 1.00 0.00 C ATOM 0 HA ALA A 46 14.450 2.844 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.089 2.976 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.254 2.919 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.752 1.465 -8.585 1.00 0.00 H new ATOM 13 N GLU A 47 14.691 1.871 -6.142 1.00 0.00 N ATOM 14 CA GLU A 47 14.984 1.264 -4.852 1.00 0.00 C ATOM 15 C GLU A 47 13.730 1.241 -3.986 1.00 0.00 C ATOM 16 O GLU A 47 13.015 2.237 -3.878 1.00 0.00 O ATOM 17 CB GLU A 47 16.103 2.033 -4.144 1.00 0.00 C ATOM 18 CG GLU A 47 17.347 2.239 -4.999 1.00 0.00 C ATOM 19 CD GLU A 47 17.810 0.962 -5.670 1.00 0.00 C ATOM 20 OE1 GLU A 47 18.308 0.058 -4.966 1.00 0.00 O ATOM 21 OE2 GLU A 47 17.662 0.848 -6.905 1.00 0.00 O ATOM 0 H GLU A 47 15.019 2.832 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 47 15.317 0.239 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.722 3.006 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.382 1.496 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.140 2.991 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.151 2.630 -4.376 1.00 0.00 H new ATOM 28 N LEU A 48 13.479 0.088 -3.373 1.00 0.00 N ATOM 29 CA LEU A 48 12.251 -0.147 -2.618 1.00 0.00 C ATOM 30 C LEU A 48 12.119 0.772 -1.415 1.00 0.00 C ATOM 31 O LEU A 48 11.021 1.235 -1.116 1.00 0.00 O ATOM 32 CB LEU A 48 12.160 -1.608 -2.173 1.00 0.00 C ATOM 33 CG LEU A 48 11.874 -2.603 -3.295 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.725 -4.005 -2.738 1.00 0.00 C ATOM 35 CD2 LEU A 48 10.620 -2.198 -4.045 1.00 0.00 C ATOM 0 H LEU A 48 14.118 -0.707 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 48 11.424 0.078 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.097 -1.885 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.376 -1.696 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 48 12.715 -2.596 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.522 -4.700 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.647 -4.296 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.900 -4.028 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.426 -2.915 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.774 -2.182 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.757 -1.206 -4.474 1.00 0.00 H new ATOM 47 N GLN A 49 13.220 1.030 -0.722 1.00 0.00 N ATOM 48 CA GLN A 49 13.191 1.930 0.425 1.00 0.00 C ATOM 49 C GLN A 49 12.930 3.355 -0.041 1.00 0.00 C ATOM 50 O GLN A 49 12.167 4.097 0.578 1.00 0.00 O ATOM 51 CB GLN A 49 14.504 1.876 1.202 1.00 0.00 C ATOM 52 CG GLN A 49 14.494 2.748 2.446 1.00 0.00 C ATOM 53 CD GLN A 49 15.863 2.899 3.068 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.705 2.005 2.979 1.00 0.00 O ATOM 55 NE2 GLN A 49 16.097 4.037 3.695 1.00 0.00 N ATOM 0 H GLN A 49 14.136 0.634 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 49 12.387 1.608 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.707 0.845 1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.319 2.192 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.106 3.734 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.812 2.318 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.370 4.751 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.005 4.202 4.130 1.00 0.00 H new ATOM 64 N ASP A 50 13.547 3.713 -1.160 1.00 0.00 N ATOM 65 CA ASP A 50 13.393 5.042 -1.736 1.00 0.00 C ATOM 66 C ASP A 50 11.941 5.266 -2.131 1.00 0.00 C ATOM 67 O ASP A 50 11.358 6.313 -1.851 1.00 0.00 O ATOM 68 CB ASP A 50 14.302 5.195 -2.957 1.00 0.00 C ATOM 69 CG ASP A 50 14.243 6.583 -3.563 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.991 7.463 -3.099 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.466 6.792 -4.517 1.00 0.00 O ATOM 0 H ASP A 50 14.163 3.096 -1.690 1.00 0.00 H new ATOM 0 HA ASP A 50 13.678 5.787 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.330 4.972 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.016 4.462 -3.711 1.00 0.00 H new ATOM 76 N MET A 51 11.355 4.249 -2.752 1.00 0.00 N ATOM 77 CA MET A 51 9.952 4.291 -3.138 1.00 0.00 C ATOM 78 C MET A 51 9.062 4.437 -1.901 1.00 0.00 C ATOM 79 O MET A 51 8.027 5.093 -1.951 1.00 0.00 O ATOM 80 CB MET A 51 9.580 3.032 -3.932 1.00 0.00 C ATOM 81 CG MET A 51 8.168 3.057 -4.511 1.00 0.00 C ATOM 82 SD MET A 51 7.935 4.374 -5.721 1.00 0.00 S ATOM 83 CE MET A 51 6.218 4.122 -6.170 1.00 0.00 C ATOM 0 H MET A 51 11.833 3.383 -2.999 1.00 0.00 H new ATOM 0 HA MET A 51 9.791 5.159 -3.778 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.293 2.905 -4.746 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.680 2.163 -3.282 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.955 2.096 -4.980 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.450 3.182 -3.701 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.983 4.713 -7.055 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.049 3.066 -6.382 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.577 4.434 -5.345 1.00 0.00 H new ATOM 93 N ILE A 52 9.492 3.858 -0.777 1.00 0.00 N ATOM 94 CA ILE A 52 8.739 3.966 0.475 1.00 0.00 C ATOM 95 C ILE A 52 8.738 5.419 0.944 1.00 0.00 C ATOM 96 O ILE A 52 7.733 5.936 1.432 1.00 0.00 O ATOM 97 CB ILE A 52 9.343 3.081 1.599 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.208 1.594 1.259 1.00 0.00 C ATOM 99 CG2 ILE A 52 8.680 3.382 2.938 1.00 0.00 C ATOM 100 CD1 ILE A 52 9.851 0.673 2.276 1.00 0.00 C ATOM 0 H ILE A 52 10.352 3.313 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 52 7.725 3.620 0.277 1.00 0.00 H new ATOM 0 HB ILE A 52 10.404 3.318 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.150 1.345 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.657 1.412 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.118 2.751 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.836 4.430 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.611 3.181 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.714 -0.363 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.916 0.893 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.386 0.825 3.250 1.00 0.00 H new ATOM 112 N ASN A 53 9.869 6.070 0.739 1.00 0.00 N ATOM 113 CA ASN A 53 10.067 7.440 1.192 1.00 0.00 C ATOM 114 C ASN A 53 9.311 8.418 0.297 1.00 0.00 C ATOM 115 O ASN A 53 8.990 9.533 0.708 1.00 0.00 O ATOM 116 CB ASN A 53 11.559 7.786 1.219 1.00 0.00 C ATOM 117 CG ASN A 53 12.350 6.935 2.202 1.00 0.00 C ATOM 118 OD1 ASN A 53 11.728 6.558 3.312 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.519 6.629 1.969 1.00 0.00 N flip ATOM 0 H ASN A 53 10.673 5.669 0.257 1.00 0.00 H new ATOM 0 HA ASN A 53 9.673 7.525 2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.974 7.657 0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.678 8.838 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.964 6.937 1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.043 6.067 2.640 1.00 0.00 H new ATOM 126 N GLU A 54 9.025 7.992 -0.929 1.00 0.00 N ATOM 127 CA GLU A 54 8.255 8.804 -1.867 1.00 0.00 C ATOM 128 C GLU A 54 6.757 8.555 -1.693 1.00 0.00 C ATOM 129 O GLU A 54 5.932 9.437 -1.941 1.00 0.00 O ATOM 130 CB GLU A 54 8.678 8.486 -3.304 1.00 0.00 C ATOM 131 CG GLU A 54 10.130 8.821 -3.597 1.00 0.00 C ATOM 132 CD GLU A 54 10.386 10.312 -3.677 1.00 0.00 C ATOM 133 OE1 GLU A 54 10.307 10.984 -2.628 1.00 0.00 O ATOM 134 OE2 GLU A 54 10.664 10.825 -4.784 1.00 0.00 O ATOM 0 H GLU A 54 9.316 7.086 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 54 8.455 9.855 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.512 7.426 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.040 9.039 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.761 8.390 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.422 8.356 -4.539 1.00 0.00 H new ATOM 141 N VAL A 55 6.424 7.342 -1.278 1.00 0.00 N ATOM 142 CA VAL A 55 5.034 6.959 -1.067 1.00 0.00 C ATOM 143 C VAL A 55 4.510 7.486 0.272 1.00 0.00 C ATOM 144 O VAL A 55 3.335 7.840 0.388 1.00 0.00 O ATOM 145 CB VAL A 55 4.864 5.419 -1.141 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.501 4.985 -0.630 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.061 4.934 -2.571 1.00 0.00 C ATOM 0 H VAL A 55 7.099 6.603 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 55 4.446 7.411 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 55 5.624 4.971 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.416 3.900 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.386 5.295 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.721 5.448 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.939 3.851 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.323 5.405 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.063 5.198 -2.910 1.00 0.00 H new ATOM 157 N ASP A 56 5.384 7.565 1.273 1.00 0.00 N ATOM 158 CA ASP A 56 4.990 8.111 2.568 1.00 0.00 C ATOM 159 C ASP A 56 4.538 9.553 2.441 1.00 0.00 C ATOM 160 O ASP A 56 5.286 10.441 2.030 1.00 0.00 O ATOM 161 CB ASP A 56 6.102 7.994 3.598 1.00 0.00 C ATOM 162 CG ASP A 56 5.542 7.969 5.006 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.309 8.040 5.157 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.342 7.901 5.981 1.00 0.00 O ATOM 0 H ASP A 56 6.356 7.262 1.214 1.00 0.00 H new ATOM 0 HA ASP A 56 4.149 7.513 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.676 7.086 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.790 8.833 3.492 1.00 0.00 H new ATOM 169 N ALA A 57 3.296 9.748 2.817 1.00 0.00 N ATOM 170 CA ALA A 57 2.630 11.029 2.691 1.00 0.00 C ATOM 171 C ALA A 57 2.630 11.750 4.025 1.00 0.00 C ATOM 172 O ALA A 57 2.852 12.957 4.100 1.00 0.00 O ATOM 173 CB ALA A 57 1.208 10.844 2.182 1.00 0.00 C ATOM 0 H ALA A 57 2.712 9.017 3.223 1.00 0.00 H new ATOM 0 HA ALA A 57 3.174 11.636 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.724 11.817 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.231 10.360 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.649 10.223 2.882 1.00 0.00 H new ATOM 179 N ASP A 58 2.398 10.985 5.082 1.00 0.00 N ATOM 180 CA ASP A 58 2.184 11.555 6.404 1.00 0.00 C ATOM 181 C ASP A 58 3.421 11.491 7.281 1.00 0.00 C ATOM 182 O ASP A 58 3.527 12.231 8.261 1.00 0.00 O ATOM 183 CB ASP A 58 1.062 10.798 7.109 1.00 0.00 C ATOM 184 CG ASP A 58 1.519 9.427 7.580 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.168 8.700 6.783 1.00 0.00 O ATOM 186 OD2 ASP A 58 1.244 9.069 8.737 1.00 0.00 O ATOM 0 H ASP A 58 2.353 9.967 5.050 1.00 0.00 H new ATOM 0 HA ASP A 58 1.928 12.604 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.712 11.378 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.216 10.687 6.431 1.00 0.00 H new ATOM 191 N GLY A 59 4.353 10.613 6.941 1.00 0.00 N ATOM 192 CA GLY A 59 5.514 10.449 7.789 1.00 0.00 C ATOM 193 C GLY A 59 5.268 9.383 8.840 1.00 0.00 C ATOM 194 O GLY A 59 5.031 9.675 10.011 1.00 0.00 O ATOM 0 H GLY A 59 4.328 10.022 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.377 10.175 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.752 11.396 8.274 1.00 0.00 H new ATOM 198 N ASN A 60 5.330 8.145 8.393 1.00 0.00 N ATOM 199 CA ASN A 60 5.065 7.009 9.289 1.00 0.00 C ATOM 200 C ASN A 60 5.937 5.799 8.935 1.00 0.00 C ATOM 201 O ASN A 60 6.053 4.860 9.723 1.00 0.00 O ATOM 202 CB ASN A 60 3.570 6.651 9.382 1.00 0.00 C ATOM 203 CG ASN A 60 2.977 6.094 8.113 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.476 6.343 7.027 1.00 0.00 O ATOM 205 ND2 ASN A 60 1.871 5.378 8.240 1.00 0.00 N ATOM 0 H ASN A 60 5.557 7.889 7.432 1.00 0.00 H new ATOM 0 HA ASN A 60 5.350 7.330 10.291 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.434 5.923 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.013 7.544 9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.403 5.011 7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.487 5.193 9.167 1.00 0.00 H new ATOM 212 N GLY A 61 6.547 5.823 7.745 1.00 0.00 N ATOM 213 CA GLY A 61 7.399 4.729 7.315 1.00 0.00 C ATOM 214 C GLY A 61 6.687 3.808 6.340 1.00 0.00 C ATOM 215 O GLY A 61 7.250 2.816 5.878 1.00 0.00 O ATOM 0 H GLY A 61 6.463 6.586 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.297 5.131 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.723 4.157 8.185 1.00 0.00 H new ATOM 219 N THR A 62 5.441 4.136 6.036 1.00 0.00 N ATOM 220 CA THR A 62 4.611 3.283 5.202 1.00 0.00 C ATOM 221 C THR A 62 3.435 4.068 4.625 1.00 0.00 C ATOM 222 O THR A 62 3.340 5.288 4.796 1.00 0.00 O ATOM 223 CB THR A 62 4.097 2.065 6.012 1.00 0.00 C ATOM 224 OG1 THR A 62 3.409 1.141 5.158 1.00 0.00 O ATOM 225 CG2 THR A 62 3.171 2.507 7.136 1.00 0.00 C ATOM 0 H THR A 62 4.982 4.989 6.356 1.00 0.00 H new ATOM 0 HA THR A 62 5.221 2.920 4.375 1.00 0.00 H new ATOM 0 HB THR A 62 4.965 1.570 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.050 0.499 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.825 1.633 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.710 3.172 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.314 3.033 6.716 1.00 0.00 H new ATOM 233 N ILE A 63 2.572 3.386 3.895 1.00 0.00 N ATOM 234 CA ILE A 63 1.278 3.935 3.564 1.00 0.00 C ATOM 235 C ILE A 63 0.276 3.501 4.636 1.00 0.00 C ATOM 236 O ILE A 63 0.359 2.384 5.161 1.00 0.00 O ATOM 237 CB ILE A 63 0.810 3.496 2.147 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.542 4.726 1.274 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.431 2.613 2.210 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.108 4.391 -0.139 1.00 0.00 C ATOM 0 H ILE A 63 2.747 2.453 3.522 1.00 0.00 H new ATOM 0 HA ILE A 63 1.347 5.023 3.542 1.00 0.00 H new ATOM 0 HB ILE A 63 1.612 2.907 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.229 5.334 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.446 5.334 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.726 2.328 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.211 1.717 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.244 3.162 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.063 5.313 -0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.888 3.809 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.814 3.810 -0.108 1.00 0.00 H new ATOM 252 N ASP A 64 -0.637 4.391 4.971 1.00 0.00 N ATOM 253 CA ASP A 64 -1.684 4.122 5.943 1.00 0.00 C ATOM 254 C ASP A 64 -2.983 4.094 5.161 1.00 0.00 C ATOM 255 O ASP A 64 -2.960 4.341 3.954 1.00 0.00 O ATOM 256 CB ASP A 64 -1.701 5.217 7.022 1.00 0.00 C ATOM 257 CG ASP A 64 -2.765 5.024 8.093 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.120 3.857 8.375 1.00 0.00 O ATOM 259 OD2 ASP A 64 -3.239 6.024 8.668 1.00 0.00 O ATOM 0 H ASP A 64 -0.675 5.330 4.574 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.525 3.177 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.723 5.254 7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.857 6.183 6.541 1.00 0.00 H new ATOM 264 N PHE A 65 -4.096 3.810 5.802 1.00 0.00 N ATOM 265 CA PHE A 65 -5.374 3.767 5.099 1.00 0.00 C ATOM 266 C PHE A 65 -5.659 5.081 4.347 1.00 0.00 C ATOM 267 O PHE A 65 -5.861 5.055 3.133 1.00 0.00 O ATOM 268 CB PHE A 65 -6.514 3.413 6.060 1.00 0.00 C ATOM 269 CG PHE A 65 -6.486 1.977 6.514 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.629 1.565 7.526 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.315 1.038 5.921 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.600 0.245 7.934 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.289 -0.283 6.325 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.433 -0.680 7.333 1.00 0.00 C ATOM 0 H PHE A 65 -4.150 3.606 6.800 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.310 2.979 4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.460 4.064 6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.467 3.614 5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.978 2.285 8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.989 1.342 5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.928 -0.063 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.938 -1.005 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.414 -1.712 7.651 1.00 0.00 H new ATOM 284 N PRO A 66 -5.655 6.252 5.030 1.00 0.00 N ATOM 285 CA PRO A 66 -5.844 7.547 4.360 1.00 0.00 C ATOM 286 C PRO A 66 -4.829 7.786 3.240 1.00 0.00 C ATOM 287 O PRO A 66 -5.179 8.302 2.172 1.00 0.00 O ATOM 288 CB PRO A 66 -5.646 8.568 5.483 1.00 0.00 C ATOM 289 CG PRO A 66 -5.966 7.823 6.728 1.00 0.00 C ATOM 290 CD PRO A 66 -5.497 6.417 6.488 1.00 0.00 C ATOM 0 HA PRO A 66 -6.819 7.608 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.624 8.946 5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.303 9.429 5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.462 8.263 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.035 7.849 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.461 6.280 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.095 5.693 7.042 1.00 0.00 H new ATOM 298 N GLU A 67 -3.575 7.395 3.475 1.00 0.00 N ATOM 299 CA GLU A 67 -2.524 7.577 2.479 1.00 0.00 C ATOM 300 C GLU A 67 -2.836 6.766 1.227 1.00 0.00 C ATOM 301 O GLU A 67 -2.853 7.301 0.117 1.00 0.00 O ATOM 302 CB GLU A 67 -1.153 7.151 3.021 1.00 0.00 C ATOM 303 CG GLU A 67 -0.669 7.948 4.222 1.00 0.00 C ATOM 304 CD GLU A 67 0.745 7.576 4.638 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.938 6.649 5.437 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.710 8.224 4.209 1.00 0.00 O ATOM 0 H GLU A 67 -3.266 6.953 4.341 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.488 8.639 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.198 6.097 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.417 7.241 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.707 9.012 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.346 7.783 5.060 1.00 0.00 H new ATOM 313 N PHE A 68 -3.098 5.477 1.424 1.00 0.00 N ATOM 314 CA PHE A 68 -3.343 4.565 0.316 1.00 0.00 C ATOM 315 C PHE A 68 -4.543 5.008 -0.500 1.00 0.00 C ATOM 316 O PHE A 68 -4.456 5.123 -1.716 1.00 0.00 O ATOM 317 CB PHE A 68 -3.559 3.136 0.820 1.00 0.00 C ATOM 318 CG PHE A 68 -3.649 2.125 -0.289 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.518 1.761 -1.003 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.865 1.547 -0.625 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.595 0.840 -2.030 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.949 0.627 -1.651 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.814 0.273 -2.355 1.00 0.00 C ATOM 0 H PHE A 68 -3.146 5.041 2.345 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.460 4.583 -0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.739 2.864 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.474 3.100 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.565 2.203 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.755 1.820 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.706 0.564 -2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.901 0.184 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.879 -0.446 -3.158 1.00 0.00 H new ATOM 333 N LEU A 69 -5.653 5.281 0.175 1.00 0.00 N ATOM 334 CA LEU A 69 -6.879 5.677 -0.498 1.00 0.00 C ATOM 335 C LEU A 69 -6.688 6.916 -1.354 1.00 0.00 C ATOM 336 O LEU A 69 -7.184 6.980 -2.480 1.00 0.00 O ATOM 337 CB LEU A 69 -7.984 5.917 0.523 1.00 0.00 C ATOM 338 CG LEU A 69 -8.841 4.698 0.823 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.474 4.197 -0.461 1.00 0.00 C ATOM 340 CD2 LEU A 69 -8.029 3.598 1.486 1.00 0.00 C ATOM 0 H LEU A 69 -5.727 5.234 1.191 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.163 4.860 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.533 6.266 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.628 6.718 0.161 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.625 4.988 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.089 3.323 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.097 4.982 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.692 3.926 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.672 2.741 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.218 3.295 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.614 3.967 2.424 1.00 0.00 H new ATOM 352 N THR A 70 -5.947 7.884 -0.837 1.00 0.00 N ATOM 353 CA THR A 70 -5.769 9.135 -1.543 1.00 0.00 C ATOM 354 C THR A 70 -4.826 8.954 -2.733 1.00 0.00 C ATOM 355 O THR A 70 -5.065 9.481 -3.811 1.00 0.00 O ATOM 356 CB THR A 70 -5.221 10.234 -0.609 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.035 10.324 0.568 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.200 11.585 -1.308 1.00 0.00 C ATOM 0 H THR A 70 -5.465 7.825 0.060 1.00 0.00 H new ATOM 0 HA THR A 70 -6.748 9.447 -1.906 1.00 0.00 H new ATOM 0 HB THR A 70 -4.201 9.966 -0.335 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.698 9.703 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.809 12.341 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.563 11.528 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.212 11.855 -1.608 1.00 0.00 H new ATOM 366 N MET A 71 -3.755 8.197 -2.525 1.00 0.00 N ATOM 367 CA MET A 71 -2.770 7.946 -3.573 1.00 0.00 C ATOM 368 C MET A 71 -3.286 6.939 -4.598 1.00 0.00 C ATOM 369 O MET A 71 -2.838 6.932 -5.747 1.00 0.00 O ATOM 370 CB MET A 71 -1.455 7.443 -2.970 1.00 0.00 C ATOM 371 CG MET A 71 -0.729 8.455 -2.087 1.00 0.00 C ATOM 372 SD MET A 71 -0.231 9.951 -2.971 1.00 0.00 S ATOM 373 CE MET A 71 -1.661 11.008 -2.736 1.00 0.00 C ATOM 0 H MET A 71 -3.545 7.744 -1.636 1.00 0.00 H new ATOM 0 HA MET A 71 -2.591 8.892 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.660 6.549 -2.381 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.790 7.146 -3.781 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.377 8.732 -1.256 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.155 7.984 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.103 11.243 -3.704 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.396 10.493 -2.117 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.354 11.931 -2.244 1.00 0.00 H new ATOM 383 N MET A 72 -4.203 6.077 -4.184 1.00 0.00 N ATOM 384 CA MET A 72 -4.835 5.147 -5.108 1.00 0.00 C ATOM 385 C MET A 72 -5.785 5.909 -6.018 1.00 0.00 C ATOM 386 O MET A 72 -5.528 6.052 -7.218 1.00 0.00 O ATOM 387 CB MET A 72 -5.591 4.060 -4.342 1.00 0.00 C ATOM 388 CG MET A 72 -6.212 2.994 -5.227 1.00 0.00 C ATOM 389 SD MET A 72 -7.161 1.787 -4.282 1.00 0.00 S ATOM 390 CE MET A 72 -7.679 0.669 -5.578 1.00 0.00 C ATOM 0 H MET A 72 -4.525 6.002 -3.219 1.00 0.00 H new ATOM 0 HA MET A 72 -4.066 4.665 -5.711 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.906 3.582 -3.642 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.377 4.528 -3.750 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.862 3.469 -5.962 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.425 2.481 -5.781 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.715 0.373 -5.411 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.595 1.168 -6.544 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.043 -0.216 -5.570 1.00 0.00 H new ATOM 400 N ALA A 73 -6.870 6.419 -5.433 1.00 0.00 N ATOM 401 CA ALA A 73 -7.813 7.290 -6.130 1.00 0.00 C ATOM 402 C ALA A 73 -7.142 8.489 -6.778 1.00 0.00 C ATOM 403 O ALA A 73 -7.767 9.180 -7.585 1.00 0.00 O ATOM 404 CB ALA A 73 -8.889 7.765 -5.167 1.00 0.00 C ATOM 0 H ALA A 73 -7.119 6.238 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.257 6.698 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.588 8.414 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.424 6.904 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.427 8.318 -4.349 1.00 0.00 H new ATOM 410 N ARG A 74 -5.893 8.755 -6.404 1.00 0.00 N ATOM 411 CA ARG A 74 -5.149 9.861 -6.979 1.00 0.00 C ATOM 412 C ARG A 74 -5.182 9.776 -8.504 1.00 0.00 C ATOM 413 O ARG A 74 -5.310 10.789 -9.193 1.00 0.00 O ATOM 414 CB ARG A 74 -3.697 9.868 -6.493 1.00 0.00 C ATOM 415 CG ARG A 74 -2.909 11.077 -6.965 1.00 0.00 C ATOM 416 CD ARG A 74 -3.500 12.369 -6.424 1.00 0.00 C ATOM 417 NE ARG A 74 -2.903 13.550 -7.044 1.00 0.00 N ATOM 418 CZ ARG A 74 -3.369 14.788 -6.883 1.00 0.00 C ATOM 419 NH1 ARG A 74 -4.395 15.017 -6.066 1.00 0.00 N ATOM 420 NH2 ARG A 74 -2.800 15.799 -7.524 1.00 0.00 N ATOM 0 H ARG A 74 -5.379 8.218 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.621 10.788 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.686 9.839 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.201 8.962 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.872 10.986 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.902 11.106 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.576 12.375 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.350 12.412 -5.345 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.082 13.419 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.827 14.243 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.749 15.966 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.005 15.629 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.157 16.747 -7.401 1.00 0.00 H new ATOM 434 N LYS A 75 -5.063 8.556 -9.018 1.00 0.00 N ATOM 435 CA LYS A 75 -5.155 8.327 -10.452 1.00 0.00 C ATOM 436 C LYS A 75 -6.206 7.266 -10.783 1.00 0.00 C ATOM 437 O LYS A 75 -7.113 7.516 -11.576 1.00 0.00 O ATOM 438 CB LYS A 75 -3.792 7.911 -11.015 1.00 0.00 C ATOM 439 CG LYS A 75 -2.703 8.959 -10.823 1.00 0.00 C ATOM 440 CD LYS A 75 -1.380 8.521 -11.433 1.00 0.00 C ATOM 441 CE LYS A 75 -1.485 8.360 -12.942 1.00 0.00 C ATOM 442 NZ LYS A 75 -0.193 7.944 -13.551 1.00 0.00 N ATOM 0 H LYS A 75 -4.903 7.715 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.463 9.263 -10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.479 6.983 -10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.898 7.701 -12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.019 9.898 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.566 9.150 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.609 9.255 -11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.068 7.577 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.250 7.620 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.808 9.302 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.310 7.846 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.532 8.662 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.103 7.032 -13.148 1.00 0.00 H new ATOM 456 N MET A 76 -6.103 6.090 -10.169 1.00 0.00 N ATOM 457 CA MET A 76 -7.034 5.006 -10.474 1.00 0.00 C ATOM 458 C MET A 76 -7.988 4.748 -9.305 1.00 0.00 C ATOM 459 O MET A 76 -7.566 4.350 -8.219 1.00 0.00 O ATOM 460 CB MET A 76 -6.290 3.721 -10.870 1.00 0.00 C ATOM 461 CG MET A 76 -5.375 3.155 -9.794 1.00 0.00 C ATOM 462 SD MET A 76 -4.620 1.591 -10.285 1.00 0.00 S ATOM 463 CE MET A 76 -6.078 0.598 -10.611 1.00 0.00 C ATOM 0 H MET A 76 -5.397 5.865 -9.468 1.00 0.00 H new ATOM 0 HA MET A 76 -7.631 5.321 -11.330 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.024 2.961 -11.139 1.00 0.00 H new ATOM 0 HB3 MET A 76 -5.697 3.922 -11.762 1.00 0.00 H new ATOM 0 HG2 MET A 76 -4.592 3.879 -9.570 1.00 0.00 H new ATOM 0 HG3 MET A 76 -5.945 3.008 -8.877 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.821 -0.459 -10.541 1.00 0.00 H new ATOM 0 HE2 MET A 76 -6.850 0.834 -9.878 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.450 0.815 -11.612 1.00 0.00 H new ATOM 473 N LYS A 77 -9.270 4.983 -9.515 1.00 0.00 N ATOM 474 CA LYS A 77 -10.263 4.678 -8.497 1.00 0.00 C ATOM 475 C LYS A 77 -11.181 3.549 -8.953 1.00 0.00 C ATOM 476 O LYS A 77 -11.773 3.623 -10.031 1.00 0.00 O ATOM 477 CB LYS A 77 -11.087 5.917 -8.148 1.00 0.00 C ATOM 478 CG LYS A 77 -12.054 5.680 -7.000 1.00 0.00 C ATOM 479 CD LYS A 77 -11.319 5.323 -5.715 1.00 0.00 C ATOM 480 CE LYS A 77 -12.263 4.748 -4.673 1.00 0.00 C ATOM 481 NZ LYS A 77 -13.435 5.631 -4.432 1.00 0.00 N ATOM 0 H LYS A 77 -9.648 5.381 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.731 4.353 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.414 6.733 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.646 6.235 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.656 6.574 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.742 4.876 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.533 4.600 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.832 6.212 -5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.609 3.768 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.723 4.600 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.296 5.052 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.295 6.160 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.535 6.299 -5.223 1.00 0.00 H new ATOM 495 N ASP A 78 -11.297 2.504 -8.143 1.00 0.00 N ATOM 496 CA ASP A 78 -12.229 1.424 -8.446 1.00 0.00 C ATOM 497 C ASP A 78 -13.050 1.026 -7.217 1.00 0.00 C ATOM 498 O ASP A 78 -14.270 1.172 -7.213 1.00 0.00 O ATOM 499 CB ASP A 78 -11.505 0.202 -9.045 1.00 0.00 C ATOM 500 CG ASP A 78 -10.415 -0.360 -8.155 1.00 0.00 C ATOM 501 OD1 ASP A 78 -9.280 0.151 -8.206 1.00 0.00 O ATOM 502 OD2 ASP A 78 -10.687 -1.321 -7.404 1.00 0.00 O ATOM 0 H ASP A 78 -10.765 2.381 -7.282 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.921 1.802 -9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.237 -0.580 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.069 0.483 -10.004 1.00 0.00 H new ATOM 507 N THR A 79 -12.393 0.546 -6.171 1.00 0.00 N ATOM 508 CA THR A 79 -13.100 0.035 -5.005 1.00 0.00 C ATOM 509 C THR A 79 -12.739 0.808 -3.739 1.00 0.00 C ATOM 510 O THR A 79 -11.560 0.987 -3.437 1.00 0.00 O ATOM 511 CB THR A 79 -12.756 -1.451 -4.783 1.00 0.00 C ATOM 512 OG1 THR A 79 -12.824 -2.159 -6.028 1.00 0.00 O ATOM 513 CG2 THR A 79 -13.706 -2.091 -3.783 1.00 0.00 C ATOM 0 H THR A 79 -11.376 0.500 -6.105 1.00 0.00 H new ATOM 0 HA THR A 79 -14.166 0.155 -5.200 1.00 0.00 H new ATOM 0 HB THR A 79 -11.744 -1.507 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.018 -1.974 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.439 -3.139 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.633 -1.571 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.728 -2.023 -4.157 1.00 0.00 H new ATOM 521 N ASP A 80 -13.745 1.291 -3.013 1.00 0.00 N ATOM 522 CA ASP A 80 -13.503 1.862 -1.693 1.00 0.00 C ATOM 523 C ASP A 80 -14.439 1.260 -0.650 1.00 0.00 C ATOM 524 O ASP A 80 -15.397 1.883 -0.209 1.00 0.00 O ATOM 525 CB ASP A 80 -13.640 3.395 -1.712 1.00 0.00 C ATOM 526 CG ASP A 80 -14.973 3.880 -2.262 1.00 0.00 C ATOM 527 OD1 ASP A 80 -15.144 3.868 -3.496 1.00 0.00 O ATOM 528 OD2 ASP A 80 -15.839 4.302 -1.470 1.00 0.00 O ATOM 0 H ASP A 80 -14.720 1.298 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.478 1.614 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.515 3.775 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.834 3.816 -2.312 1.00 0.00 H new ATOM 533 N SER A 81 -14.149 0.037 -0.251 1.00 0.00 N ATOM 534 CA SER A 81 -14.778 -0.557 0.913 1.00 0.00 C ATOM 535 C SER A 81 -13.704 -0.999 1.881 1.00 0.00 C ATOM 536 O SER A 81 -12.849 -1.814 1.550 1.00 0.00 O ATOM 537 CB SER A 81 -15.653 -1.735 0.489 1.00 0.00 C ATOM 538 OG SER A 81 -16.616 -1.322 -0.467 1.00 0.00 O ATOM 0 H SER A 81 -13.476 -0.569 -0.720 1.00 0.00 H new ATOM 0 HA SER A 81 -15.418 0.175 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.030 -2.525 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.155 -2.155 1.361 1.00 0.00 H new ATOM 0 HG SER A 81 -17.167 -2.089 -0.729 1.00 0.00 H new ATOM 544 N GLU A 82 -13.757 -0.418 3.078 1.00 0.00 N ATOM 545 CA GLU A 82 -12.670 -0.493 4.049 1.00 0.00 C ATOM 546 C GLU A 82 -12.241 -1.928 4.312 1.00 0.00 C ATOM 547 O GLU A 82 -11.051 -2.201 4.442 1.00 0.00 O ATOM 548 CB GLU A 82 -13.075 0.184 5.361 1.00 0.00 C ATOM 549 CG GLU A 82 -11.920 0.344 6.338 1.00 0.00 C ATOM 550 CD GLU A 82 -12.330 1.028 7.623 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.398 2.275 7.642 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.588 0.319 8.618 1.00 0.00 O ATOM 0 H GLU A 82 -14.560 0.121 3.402 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.817 0.035 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.494 1.166 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.864 -0.400 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.508 -0.638 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.125 0.919 5.863 1.00 0.00 H new ATOM 559 N GLU A 83 -13.203 -2.840 4.385 1.00 0.00 N ATOM 560 CA GLU A 83 -12.904 -4.254 4.610 1.00 0.00 C ATOM 561 C GLU A 83 -12.095 -4.827 3.454 1.00 0.00 C ATOM 562 O GLU A 83 -11.119 -5.553 3.655 1.00 0.00 O ATOM 563 CB GLU A 83 -14.205 -5.034 4.763 1.00 0.00 C ATOM 564 CG GLU A 83 -15.151 -4.437 5.789 1.00 0.00 C ATOM 565 CD GLU A 83 -16.506 -5.104 5.773 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.676 -6.126 6.462 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.406 -4.608 5.059 1.00 0.00 O ATOM 0 H GLU A 83 -14.197 -2.629 4.292 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.313 -4.342 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.709 -5.078 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.973 -6.060 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.713 -4.532 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.270 -3.371 5.594 1.00 0.00 H new ATOM 574 N GLU A 84 -12.497 -4.484 2.243 1.00 0.00 N ATOM 575 CA GLU A 84 -11.810 -4.949 1.050 1.00 0.00 C ATOM 576 C GLU A 84 -10.481 -4.230 0.887 1.00 0.00 C ATOM 577 O GLU A 84 -9.545 -4.766 0.301 1.00 0.00 O ATOM 578 CB GLU A 84 -12.684 -4.751 -0.186 1.00 0.00 C ATOM 579 CG GLU A 84 -13.916 -5.636 -0.193 1.00 0.00 C ATOM 580 CD GLU A 84 -13.564 -7.112 -0.195 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.253 -7.653 0.885 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.603 -7.739 -1.275 1.00 0.00 O ATOM 0 H GLU A 84 -13.300 -3.882 2.059 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.613 -6.015 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.994 -3.707 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.092 -4.955 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.527 -5.412 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.520 -5.407 -1.071 1.00 0.00 H new ATOM 589 N ILE A 85 -10.404 -3.009 1.400 1.00 0.00 N ATOM 590 CA ILE A 85 -9.159 -2.267 1.408 1.00 0.00 C ATOM 591 C ILE A 85 -8.194 -2.883 2.424 1.00 0.00 C ATOM 592 O ILE A 85 -6.992 -2.923 2.199 1.00 0.00 O ATOM 593 CB ILE A 85 -9.373 -0.767 1.719 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.394 -0.157 0.753 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.059 -0.006 1.625 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.994 -0.251 -0.706 1.00 0.00 C ATOM 0 H ILE A 85 -11.193 -2.514 1.816 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.732 -2.331 0.407 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.755 -0.686 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.352 -0.658 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.543 0.891 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.232 1.047 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.349 -0.417 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.654 -0.102 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.768 0.202 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.052 0.275 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.874 -1.298 -0.984 1.00 0.00 H new ATOM 608 N ARG A 86 -8.733 -3.378 3.539 1.00 0.00 N ATOM 609 CA ARG A 86 -7.934 -4.142 4.499 1.00 0.00 C ATOM 610 C ARG A 86 -7.377 -5.392 3.830 1.00 0.00 C ATOM 611 O ARG A 86 -6.236 -5.793 4.071 1.00 0.00 O ATOM 612 CB ARG A 86 -8.767 -4.539 5.722 1.00 0.00 C ATOM 613 CG ARG A 86 -9.065 -3.392 6.670 1.00 0.00 C ATOM 614 CD ARG A 86 -9.859 -3.870 7.877 1.00 0.00 C ATOM 615 NE ARG A 86 -9.202 -4.989 8.554 1.00 0.00 N ATOM 616 CZ ARG A 86 -9.669 -5.584 9.653 1.00 0.00 C ATOM 617 NH1 ARG A 86 -10.736 -5.104 10.280 1.00 0.00 N ATOM 618 NH2 ARG A 86 -9.052 -6.655 10.136 1.00 0.00 N ATOM 0 H ARG A 86 -9.713 -3.265 3.799 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.113 -3.509 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.709 -4.969 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.239 -5.320 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.131 -2.939 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.626 -2.619 6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.985 -3.045 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.856 -4.173 7.559 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.328 -5.337 8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.207 -4.273 9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.085 -5.566 11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.223 -7.021 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.406 -7.112 10.976 1.00 0.00 H new ATOM 632 N GLU A 87 -8.184 -5.980 2.953 1.00 0.00 N ATOM 633 CA GLU A 87 -7.772 -7.145 2.192 1.00 0.00 C ATOM 634 C GLU A 87 -6.744 -6.722 1.151 1.00 0.00 C ATOM 635 O GLU A 87 -5.878 -7.498 0.752 1.00 0.00 O ATOM 636 CB GLU A 87 -8.978 -7.802 1.511 1.00 0.00 C ATOM 637 CG GLU A 87 -8.657 -9.131 0.846 1.00 0.00 C ATOM 638 CD GLU A 87 -8.501 -10.271 1.835 1.00 0.00 C ATOM 639 OE1 GLU A 87 -7.803 -10.100 2.856 1.00 0.00 O ATOM 640 OE2 GLU A 87 -9.078 -11.352 1.592 1.00 0.00 O ATOM 0 H GLU A 87 -9.133 -5.663 2.754 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.329 -7.876 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.762 -7.957 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.378 -7.118 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.450 -9.377 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.737 -9.029 0.270 1.00 0.00 H new ATOM 647 N ALA A 88 -6.837 -5.465 0.731 1.00 0.00 N ATOM 648 CA ALA A 88 -5.887 -4.901 -0.206 1.00 0.00 C ATOM 649 C ALA A 88 -4.551 -4.673 0.487 1.00 0.00 C ATOM 650 O ALA A 88 -3.508 -5.001 -0.054 1.00 0.00 O ATOM 651 CB ALA A 88 -6.417 -3.605 -0.806 1.00 0.00 C ATOM 0 H ALA A 88 -7.567 -4.818 1.030 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.741 -5.607 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.685 -3.202 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.351 -3.803 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.595 -2.882 -0.010 1.00 0.00 H new ATOM 657 N PHE A 89 -4.596 -4.125 1.699 1.00 0.00 N ATOM 658 CA PHE A 89 -3.396 -3.982 2.526 1.00 0.00 C ATOM 659 C PHE A 89 -2.722 -5.330 2.729 1.00 0.00 C ATOM 660 O PHE A 89 -1.503 -5.418 2.847 1.00 0.00 O ATOM 661 CB PHE A 89 -3.743 -3.360 3.885 1.00 0.00 C ATOM 662 CG PHE A 89 -3.807 -1.856 3.871 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.846 -1.207 3.225 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.840 -1.094 4.502 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.920 0.171 3.209 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.908 0.287 4.489 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.901 0.920 3.848 1.00 0.00 C ATOM 0 H PHE A 89 -5.449 -3.772 2.132 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.706 -3.319 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.704 -3.751 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.000 -3.675 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.609 -1.787 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.023 -1.583 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.742 0.671 2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.152 0.863 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.924 1.999 3.819 1.00 0.00 H new ATOM 677 N ARG A 90 -3.533 -6.372 2.772 1.00 0.00 N ATOM 678 CA ARG A 90 -3.049 -7.734 2.922 1.00 0.00 C ATOM 679 C ARG A 90 -2.465 -8.280 1.611 1.00 0.00 C ATOM 680 O ARG A 90 -1.482 -9.021 1.625 1.00 0.00 O ATOM 681 CB ARG A 90 -4.214 -8.600 3.399 1.00 0.00 C ATOM 682 CG ARG A 90 -3.885 -10.063 3.616 1.00 0.00 C ATOM 683 CD ARG A 90 -5.115 -10.798 4.110 1.00 0.00 C ATOM 684 NE ARG A 90 -4.913 -12.236 4.242 1.00 0.00 N ATOM 685 CZ ARG A 90 -5.897 -13.121 4.103 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.102 -12.715 3.707 1.00 0.00 N ATOM 687 NH2 ARG A 90 -5.676 -14.409 4.329 1.00 0.00 N ATOM 0 H ARG A 90 -4.548 -6.298 2.704 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.240 -7.751 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.594 -8.187 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.020 -8.530 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.534 -10.508 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.077 -10.160 4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.410 -10.389 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.940 -10.616 3.421 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.975 -12.579 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.269 -11.728 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.858 -13.391 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.748 -14.725 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.434 -15.083 4.221 1.00 0.00 H new ATOM 701 N VAL A 91 -3.064 -7.908 0.483 1.00 0.00 N ATOM 702 CA VAL A 91 -2.640 -8.434 -0.815 1.00 0.00 C ATOM 703 C VAL A 91 -1.497 -7.595 -1.401 1.00 0.00 C ATOM 704 O VAL A 91 -0.708 -8.079 -2.209 1.00 0.00 O ATOM 705 CB VAL A 91 -3.823 -8.499 -1.817 1.00 0.00 C ATOM 706 CG1 VAL A 91 -4.083 -7.152 -2.469 1.00 0.00 C ATOM 707 CG2 VAL A 91 -3.583 -9.568 -2.872 1.00 0.00 C ATOM 0 H VAL A 91 -3.840 -7.248 0.439 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.279 -9.449 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.714 -8.768 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.918 -7.239 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.324 -6.417 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.193 -6.832 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.426 -9.594 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.671 -9.338 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.480 -10.540 -2.389 1.00 0.00 H new ATOM 717 N PHE A 92 -1.431 -6.335 -0.993 1.00 0.00 N ATOM 718 CA PHE A 92 -0.370 -5.425 -1.419 1.00 0.00 C ATOM 719 C PHE A 92 0.804 -5.463 -0.449 1.00 0.00 C ATOM 720 O PHE A 92 1.663 -4.582 -0.455 1.00 0.00 O ATOM 721 CB PHE A 92 -0.893 -3.998 -1.580 1.00 0.00 C ATOM 722 CG PHE A 92 -1.817 -3.828 -2.754 1.00 0.00 C ATOM 723 CD1 PHE A 92 -1.405 -4.183 -4.028 1.00 0.00 C ATOM 724 CD2 PHE A 92 -3.091 -3.307 -2.588 1.00 0.00 C ATOM 725 CE1 PHE A 92 -2.248 -4.028 -5.113 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.938 -3.149 -3.668 1.00 0.00 C ATOM 727 CZ PHE A 92 -3.517 -3.509 -4.933 1.00 0.00 C ATOM 0 H PHE A 92 -2.109 -5.913 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.018 -5.764 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.417 -3.706 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.047 -3.320 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.414 -4.586 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.426 -3.021 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.916 -4.312 -6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.929 -2.744 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.177 -3.386 -5.779 1.00 0.00 H new ATOM 737 N ASP A 93 0.825 -6.490 0.384 1.00 0.00 N ATOM 738 CA ASP A 93 1.891 -6.674 1.353 1.00 0.00 C ATOM 739 C ASP A 93 2.408 -8.104 1.260 1.00 0.00 C ATOM 740 O ASP A 93 1.647 -9.044 1.038 1.00 0.00 O ATOM 741 CB ASP A 93 1.385 -6.382 2.770 1.00 0.00 C ATOM 742 CG ASP A 93 2.491 -6.345 3.820 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.540 -6.975 3.651 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.328 -5.708 4.862 1.00 0.00 O ATOM 0 H ASP A 93 0.108 -7.215 0.408 1.00 0.00 H new ATOM 0 HA ASP A 93 2.702 -5.979 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.864 -5.425 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.656 -7.142 3.050 1.00 0.00 H new ATOM 749 N LYS A 94 3.709 -8.247 1.444 1.00 0.00 N ATOM 750 CA LYS A 94 4.370 -9.540 1.401 1.00 0.00 C ATOM 751 C LYS A 94 3.947 -10.368 2.610 1.00 0.00 C ATOM 752 O LYS A 94 3.753 -11.581 2.525 1.00 0.00 O ATOM 753 CB LYS A 94 5.885 -9.336 1.445 1.00 0.00 C ATOM 754 CG LYS A 94 6.400 -8.326 0.435 1.00 0.00 C ATOM 755 CD LYS A 94 7.689 -7.652 0.900 1.00 0.00 C ATOM 756 CE LYS A 94 8.921 -8.544 0.773 1.00 0.00 C ATOM 757 NZ LYS A 94 8.924 -9.680 1.734 1.00 0.00 N ATOM 0 H LYS A 94 4.339 -7.466 1.628 1.00 0.00 H new ATOM 0 HA LYS A 94 4.091 -10.058 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.169 -9.011 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.376 -10.293 1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.576 -8.825 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.637 -7.567 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.846 -6.744 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.576 -7.348 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.975 -8.936 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.816 -7.941 0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.897 -9.863 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.330 -9.443 2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.547 -10.530 1.268 1.00 0.00 H new ATOM 771 N ASP A 95 3.799 -9.671 3.728 1.00 0.00 N ATOM 772 CA ASP A 95 3.548 -10.283 5.029 1.00 0.00 C ATOM 773 C ASP A 95 2.186 -9.887 5.594 1.00 0.00 C ATOM 774 O ASP A 95 1.809 -10.301 6.692 1.00 0.00 O ATOM 775 CB ASP A 95 4.643 -9.845 6.004 1.00 0.00 C ATOM 776 CG ASP A 95 4.836 -8.340 5.968 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.933 -7.602 6.376 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.929 -7.872 5.607 1.00 0.00 O ATOM 0 H ASP A 95 3.850 -8.653 3.759 1.00 0.00 H new ATOM 0 HA ASP A 95 3.553 -11.365 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.380 -10.157 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.580 -10.341 5.750 1.00 0.00 H new ATOM 783 N GLY A 96 1.447 -9.102 4.809 1.00 0.00 N ATOM 784 CA GLY A 96 0.175 -8.532 5.239 1.00 0.00 C ATOM 785 C GLY A 96 0.160 -7.966 6.654 1.00 0.00 C ATOM 786 O GLY A 96 -0.748 -8.283 7.418 1.00 0.00 O ATOM 0 H GLY A 96 1.715 -8.845 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.102 -7.738 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.593 -9.302 5.165 1.00 0.00 H new ATOM 790 N ASN A 97 1.129 -7.118 7.019 1.00 0.00 N ATOM 791 CA ASN A 97 1.169 -6.536 8.370 1.00 0.00 C ATOM 792 C ASN A 97 0.171 -5.386 8.543 1.00 0.00 C ATOM 793 O ASN A 97 0.325 -4.553 9.438 1.00 0.00 O ATOM 794 CB ASN A 97 2.594 -6.058 8.733 1.00 0.00 C ATOM 795 CG ASN A 97 3.114 -4.898 7.880 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.800 -5.105 6.873 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.808 -3.671 8.276 1.00 0.00 N ATOM 0 H ASN A 97 1.889 -6.821 6.407 1.00 0.00 H new ATOM 0 HA ASN A 97 0.877 -7.333 9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.606 -5.755 9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.281 -6.899 8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.141 -2.866 7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.240 -3.532 9.112 1.00 0.00 H new ATOM 804 N GLY A 98 -0.849 -5.350 7.697 1.00 0.00 N ATOM 805 CA GLY A 98 -1.889 -4.343 7.824 1.00 0.00 C ATOM 806 C GLY A 98 -1.448 -2.968 7.363 1.00 0.00 C ATOM 807 O GLY A 98 -2.045 -1.962 7.746 1.00 0.00 O ATOM 0 H GLY A 98 -0.977 -6.001 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.758 -4.652 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.205 -4.286 8.866 1.00 0.00 H new ATOM 811 N TYR A 99 -0.415 -2.930 6.532 1.00 0.00 N ATOM 812 CA TYR A 99 0.109 -1.678 6.001 1.00 0.00 C ATOM 813 C TYR A 99 0.759 -1.927 4.658 1.00 0.00 C ATOM 814 O TYR A 99 1.332 -2.989 4.428 1.00 0.00 O ATOM 815 CB TYR A 99 1.122 -1.021 6.946 1.00 0.00 C ATOM 816 CG TYR A 99 0.508 -0.341 8.143 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.198 0.846 8.004 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.637 -0.884 9.412 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.755 1.477 9.097 1.00 0.00 C ATOM 820 CE2 TYR A 99 0.083 -0.264 10.510 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.612 0.917 10.350 1.00 0.00 C ATOM 822 OH TYR A 99 -1.162 1.541 11.450 1.00 0.00 O ATOM 0 H TYR A 99 0.081 -3.760 6.208 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.732 -0.993 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.821 -1.781 7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.702 -0.288 6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.313 1.283 7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.181 -1.808 9.542 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.299 2.402 8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.192 -0.700 11.492 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.971 1.015 12.254 1.00 0.00 H new ATOM 832 N ILE A 100 0.675 -0.948 3.780 1.00 0.00 N ATOM 833 CA ILE A 100 1.198 -1.093 2.435 1.00 0.00 C ATOM 834 C ILE A 100 2.435 -0.223 2.242 1.00 0.00 C ATOM 835 O ILE A 100 2.343 0.996 2.116 1.00 0.00 O ATOM 836 CB ILE A 100 0.124 -0.735 1.384 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.081 -1.664 1.536 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.690 -0.830 -0.023 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.237 -1.323 0.623 1.00 0.00 C ATOM 0 H ILE A 100 0.249 -0.042 3.973 1.00 0.00 H new ATOM 0 HA ILE A 100 1.481 -2.136 2.296 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.195 0.294 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.765 -2.688 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.425 -1.630 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.085 -0.573 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.526 -0.138 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.036 -1.847 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.053 -2.027 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.582 -0.311 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.911 -1.385 -0.415 1.00 0.00 H new ATOM 851 N SER A 101 3.595 -0.847 2.255 1.00 0.00 N ATOM 852 CA SER A 101 4.830 -0.136 1.991 1.00 0.00 C ATOM 853 C SER A 101 5.273 -0.402 0.556 1.00 0.00 C ATOM 854 O SER A 101 4.793 -1.341 -0.067 1.00 0.00 O ATOM 855 CB SER A 101 5.923 -0.564 2.970 1.00 0.00 C ATOM 856 OG SER A 101 5.449 -0.563 4.307 1.00 0.00 O ATOM 0 H SER A 101 3.709 -1.843 2.445 1.00 0.00 H new ATOM 0 HA SER A 101 4.657 0.932 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.278 -1.561 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.775 0.110 2.884 1.00 0.00 H new ATOM 0 HG SER A 101 6.170 -0.842 4.910 1.00 0.00 H new ATOM 862 N ALA A 102 6.172 0.414 0.032 1.00 0.00 N ATOM 863 CA ALA A 102 6.624 0.259 -1.350 1.00 0.00 C ATOM 864 C ALA A 102 7.216 -1.127 -1.603 1.00 0.00 C ATOM 865 O ALA A 102 6.818 -1.817 -2.543 1.00 0.00 O ATOM 866 CB ALA A 102 7.629 1.331 -1.698 1.00 0.00 C ATOM 0 H ALA A 102 6.604 1.188 0.536 1.00 0.00 H new ATOM 0 HA ALA A 102 5.751 0.366 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.956 1.202 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.169 2.312 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.489 1.253 -1.033 1.00 0.00 H new ATOM 872 N ALA A 103 8.188 -1.514 -0.783 1.00 0.00 N ATOM 873 CA ALA A 103 8.773 -2.853 -0.854 1.00 0.00 C ATOM 874 C ALA A 103 7.700 -3.939 -0.848 1.00 0.00 C ATOM 875 O ALA A 103 7.785 -4.907 -1.609 1.00 0.00 O ATOM 876 CB ALA A 103 9.741 -3.063 0.300 1.00 0.00 C ATOM 0 H ALA A 103 8.590 -0.919 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 103 9.315 -2.930 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.170 -4.063 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.538 -2.322 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.209 -2.955 1.245 1.00 0.00 H new ATOM 882 N GLU A 104 6.689 -3.762 -0.003 1.00 0.00 N ATOM 883 CA GLU A 104 5.570 -4.695 0.060 1.00 0.00 C ATOM 884 C GLU A 104 4.837 -4.686 -1.274 1.00 0.00 C ATOM 885 O GLU A 104 4.579 -5.736 -1.855 1.00 0.00 O ATOM 886 CB GLU A 104 4.584 -4.298 1.160 1.00 0.00 C ATOM 887 CG GLU A 104 5.232 -3.742 2.426 1.00 0.00 C ATOM 888 CD GLU A 104 5.937 -4.782 3.275 1.00 0.00 C ATOM 889 OE1 GLU A 104 7.086 -5.144 2.953 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.345 -5.217 4.296 1.00 0.00 O ATOM 0 H GLU A 104 6.622 -2.980 0.648 1.00 0.00 H new ATOM 0 HA GLU A 104 5.963 -5.687 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.897 -3.551 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.987 -5.170 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.951 -2.972 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.465 -3.257 3.029 1.00 0.00 H new ATOM 897 N LEU A 105 4.588 -3.470 -1.775 1.00 0.00 N ATOM 898 CA LEU A 105 3.820 -3.251 -2.998 1.00 0.00 C ATOM 899 C LEU A 105 4.421 -4.018 -4.155 1.00 0.00 C ATOM 900 O LEU A 105 3.736 -4.734 -4.865 1.00 0.00 O ATOM 901 CB LEU A 105 3.801 -1.758 -3.355 1.00 0.00 C ATOM 902 CG LEU A 105 2.636 -0.961 -2.779 1.00 0.00 C ATOM 903 CD1 LEU A 105 2.914 0.533 -2.892 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.349 -1.325 -3.510 1.00 0.00 C ATOM 0 H LEU A 105 4.917 -2.609 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 105 2.804 -3.603 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.732 -1.308 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.783 -1.662 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 105 2.520 -1.209 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.075 1.092 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.821 0.777 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.045 0.800 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.520 -0.752 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.455 -1.093 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.151 -2.390 -3.390 1.00 0.00 H new ATOM 916 N ARG A 106 5.720 -3.890 -4.310 1.00 0.00 N ATOM 917 CA ARG A 106 6.383 -4.458 -5.462 1.00 0.00 C ATOM 918 C ARG A 106 6.601 -5.950 -5.299 1.00 0.00 C ATOM 919 O ARG A 106 6.171 -6.724 -6.144 1.00 0.00 O ATOM 920 CB ARG A 106 7.689 -3.738 -5.761 1.00 0.00 C ATOM 921 CG ARG A 106 7.464 -2.383 -6.409 1.00 0.00 C ATOM 922 CD ARG A 106 8.759 -1.776 -6.907 1.00 0.00 C ATOM 923 NE ARG A 106 8.524 -0.603 -7.747 1.00 0.00 N ATOM 924 CZ ARG A 106 9.362 -0.195 -8.697 1.00 0.00 C ATOM 925 NH1 ARG A 106 10.500 -0.848 -8.903 1.00 0.00 N ATOM 926 NH2 ARG A 106 9.068 0.861 -9.443 1.00 0.00 N ATOM 0 H ARG A 106 6.334 -3.402 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 106 5.725 -4.316 -6.319 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.250 -3.607 -4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.300 -4.356 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.769 -2.489 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.999 -1.709 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.379 -1.495 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.316 -2.523 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 106 7.669 -0.067 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.731 -1.662 -8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.143 -0.536 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.195 1.366 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.715 1.168 -10.169 1.00 0.00 H new ATOM 940 N HIS A 107 7.232 -6.347 -4.200 1.00 0.00 N ATOM 941 CA HIS A 107 7.568 -7.753 -3.954 1.00 0.00 C ATOM 942 C HIS A 107 6.342 -8.662 -4.076 1.00 0.00 C ATOM 943 O HIS A 107 6.425 -9.770 -4.595 1.00 0.00 O ATOM 944 CB HIS A 107 8.178 -7.910 -2.559 1.00 0.00 C ATOM 945 CG HIS A 107 9.642 -8.241 -2.546 1.00 0.00 C ATOM 946 ND1 HIS A 107 10.129 -9.466 -2.140 1.00 0.00 N ATOM 947 CD2 HIS A 107 10.729 -7.498 -2.863 1.00 0.00 C ATOM 948 CE1 HIS A 107 11.446 -9.459 -2.204 1.00 0.00 C ATOM 949 NE2 HIS A 107 11.838 -8.278 -2.640 1.00 0.00 N ATOM 0 H HIS A 107 7.525 -5.713 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 107 8.290 -8.053 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.024 -6.984 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 107 7.638 -8.694 -2.028 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.725 -6.480 -3.224 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.095 -10.282 -1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.806 -7.991 -2.788 1.00 0.00 H new ATOM 958 N VAL A 108 5.204 -8.181 -3.609 1.00 0.00 N ATOM 959 CA VAL A 108 4.007 -9.008 -3.613 1.00 0.00 C ATOM 960 C VAL A 108 3.288 -8.922 -4.963 1.00 0.00 C ATOM 961 O VAL A 108 2.890 -9.939 -5.533 1.00 0.00 O ATOM 962 CB VAL A 108 3.034 -8.673 -2.456 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.297 -7.366 -2.691 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.054 -9.816 -2.244 1.00 0.00 C ATOM 0 H VAL A 108 5.081 -7.242 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 108 4.342 -10.033 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 108 3.629 -8.545 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.626 -7.171 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.017 -6.552 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.718 -7.435 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.376 -9.567 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.480 -9.977 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.603 -10.724 -1.996 1.00 0.00 H new ATOM 974 N MET A 109 3.152 -7.702 -5.469 1.00 0.00 N ATOM 975 CA MET A 109 2.329 -7.432 -6.638 1.00 0.00 C ATOM 976 C MET A 109 2.984 -7.904 -7.938 1.00 0.00 C ATOM 977 O MET A 109 2.422 -8.749 -8.638 1.00 0.00 O ATOM 978 CB MET A 109 2.016 -5.933 -6.696 1.00 0.00 C ATOM 979 CG MET A 109 0.737 -5.576 -7.443 1.00 0.00 C ATOM 980 SD MET A 109 0.853 -5.838 -9.223 1.00 0.00 S ATOM 981 CE MET A 109 -0.802 -5.390 -9.740 1.00 0.00 C ATOM 0 H MET A 109 3.608 -6.876 -5.081 1.00 0.00 H new ATOM 0 HA MET A 109 1.404 -8.000 -6.540 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.944 -5.552 -5.677 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.852 -5.420 -7.170 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.085 -6.173 -7.048 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.493 -4.531 -7.252 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.888 -5.501 -10.821 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.525 -6.042 -9.250 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.002 -4.355 -9.464 1.00 0.00 H new ATOM 991 N THR A 110 4.160 -7.376 -8.280 1.00 0.00 N ATOM 992 CA THR A 110 4.774 -7.675 -9.574 1.00 0.00 C ATOM 993 C THR A 110 6.194 -8.238 -9.425 1.00 0.00 C ATOM 994 O THR A 110 6.609 -9.123 -10.178 1.00 0.00 O ATOM 995 CB THR A 110 4.848 -6.398 -10.435 1.00 0.00 C ATOM 996 OG1 THR A 110 3.574 -5.744 -10.457 1.00 0.00 O ATOM 997 CG2 THR A 110 5.281 -6.716 -11.857 1.00 0.00 C ATOM 0 H THR A 110 4.701 -6.747 -7.687 1.00 0.00 H new ATOM 0 HA THR A 110 4.148 -8.428 -10.053 1.00 0.00 H new ATOM 0 HB THR A 110 5.591 -5.737 -9.988 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.900 -6.326 -10.047 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.324 -5.795 -12.439 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.266 -7.182 -11.842 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.564 -7.400 -12.311 1.00 0.00 H new ATOM 1005 N ASN A 111 6.932 -7.714 -8.454 1.00 0.00 N ATOM 1006 CA ASN A 111 8.343 -8.051 -8.273 1.00 0.00 C ATOM 1007 C ASN A 111 8.495 -9.428 -7.615 1.00 0.00 C ATOM 1008 O ASN A 111 7.508 -10.141 -7.424 1.00 0.00 O ATOM 1009 CB ASN A 111 9.026 -6.960 -7.432 1.00 0.00 C ATOM 1010 CG ASN A 111 10.535 -6.921 -7.592 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.266 -7.589 -6.865 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.009 -6.124 -8.534 1.00 0.00 N ATOM 0 H ASN A 111 6.573 -7.046 -7.771 1.00 0.00 H new ATOM 0 HA ASN A 111 8.826 -8.099 -9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.615 -5.989 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.785 -7.120 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.016 -6.047 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.368 -5.586 -9.117 1.00 0.00 H new ATOM 1019 N LEU A 112 9.728 -9.802 -7.293 1.00 0.00 N ATOM 1020 CA LEU A 112 10.012 -11.078 -6.650 1.00 0.00 C ATOM 1021 C LEU A 112 9.247 -11.172 -5.340 1.00 0.00 C ATOM 1022 O LEU A 112 9.220 -10.213 -4.583 1.00 0.00 O ATOM 1023 CB LEU A 112 11.511 -11.197 -6.372 1.00 0.00 C ATOM 1024 CG LEU A 112 11.967 -12.537 -5.795 1.00 0.00 C ATOM 1025 CD1 LEU A 112 11.759 -13.650 -6.806 1.00 0.00 C ATOM 1026 CD2 LEU A 112 13.424 -12.466 -5.368 1.00 0.00 C ATOM 0 H LEU A 112 10.555 -9.232 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 112 9.702 -11.887 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.051 -11.019 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.799 -10.406 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 112 11.363 -12.756 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.089 -14.597 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.701 -13.716 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.337 -13.437 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.731 -13.429 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.045 -12.223 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.543 -11.695 -4.607 1.00 0.00 H new ATOM 1038 N GLY A 113 8.611 -12.307 -5.090 1.00 0.00 N ATOM 1039 CA GLY A 113 7.879 -12.481 -3.846 1.00 0.00 C ATOM 1040 C GLY A 113 8.785 -12.400 -2.631 1.00 0.00 C ATOM 1041 O GLY A 113 9.909 -12.941 -2.681 1.00 0.00 O ATOM 0 H GLY A 113 8.587 -13.108 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.105 -11.717 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.373 -13.446 -3.856 1.00 0.00 H new TER 1045 GLY A 113 HETATM 1046 CA CA A 200 2.701 7.385 5.649 1.00 0.00 CA HETATM 1047 CA CA A 300 4.185 -6.162 5.274 1.00 0.00 CA