USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 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 100 MET CE :methyl 137:sc= -5.84 (180deg=-7.17!) USER MOD Set 1.2: A 103 MET CE :methyl -175:sc= -2.9 (180deg=-2.01) USER MOD Set 2.1: A 92 CYS SG : rot 180:sc= -0.879 USER MOD Set 2.2: A 93 GLN :FLIP amide:sc= -2.15 F(o=-4.5,f=-3) USER MOD Set 3.1: A 46 CYS SG : rot -105:sc= 0.973! USER MOD Set 3.2: A 52 CYS SG : rot -111:sc= 1.52 USER MOD Set 3.3: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 21 THR OG1 : rot -150:sc= -0.0307 USER MOD Set 4.2: A 36 ASN : amide:sc= -0.0142 X(o=-0.045,f=0.2) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : A 37 ASN : amide:sc= 1.02 K(o=1,f=-0.11) USER MOD Single : A 49 THR OG1 : rot 12:sc= 0.696 USER MOD Single : A 53 SER OG : rot -63:sc= 0.0908 USER MOD Single : A 55 CYS SG : rot 84:sc= -2.34! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 75 ASN : amide:sc= -2.19 K(o=-2.2,f=-6.9!) USER MOD Single : A 77 MET CE :methyl -129:sc= -2.52! (180deg=-3.72) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 109:sc= -8.36! USER MOD Single : A 88 SER OG : rot 155:sc= -2.49! USER MOD Single : A 95 CYS SG : rot 28:sc= 0.0511 USER MOD Single : A 97 THR OG1 : rot 112:sc= -1.41! USER MOD Single : A 102 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.012) USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 9.749 15.108 -5.392 1.00 0.00 N ATOM 51 CA ASP A 5 8.346 14.732 -5.358 1.00 0.00 C ATOM 52 C ASP A 5 7.995 14.219 -3.960 1.00 0.00 C ATOM 53 O ASP A 5 8.867 13.749 -3.230 1.00 0.00 O ATOM 54 CB ASP A 5 8.050 13.614 -6.360 1.00 0.00 C ATOM 55 CG ASP A 5 8.100 14.034 -7.830 1.00 0.00 C ATOM 56 OD1 ASP A 5 9.160 13.983 -8.473 1.00 0.00 O ATOM 57 OD2 ASP A 5 6.976 14.431 -8.323 1.00 0.00 O ATOM 0 HA ASP A 5 7.755 15.611 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.766 12.807 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.061 13.208 -6.147 1.00 0.00 H new ATOM 63 N LYS A 6 6.716 14.327 -3.629 1.00 0.00 N ATOM 64 CA LYS A 6 6.239 13.880 -2.331 1.00 0.00 C ATOM 65 C LYS A 6 4.724 14.082 -2.253 1.00 0.00 C ATOM 66 O LYS A 6 4.244 15.214 -2.274 1.00 0.00 O ATOM 67 CB LYS A 6 7.012 14.574 -1.208 1.00 0.00 C ATOM 68 CG LYS A 6 6.224 15.763 -0.653 1.00 0.00 C ATOM 69 CD LYS A 6 6.957 16.404 0.526 1.00 0.00 C ATOM 70 CE LYS A 6 7.107 17.913 0.322 1.00 0.00 C ATOM 0 H LYS A 6 5.996 14.717 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 6 6.426 12.814 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.215 13.862 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.977 14.916 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.075 16.503 -1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.235 15.432 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.409 16.211 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.941 15.949 0.638 1.00 0.00 H new ATOM 84 N ILE A 7 4.015 12.967 -2.161 1.00 0.00 N ATOM 85 CA ILE A 7 2.565 13.007 -2.079 1.00 0.00 C ATOM 86 C ILE A 7 2.127 12.595 -0.672 1.00 0.00 C ATOM 87 O ILE A 7 2.962 12.353 0.196 1.00 0.00 O ATOM 88 CB ILE A 7 1.941 12.161 -3.190 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.931 10.678 -2.811 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.644 12.405 -4.527 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.048 9.874 -3.765 1.00 0.00 C ATOM 0 H ILE A 7 4.418 12.030 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 7 2.202 14.022 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 7 0.903 12.470 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.948 10.286 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.568 10.563 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.180 11.791 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.555 13.457 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.698 12.141 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.059 8.824 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.027 10.252 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.428 9.972 -4.782 1.00 0.00 H new ATOM 103 N THR A 8 0.815 12.529 -0.491 1.00 0.00 N ATOM 104 CA THR A 8 0.255 12.150 0.795 1.00 0.00 C ATOM 105 C THR A 8 -0.437 10.790 0.696 1.00 0.00 C ATOM 106 O THR A 8 -1.224 10.556 -0.220 1.00 0.00 O ATOM 107 CB THR A 8 -0.674 13.274 1.255 1.00 0.00 C ATOM 108 OG1 THR A 8 0.149 14.437 1.237 1.00 0.00 O ATOM 109 CG2 THR A 8 -1.084 13.131 2.722 1.00 0.00 C ATOM 0 H THR A 8 0.124 12.732 -1.214 1.00 0.00 H new ATOM 0 HA THR A 8 1.036 12.027 1.546 1.00 0.00 H new ATOM 0 HB THR A 8 -1.565 13.286 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.376 15.214 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.743 13.954 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.607 12.185 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.195 13.152 3.352 1.00 0.00 H new ATOM 117 N VAL A 9 -0.119 9.928 1.651 1.00 0.00 N ATOM 118 CA VAL A 9 -0.702 8.597 1.683 1.00 0.00 C ATOM 119 C VAL A 9 -1.255 8.320 3.082 1.00 0.00 C ATOM 120 O VAL A 9 -0.622 8.656 4.081 1.00 0.00 O ATOM 121 CB VAL A 9 0.332 7.563 1.234 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.290 6.168 1.147 1.00 0.00 C ATOM 123 CG2 VAL A 9 0.965 7.964 -0.100 1.00 0.00 C ATOM 0 H VAL A 9 0.535 10.125 2.408 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.536 8.529 0.985 1.00 0.00 H new ATOM 0 HB VAL A 9 1.122 7.532 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.466 5.452 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.672 5.878 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.108 6.179 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.696 7.212 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.190 8.037 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.460 8.929 0.008 1.00 0.00 H new ATOM 133 N HIS A 10 -2.431 7.712 3.109 1.00 0.00 N ATOM 134 CA HIS A 10 -3.078 7.387 4.369 1.00 0.00 C ATOM 135 C HIS A 10 -3.204 5.867 4.503 1.00 0.00 C ATOM 136 O HIS A 10 -3.433 5.170 3.516 1.00 0.00 O ATOM 137 CB HIS A 10 -4.422 8.107 4.492 1.00 0.00 C ATOM 138 CG HIS A 10 -4.310 9.612 4.545 1.00 0.00 C ATOM 139 ND1 HIS A 10 -3.981 10.298 5.701 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.485 10.553 3.574 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.963 11.594 5.426 1.00 0.00 C ATOM 0 H HIS A 10 -2.954 7.435 2.278 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.466 7.741 5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.050 7.829 3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.928 7.759 5.392 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.786 9.878 6.610 1.00 0.00 H new ATOM 150 N PHE A 11 -3.050 5.399 5.733 1.00 0.00 N ATOM 151 CA PHE A 11 -3.143 3.976 6.009 1.00 0.00 C ATOM 152 C PHE A 11 -4.050 3.710 7.213 1.00 0.00 C ATOM 153 O PHE A 11 -3.804 4.220 8.305 1.00 0.00 O ATOM 154 CB PHE A 11 -1.730 3.489 6.333 1.00 0.00 C ATOM 155 CG PHE A 11 -0.773 3.520 5.140 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.329 4.711 4.654 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.365 2.358 4.565 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.559 4.740 3.547 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.523 2.386 3.457 1.00 0.00 C ATOM 160 CZ PHE A 11 0.967 3.577 2.972 1.00 0.00 C ATOM 0 H PHE A 11 -2.861 5.980 6.550 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.564 3.457 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.318 4.106 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.787 2.469 6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.652 5.635 5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.716 1.413 4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.911 5.686 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.846 1.462 3.000 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.643 3.599 2.130 1.00 0.00 H new ATOM 170 N ILE A 12 -5.080 2.911 6.973 1.00 0.00 N ATOM 171 CA ILE A 12 -6.024 2.572 8.023 1.00 0.00 C ATOM 172 C ILE A 12 -5.543 1.313 8.747 1.00 0.00 C ATOM 173 O ILE A 12 -5.734 0.200 8.258 1.00 0.00 O ATOM 174 CB ILE A 12 -7.439 2.452 7.455 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.766 3.636 6.543 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.468 2.288 8.573 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.918 3.299 5.595 1.00 0.00 C ATOM 0 H ILE A 12 -5.281 2.489 6.066 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.071 3.369 8.765 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.485 1.552 6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.031 4.503 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.883 3.908 5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.465 2.205 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.244 1.387 9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.430 3.155 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.129 4.159 4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.641 2.447 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.806 3.051 6.176 1.00 0.00 H new ATOM 189 N ASN A 13 -4.929 1.530 9.901 1.00 0.00 N ATOM 190 CA ASN A 13 -4.420 0.426 10.697 1.00 0.00 C ATOM 191 C ASN A 13 -5.479 -0.675 10.772 1.00 0.00 C ATOM 192 O ASN A 13 -6.624 -0.468 10.371 1.00 0.00 O ATOM 193 CB ASN A 13 -4.104 0.876 12.125 1.00 0.00 C ATOM 194 CG ASN A 13 -2.936 0.077 12.706 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.154 -0.534 11.996 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.862 0.116 14.033 1.00 0.00 N ATOM 0 H ASN A 13 -4.773 2.454 10.304 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.508 0.062 10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.860 1.938 12.130 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.985 0.748 12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.117 -0.385 14.517 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.550 0.647 14.567 1.00 0.00 H new ATOM 203 N ARG A 14 -5.061 -1.821 11.288 1.00 0.00 N ATOM 204 CA ARG A 14 -5.959 -2.955 11.420 1.00 0.00 C ATOM 205 C ARG A 14 -6.983 -2.695 12.528 1.00 0.00 C ATOM 206 O ARG A 14 -8.064 -3.281 12.528 1.00 0.00 O ATOM 207 CB ARG A 14 -5.187 -4.236 11.740 1.00 0.00 C ATOM 208 CG ARG A 14 -3.933 -4.353 10.870 1.00 0.00 C ATOM 209 CD ARG A 14 -3.334 -5.758 10.957 1.00 0.00 C ATOM 210 NE ARG A 14 -4.280 -6.748 10.396 1.00 0.00 N ATOM 211 CZ ARG A 14 -4.245 -8.069 10.669 1.00 0.00 C ATOM 212 NH1 ARG A 14 -3.308 -8.571 11.501 1.00 0.00 N ATOM 213 NH2 ARG A 14 -5.140 -8.863 10.111 1.00 0.00 N ATOM 0 H ARG A 14 -4.111 -1.989 11.620 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.473 -3.083 10.467 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.905 -4.241 12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.829 -5.102 11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.182 -4.124 9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.194 -3.618 11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.391 -5.794 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.111 -6.004 11.995 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.005 -6.410 9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.620 -7.951 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.288 -9.571 11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.845 -8.476 9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.127 -9.864 10.307 1.00 0.00 H new ATOM 226 N ASP A 15 -6.606 -1.814 13.442 1.00 0.00 N ATOM 227 CA ASP A 15 -7.477 -1.469 14.552 1.00 0.00 C ATOM 228 C ASP A 15 -8.506 -0.438 14.086 1.00 0.00 C ATOM 229 O ASP A 15 -9.610 -0.370 14.624 1.00 0.00 O ATOM 230 CB ASP A 15 -6.682 -0.856 15.707 1.00 0.00 C ATOM 231 CG ASP A 15 -6.628 -1.705 16.978 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.599 -2.393 17.329 1.00 0.00 O ATOM 233 OD2 ASP A 15 -5.516 -1.642 17.629 1.00 0.00 O ATOM 0 H ASP A 15 -5.709 -1.329 13.437 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.964 -2.382 14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.663 -0.671 15.368 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.117 0.113 15.954 1.00 0.00 H new ATOM 239 N GLY A 16 -8.106 0.341 13.091 1.00 0.00 N ATOM 240 CA GLY A 16 -8.980 1.367 12.547 1.00 0.00 C ATOM 241 C GLY A 16 -8.316 2.743 12.612 1.00 0.00 C ATOM 242 O GLY A 16 -8.923 3.748 12.243 1.00 0.00 O ATOM 0 H GLY A 16 -7.189 0.282 12.648 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.228 1.128 11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.917 1.385 13.104 1.00 0.00 H new ATOM 246 N GLU A 17 -7.078 2.747 13.085 1.00 0.00 N ATOM 247 CA GLU A 17 -6.326 3.984 13.203 1.00 0.00 C ATOM 248 C GLU A 17 -5.793 4.415 11.835 1.00 0.00 C ATOM 249 O GLU A 17 -5.103 3.649 11.164 1.00 0.00 O ATOM 250 CB GLU A 17 -5.186 3.838 14.214 1.00 0.00 C ATOM 251 CG GLU A 17 -5.604 4.359 15.590 1.00 0.00 C ATOM 252 CD GLU A 17 -5.530 5.887 15.643 1.00 0.00 C ATOM 253 OE1 GLU A 17 -4.428 6.456 15.622 1.00 0.00 O ATOM 254 OE2 GLU A 17 -6.670 6.486 15.707 1.00 0.00 O ATOM 0 H GLU A 17 -6.577 1.913 13.391 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.997 4.760 13.570 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.895 2.790 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.312 4.387 13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.620 4.032 15.813 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.956 3.933 16.356 1.00 0.00 H new ATOM 262 N THR A 18 -6.135 5.639 11.461 1.00 0.00 N ATOM 263 CA THR A 18 -5.700 6.181 10.185 1.00 0.00 C ATOM 264 C THR A 18 -4.316 6.819 10.321 1.00 0.00 C ATOM 265 O THR A 18 -4.138 7.771 11.080 1.00 0.00 O ATOM 266 CB THR A 18 -6.773 7.155 9.695 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.838 6.312 9.267 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.353 7.899 8.426 1.00 0.00 C ATOM 0 H THR A 18 -6.709 6.271 12.019 1.00 0.00 H new ATOM 0 HA THR A 18 -5.589 5.395 9.438 1.00 0.00 H new ATOM 0 HB THR A 18 -6.995 7.876 10.482 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.578 6.862 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.150 8.577 8.121 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.446 8.470 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.163 7.180 7.629 1.00 0.00 H new ATOM 276 N LEU A 19 -3.370 6.269 9.573 1.00 0.00 N ATOM 277 CA LEU A 19 -2.008 6.772 9.601 1.00 0.00 C ATOM 278 C LEU A 19 -1.781 7.683 8.393 1.00 0.00 C ATOM 279 O LEU A 19 -2.378 7.481 7.337 1.00 0.00 O ATOM 280 CB LEU A 19 -1.011 5.615 9.692 1.00 0.00 C ATOM 281 CG LEU A 19 -0.932 4.903 11.044 1.00 0.00 C ATOM 282 CD1 LEU A 19 -2.054 3.873 11.188 1.00 0.00 C ATOM 283 CD2 LEU A 19 0.449 4.279 11.255 1.00 0.00 C ATOM 0 H LEU A 19 -3.521 5.480 8.944 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.844 7.376 10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.268 4.879 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.020 5.995 9.445 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.074 5.645 11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.975 3.382 12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.019 4.374 11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.969 3.129 10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.478 3.779 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.645 3.553 10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.209 5.060 11.226 1.00 0.00 H new ATOM 295 N THR A 20 -0.917 8.669 8.589 1.00 0.00 N ATOM 296 CA THR A 20 -0.605 9.614 7.530 1.00 0.00 C ATOM 297 C THR A 20 0.890 9.575 7.206 1.00 0.00 C ATOM 298 O THR A 20 1.725 9.637 8.107 1.00 0.00 O ATOM 299 CB THR A 20 -1.098 10.994 7.967 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.465 10.783 8.311 1.00 0.00 O ATOM 301 CG2 THR A 20 -1.156 11.989 6.805 1.00 0.00 C ATOM 0 H THR A 20 -0.423 8.834 9.466 1.00 0.00 H new ATOM 0 HA THR A 20 -1.113 9.352 6.602 1.00 0.00 H new ATOM 0 HB THR A 20 -0.443 11.383 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.862 11.629 8.607 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.512 12.953 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.160 12.108 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.837 11.616 6.040 1.00 0.00 H new ATOM 309 N THR A 21 1.181 9.476 5.917 1.00 0.00 N ATOM 310 CA THR A 21 2.561 9.430 5.464 1.00 0.00 C ATOM 311 C THR A 21 2.654 9.851 3.996 1.00 0.00 C ATOM 312 O THR A 21 1.836 9.439 3.175 1.00 0.00 O ATOM 313 CB THR A 21 3.099 8.023 5.727 1.00 0.00 C ATOM 314 OG1 THR A 21 4.514 8.172 5.657 1.00 0.00 O ATOM 315 CG2 THR A 21 2.770 7.048 4.594 1.00 0.00 C ATOM 0 H THR A 21 0.485 9.426 5.173 1.00 0.00 H new ATOM 0 HA THR A 21 3.181 10.138 6.013 1.00 0.00 H new ATOM 0 HB THR A 21 2.684 7.646 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.916 7.336 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.175 6.064 4.832 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.689 6.977 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.212 7.408 3.665 1.00 0.00 H new ATOM 323 N LYS A 22 3.658 10.667 3.709 1.00 0.00 N ATOM 324 CA LYS A 22 3.868 11.148 2.355 1.00 0.00 C ATOM 325 C LYS A 22 4.583 10.067 1.540 1.00 0.00 C ATOM 326 O LYS A 22 5.366 9.291 2.084 1.00 0.00 O ATOM 327 CB LYS A 22 4.600 12.491 2.371 1.00 0.00 C ATOM 328 CG LYS A 22 3.811 13.537 3.161 1.00 0.00 C ATOM 329 CD LYS A 22 4.489 14.906 3.089 1.00 0.00 C ATOM 330 CE LYS A 22 3.647 15.972 3.792 1.00 0.00 C ATOM 0 H LYS A 22 4.335 11.007 4.392 1.00 0.00 H new ATOM 0 HA LYS A 22 2.913 11.338 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.588 12.365 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.750 12.839 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.798 13.608 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.726 13.224 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.475 14.853 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.641 15.186 2.047 1.00 0.00 H new ATOM 344 N GLY A 23 4.288 10.054 0.248 1.00 0.00 N ATOM 345 CA GLY A 23 4.891 9.082 -0.647 1.00 0.00 C ATOM 346 C GLY A 23 5.554 9.774 -1.841 1.00 0.00 C ATOM 347 O GLY A 23 5.010 10.733 -2.387 1.00 0.00 O ATOM 0 H GLY A 23 3.639 10.701 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.632 8.494 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.130 8.387 -1.001 1.00 0.00 H new ATOM 351 N LYS A 24 6.716 9.259 -2.212 1.00 0.00 N ATOM 352 CA LYS A 24 7.458 9.815 -3.331 1.00 0.00 C ATOM 353 C LYS A 24 7.091 9.057 -4.607 1.00 0.00 C ATOM 354 O LYS A 24 7.734 8.066 -4.952 1.00 0.00 O ATOM 355 CB LYS A 24 8.958 9.822 -3.029 1.00 0.00 C ATOM 356 CG LYS A 24 9.750 10.408 -4.200 1.00 0.00 C ATOM 357 CD LYS A 24 11.127 10.892 -3.742 1.00 0.00 C ATOM 358 CE LYS A 24 12.222 9.913 -4.169 1.00 0.00 C ATOM 0 H LYS A 24 7.163 8.462 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 24 7.184 10.858 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.149 10.405 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.297 8.806 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.866 9.654 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.196 11.238 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.329 11.876 -4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.136 11.002 -2.658 1.00 0.00 H new ATOM 372 N ILE A 25 6.058 9.550 -5.275 1.00 0.00 N ATOM 373 CA ILE A 25 5.597 8.931 -6.506 1.00 0.00 C ATOM 374 C ILE A 25 6.749 8.149 -7.140 1.00 0.00 C ATOM 375 O ILE A 25 7.583 8.723 -7.839 1.00 0.00 O ATOM 376 CB ILE A 25 4.981 9.979 -7.434 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.057 9.530 -8.896 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.627 11.349 -7.221 1.00 0.00 C ATOM 379 CD1 ILE A 25 3.941 10.168 -9.724 1.00 0.00 C ATOM 0 H ILE A 25 5.527 10.372 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 25 4.801 8.216 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 25 3.925 10.079 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.026 9.803 -9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.980 8.444 -8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.170 12.075 -7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.477 11.666 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.695 11.284 -7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.018 9.833 -10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.973 9.874 -9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.035 11.253 -9.687 1.00 0.00 H new ATOM 391 N GLY A 26 6.759 6.851 -6.875 1.00 0.00 N ATOM 392 CA GLY A 26 7.794 5.985 -7.410 1.00 0.00 C ATOM 393 C GLY A 26 8.439 5.150 -6.303 1.00 0.00 C ATOM 394 O GLY A 26 8.898 4.035 -6.548 1.00 0.00 O ATOM 0 H GLY A 26 6.065 6.378 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.366 5.325 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.555 6.587 -7.907 1.00 0.00 H new ATOM 398 N ASP A 27 8.452 5.720 -5.107 1.00 0.00 N ATOM 399 CA ASP A 27 9.032 5.043 -3.960 1.00 0.00 C ATOM 400 C ASP A 27 8.151 3.854 -3.577 1.00 0.00 C ATOM 401 O ASP A 27 6.966 3.822 -3.905 1.00 0.00 O ATOM 402 CB ASP A 27 9.117 5.978 -2.752 1.00 0.00 C ATOM 403 CG ASP A 27 9.702 5.349 -1.487 1.00 0.00 C ATOM 404 OD1 ASP A 27 10.923 5.367 -1.269 1.00 0.00 O ATOM 405 OD2 ASP A 27 8.837 4.814 -0.693 1.00 0.00 O ATOM 0 H ASP A 27 8.070 6.644 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 27 10.035 4.717 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.723 6.843 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.117 6.347 -2.527 1.00 0.00 H new ATOM 411 N SER A 28 8.763 2.903 -2.885 1.00 0.00 N ATOM 412 CA SER A 28 8.047 1.714 -2.453 1.00 0.00 C ATOM 413 C SER A 28 7.132 2.053 -1.274 1.00 0.00 C ATOM 414 O SER A 28 7.580 2.106 -0.131 1.00 0.00 O ATOM 415 CB SER A 28 9.019 0.597 -2.065 1.00 0.00 C ATOM 416 OG SER A 28 8.666 -0.648 -2.662 1.00 0.00 O ATOM 0 H SER A 28 9.746 2.932 -2.613 1.00 0.00 H new ATOM 0 HA SER A 28 7.440 1.359 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.028 0.872 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.032 0.488 -0.981 1.00 0.00 H new ATOM 0 HG SER A 28 9.311 -1.335 -2.392 1.00 0.00 H new ATOM 422 N LEU A 29 5.866 2.274 -1.596 1.00 0.00 N ATOM 423 CA LEU A 29 4.883 2.607 -0.579 1.00 0.00 C ATOM 424 C LEU A 29 5.055 1.668 0.617 1.00 0.00 C ATOM 425 O LEU A 29 4.707 2.021 1.743 1.00 0.00 O ATOM 426 CB LEU A 29 3.472 2.594 -1.171 1.00 0.00 C ATOM 427 CG LEU A 29 2.973 1.243 -1.686 1.00 0.00 C ATOM 428 CD1 LEU A 29 3.875 0.714 -2.803 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.831 0.238 -0.540 1.00 0.00 C ATOM 0 H LEU A 29 5.498 2.229 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 29 5.042 3.622 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.777 2.950 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.438 3.309 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 29 1.981 1.386 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.497 -0.248 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.882 1.422 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.889 0.590 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.475 -0.714 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.799 0.093 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.118 0.618 0.191 1.00 0.00 H new ATOM 441 N LEU A 30 5.594 0.492 0.332 1.00 0.00 N ATOM 442 CA LEU A 30 5.816 -0.500 1.371 1.00 0.00 C ATOM 443 C LEU A 30 6.847 0.035 2.367 1.00 0.00 C ATOM 444 O LEU A 30 6.675 -0.104 3.578 1.00 0.00 O ATOM 445 CB LEU A 30 6.200 -1.846 0.753 1.00 0.00 C ATOM 446 CG LEU A 30 5.834 -3.088 1.568 1.00 0.00 C ATOM 447 CD1 LEU A 30 4.728 -3.889 0.880 1.00 0.00 C ATOM 448 CD2 LEU A 30 7.071 -3.943 1.850 1.00 0.00 C ATOM 0 H LEU A 30 5.883 0.204 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 30 4.897 -0.681 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.723 -1.924 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.277 -1.851 0.584 1.00 0.00 H new ATOM 0 HG LEU A 30 5.442 -2.761 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.487 -4.766 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.840 -3.266 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.068 -4.206 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.783 -4.819 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.515 -4.262 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.797 -3.357 2.413 1.00 0.00 H new ATOM 460 N ASP A 31 7.895 0.634 1.823 1.00 0.00 N ATOM 461 CA ASP A 31 8.952 1.190 2.650 1.00 0.00 C ATOM 462 C ASP A 31 8.435 2.444 3.357 1.00 0.00 C ATOM 463 O ASP A 31 8.745 2.675 4.525 1.00 0.00 O ATOM 464 CB ASP A 31 10.162 1.591 1.801 1.00 0.00 C ATOM 465 CG ASP A 31 10.920 0.424 1.165 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.679 -0.748 1.490 1.00 0.00 O ATOM 467 OD2 ASP A 31 11.804 0.762 0.288 1.00 0.00 O ATOM 0 H ASP A 31 8.035 0.747 0.819 1.00 0.00 H new ATOM 0 HA ASP A 31 9.252 0.429 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.826 2.261 1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.854 2.157 2.425 1.00 0.00 H new ATOM 473 N VAL A 32 7.656 3.222 2.619 1.00 0.00 N ATOM 474 CA VAL A 32 7.092 4.446 3.162 1.00 0.00 C ATOM 475 C VAL A 32 6.674 4.211 4.615 1.00 0.00 C ATOM 476 O VAL A 32 6.783 5.107 5.449 1.00 0.00 O ATOM 477 CB VAL A 32 5.940 4.929 2.278 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.163 6.058 2.958 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.449 5.362 0.902 1.00 0.00 C ATOM 0 H VAL A 32 7.402 3.028 1.650 1.00 0.00 H new ATOM 0 HA VAL A 32 7.837 5.241 3.164 1.00 0.00 H new ATOM 0 HB VAL A 32 5.256 4.093 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.350 6.383 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.752 5.700 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.832 6.897 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.610 5.701 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.165 6.176 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.935 4.518 0.412 1.00 0.00 H new ATOM 489 N VAL A 33 6.202 2.999 4.872 1.00 0.00 N ATOM 490 CA VAL A 33 5.767 2.634 6.209 1.00 0.00 C ATOM 491 C VAL A 33 6.955 2.721 7.169 1.00 0.00 C ATOM 492 O VAL A 33 7.032 3.639 7.986 1.00 0.00 O ATOM 493 CB VAL A 33 5.115 1.250 6.188 1.00 0.00 C ATOM 494 CG1 VAL A 33 4.798 0.772 7.606 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.858 1.249 5.315 1.00 0.00 C ATOM 0 H VAL A 33 6.112 2.258 4.177 1.00 0.00 H new ATOM 0 HA VAL A 33 5.008 3.330 6.567 1.00 0.00 H new ATOM 0 HB VAL A 33 5.827 0.551 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.335 -0.214 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.720 0.715 8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.113 1.474 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.414 0.253 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.140 1.967 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.123 1.525 4.295 1.00 0.00 H new ATOM 505 N VAL A 34 7.851 1.754 7.040 1.00 0.00 N ATOM 506 CA VAL A 34 9.031 1.710 7.886 1.00 0.00 C ATOM 507 C VAL A 34 9.734 3.068 7.846 1.00 0.00 C ATOM 508 O VAL A 34 10.179 3.571 8.877 1.00 0.00 O ATOM 509 CB VAL A 34 9.940 0.555 7.457 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.383 0.801 7.900 1.00 0.00 C ATOM 511 CG2 VAL A 34 9.419 -0.779 7.997 1.00 0.00 C ATOM 0 H VAL A 34 7.783 0.995 6.362 1.00 0.00 H new ATOM 0 HA VAL A 34 8.750 1.519 8.922 1.00 0.00 H new ATOM 0 HB VAL A 34 9.929 0.504 6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.008 -0.034 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.751 1.722 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.420 0.890 8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.082 -1.584 7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.388 -0.744 9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.416 -0.961 7.611 1.00 0.00 H new ATOM 521 N GLN A 35 9.810 3.624 6.646 1.00 0.00 N ATOM 522 CA GLN A 35 10.450 4.915 6.458 1.00 0.00 C ATOM 523 C GLN A 35 9.887 5.936 7.448 1.00 0.00 C ATOM 524 O GLN A 35 10.641 6.675 8.079 1.00 0.00 O ATOM 525 CB GLN A 35 10.290 5.402 5.017 1.00 0.00 C ATOM 526 CG GLN A 35 11.250 4.668 4.080 1.00 0.00 C ATOM 527 CD GLN A 35 12.015 5.654 3.195 1.00 0.00 C ATOM 528 OE1 GLN A 35 11.447 6.387 2.403 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.333 5.631 3.374 1.00 0.00 N ATOM 0 H GLN A 35 9.439 3.204 5.794 1.00 0.00 H new ATOM 0 HA GLN A 35 11.517 4.801 6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.263 5.244 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.478 6.475 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.955 4.077 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.692 3.971 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.744 4.992 4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.932 6.252 2.831 1.00 0.00 H new ATOM 538 N ASN A 36 8.567 5.944 7.554 1.00 0.00 N ATOM 539 CA ASN A 36 7.894 6.862 8.457 1.00 0.00 C ATOM 540 C ASN A 36 7.664 6.170 9.802 1.00 0.00 C ATOM 541 O ASN A 36 6.763 6.546 10.551 1.00 0.00 O ATOM 542 CB ASN A 36 6.531 7.281 7.902 1.00 0.00 C ATOM 543 CG ASN A 36 6.204 8.726 8.282 1.00 0.00 C ATOM 544 OD1 ASN A 36 5.772 9.022 9.384 1.00 0.00 O ATOM 545 ND2 ASN A 36 6.433 9.606 7.312 1.00 0.00 N ATOM 0 H ASN A 36 7.945 5.329 7.029 1.00 0.00 H new ATOM 0 HA ASN A 36 8.523 7.745 8.571 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.529 7.177 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.758 6.616 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.246 10.597 7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.796 9.290 6.412 1.00 0.00 H new ATOM 552 N ASN A 37 8.493 5.172 10.068 1.00 0.00 N ATOM 553 CA ASN A 37 8.392 4.426 11.310 1.00 0.00 C ATOM 554 C ASN A 37 6.917 4.169 11.627 1.00 0.00 C ATOM 555 O ASN A 37 6.526 4.141 12.793 1.00 0.00 O ATOM 556 CB ASN A 37 8.997 5.210 12.476 1.00 0.00 C ATOM 557 CG ASN A 37 9.619 4.267 13.508 1.00 0.00 C ATOM 558 OD1 ASN A 37 10.827 4.141 13.623 1.00 0.00 O ATOM 559 ND2 ASN A 37 8.729 3.613 14.248 1.00 0.00 N ATOM 0 H ASN A 37 9.238 4.862 9.444 1.00 0.00 H new ATOM 0 HA ASN A 37 8.936 3.490 11.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.756 5.897 12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.225 5.816 12.951 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.044 2.959 14.964 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.731 3.766 14.099 1.00 0.00 H new ATOM 566 N LEU A 38 6.140 3.990 10.570 1.00 0.00 N ATOM 567 CA LEU A 38 4.717 3.738 10.721 1.00 0.00 C ATOM 568 C LEU A 38 4.500 2.729 11.851 1.00 0.00 C ATOM 569 O LEU A 38 5.365 1.897 12.120 1.00 0.00 O ATOM 570 CB LEU A 38 4.104 3.308 9.387 1.00 0.00 C ATOM 571 CG LEU A 38 2.997 4.209 8.835 1.00 0.00 C ATOM 572 CD1 LEU A 38 3.503 5.640 8.637 1.00 0.00 C ATOM 573 CD2 LEU A 38 2.405 3.627 7.551 1.00 0.00 C ATOM 0 H LEU A 38 6.469 4.014 9.605 1.00 0.00 H new ATOM 0 HA LEU A 38 4.196 4.653 11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.901 3.250 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.702 2.301 9.502 1.00 0.00 H new ATOM 0 HG LEU A 38 2.192 4.251 9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.697 6.260 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.838 6.043 9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.335 5.638 7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.621 4.287 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.188 3.535 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.984 2.643 7.758 1.00 0.00 H new ATOM 585 N ASP A 39 3.340 2.837 12.481 1.00 0.00 N ATOM 586 CA ASP A 39 2.997 1.944 13.576 1.00 0.00 C ATOM 587 C ASP A 39 1.978 0.912 13.088 1.00 0.00 C ATOM 588 O ASP A 39 0.793 1.010 13.399 1.00 0.00 O ATOM 589 CB ASP A 39 2.369 2.714 14.739 1.00 0.00 C ATOM 590 CG ASP A 39 2.563 2.076 16.116 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.581 2.300 16.786 1.00 0.00 O ATOM 592 OD2 ASP A 39 1.599 1.310 16.502 1.00 0.00 O ATOM 0 H ASP A 39 2.625 3.529 12.255 1.00 0.00 H new ATOM 0 HA ASP A 39 3.913 1.461 13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.789 3.720 14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.300 2.819 14.551 1.00 0.00 H new ATOM 598 N ILE A 40 2.479 -0.054 12.331 1.00 0.00 N ATOM 599 CA ILE A 40 1.627 -1.103 11.796 1.00 0.00 C ATOM 600 C ILE A 40 2.364 -2.441 11.877 1.00 0.00 C ATOM 601 O ILE A 40 2.588 -3.093 10.858 1.00 0.00 O ATOM 602 CB ILE A 40 1.157 -0.743 10.386 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.702 0.715 10.313 1.00 0.00 C ATOM 604 CG2 ILE A 40 0.068 -1.707 9.909 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.515 1.161 8.862 1.00 0.00 C ATOM 0 H ILE A 40 3.463 -0.132 12.076 1.00 0.00 H new ATOM 0 HA ILE A 40 0.720 -1.201 12.393 1.00 0.00 H new ATOM 0 HB ILE A 40 2.003 -0.849 9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.235 0.835 10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.438 1.354 10.801 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.249 -1.429 8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.461 -2.723 9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.785 -1.656 10.586 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.191 2.202 8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.460 1.063 8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.239 0.536 8.384 1.00 0.00 H new ATOM 657 N GLY A 44 4.683 -6.279 6.043 1.00 0.00 N ATOM 658 CA GLY A 44 5.296 -7.343 5.266 1.00 0.00 C ATOM 659 C GLY A 44 6.372 -8.067 6.079 1.00 0.00 C ATOM 660 O GLY A 44 6.105 -8.545 7.181 1.00 0.00 O ATOM 0 HA2 GLY A 44 4.533 -8.055 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.738 -6.928 4.360 1.00 0.00 H new ATOM 664 N ALA A 45 7.564 -8.123 5.505 1.00 0.00 N ATOM 665 CA ALA A 45 8.681 -8.781 6.163 1.00 0.00 C ATOM 666 C ALA A 45 9.782 -9.054 5.137 1.00 0.00 C ATOM 667 O ALA A 45 11.014 -9.048 5.392 1.00 0.00 O ATOM 668 CB ALA A 45 8.190 -10.059 6.845 1.00 0.00 C ATOM 0 H ALA A 45 7.782 -7.724 4.592 1.00 0.00 H new ATOM 0 HA ALA A 45 9.103 -8.140 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.027 -10.553 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.430 -9.808 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.763 -10.729 6.099 1.00 0.00 H new ATOM 674 N CYS A 46 9.354 -9.307 3.909 1.00 0.00 N ATOM 675 CA CYS A 46 10.230 -9.592 2.785 1.00 0.00 C ATOM 676 C CYS A 46 10.613 -8.359 1.991 1.00 0.00 C ATOM 677 O CYS A 46 11.161 -8.529 0.903 1.00 0.00 O ATOM 678 CB CYS A 46 9.661 -10.670 1.872 1.00 0.00 C ATOM 679 SG CYS A 46 8.357 -10.202 0.713 1.00 0.00 S ATOM 0 H CYS A 46 8.364 -9.320 3.662 1.00 0.00 H new ATOM 0 HA CYS A 46 11.149 -9.975 3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.486 -11.088 1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.275 -11.471 2.502 1.00 0.00 H new ATOM 0 HG CYS A 46 7.213 -10.643 1.145 1.00 0.00 H new ATOM 684 N GLU A 47 10.320 -7.174 2.507 1.00 0.00 N ATOM 685 CA GLU A 47 10.638 -5.948 1.796 1.00 0.00 C ATOM 686 C GLU A 47 9.740 -5.801 0.565 1.00 0.00 C ATOM 687 O GLU A 47 9.915 -4.876 -0.227 1.00 0.00 O ATOM 688 CB GLU A 47 12.116 -5.910 1.403 1.00 0.00 C ATOM 689 CG GLU A 47 12.658 -4.479 1.447 1.00 0.00 C ATOM 690 CD GLU A 47 13.215 -4.147 2.833 1.00 0.00 C ATOM 691 OE1 GLU A 47 13.507 -5.060 3.620 1.00 0.00 O ATOM 692 OE2 GLU A 47 13.343 -2.888 3.082 1.00 0.00 O ATOM 0 H GLU A 47 9.865 -7.037 3.410 1.00 0.00 H new ATOM 0 HA GLU A 47 10.451 -5.106 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.692 -6.542 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.240 -6.319 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.441 -4.360 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.864 -3.777 1.192 1.00 0.00 H new ATOM 700 N GLY A 48 8.800 -6.726 0.444 1.00 0.00 N ATOM 701 CA GLY A 48 7.875 -6.711 -0.676 1.00 0.00 C ATOM 702 C GLY A 48 8.491 -7.381 -1.906 1.00 0.00 C ATOM 703 O GLY A 48 9.170 -6.729 -2.699 1.00 0.00 O ATOM 0 H GLY A 48 8.659 -7.491 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.955 -7.226 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.605 -5.682 -0.915 1.00 0.00 H new ATOM 707 N THR A 49 8.233 -8.675 -2.027 1.00 0.00 N ATOM 708 CA THR A 49 8.754 -9.441 -3.146 1.00 0.00 C ATOM 709 C THR A 49 8.095 -10.820 -3.202 1.00 0.00 C ATOM 710 O THR A 49 8.656 -11.759 -3.764 1.00 0.00 O ATOM 711 CB THR A 49 10.277 -9.500 -3.011 1.00 0.00 C ATOM 712 OG1 THR A 49 10.726 -8.286 -3.605 1.00 0.00 O ATOM 713 CG2 THR A 49 10.900 -10.594 -3.880 1.00 0.00 C ATOM 0 H THR A 49 7.670 -9.212 -1.368 1.00 0.00 H new ATOM 0 HA THR A 49 8.516 -8.963 -4.096 1.00 0.00 H new ATOM 0 HB THR A 49 10.542 -9.671 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.961 -7.693 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.982 -10.593 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.499 -11.564 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.663 -10.406 -4.927 1.00 0.00 H new ATOM 721 N LEU A 50 6.911 -10.899 -2.610 1.00 0.00 N ATOM 722 CA LEU A 50 6.170 -12.148 -2.585 1.00 0.00 C ATOM 723 C LEU A 50 7.020 -13.229 -1.912 1.00 0.00 C ATOM 724 O LEU A 50 7.695 -14.002 -2.588 1.00 0.00 O ATOM 725 CB LEU A 50 5.702 -12.522 -3.993 1.00 0.00 C ATOM 726 CG LEU A 50 4.823 -11.492 -4.703 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.202 -12.082 -5.971 1.00 0.00 C ATOM 728 CD2 LEU A 50 3.763 -10.929 -3.755 1.00 0.00 C ATOM 0 H LEU A 50 6.448 -10.118 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 50 5.263 -12.040 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.582 -12.706 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.152 -13.461 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 50 5.455 -10.659 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.582 -11.329 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.993 -12.395 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.588 -12.943 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.152 -10.199 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.130 -11.740 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.251 -10.447 -2.908 1.00 0.00 H new ATOM 740 N ALA A 51 6.957 -13.246 -0.589 1.00 0.00 N ATOM 741 CA ALA A 51 7.713 -14.217 0.183 1.00 0.00 C ATOM 742 C ALA A 51 7.239 -14.187 1.638 1.00 0.00 C ATOM 743 O ALA A 51 7.114 -15.231 2.276 1.00 0.00 O ATOM 744 CB ALA A 51 9.208 -13.925 0.051 1.00 0.00 C ATOM 0 H ALA A 51 6.394 -12.603 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 51 7.544 -15.224 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.774 -14.654 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.500 -13.989 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.417 -12.923 0.425 1.00 0.00 H new ATOM 750 N CYS A 52 6.990 -12.978 2.120 1.00 0.00 N ATOM 751 CA CYS A 52 6.533 -12.798 3.488 1.00 0.00 C ATOM 752 C CYS A 52 5.066 -13.225 3.564 1.00 0.00 C ATOM 753 O CYS A 52 4.677 -13.960 4.471 1.00 0.00 O ATOM 754 CB CYS A 52 6.735 -11.358 3.966 1.00 0.00 C ATOM 755 SG CYS A 52 5.933 -10.194 2.802 1.00 0.00 S ATOM 0 H CYS A 52 7.096 -12.114 1.588 1.00 0.00 H new ATOM 0 HA CYS A 52 7.126 -13.420 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.314 -11.235 4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.800 -11.136 4.039 1.00 0.00 H new ATOM 0 HG CYS A 52 6.844 -9.518 2.167 1.00 0.00 H new ATOM 761 N SER A 53 4.293 -12.746 2.602 1.00 0.00 N ATOM 762 CA SER A 53 2.877 -13.069 2.548 1.00 0.00 C ATOM 763 C SER A 53 2.166 -12.513 3.784 1.00 0.00 C ATOM 764 O SER A 53 1.628 -13.271 4.589 1.00 0.00 O ATOM 765 CB SER A 53 2.661 -14.581 2.448 1.00 0.00 C ATOM 766 OG SER A 53 1.284 -14.914 2.294 1.00 0.00 O ATOM 0 H SER A 53 4.620 -12.136 1.853 1.00 0.00 H new ATOM 0 HA SER A 53 2.455 -12.608 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.226 -14.973 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.053 -15.063 3.344 1.00 0.00 H new ATOM 0 HG SER A 53 0.787 -14.626 3.088 1.00 0.00 H new ATOM 772 N THR A 54 2.188 -11.192 3.896 1.00 0.00 N ATOM 773 CA THR A 54 1.554 -10.526 5.019 1.00 0.00 C ATOM 774 C THR A 54 1.228 -9.074 4.664 1.00 0.00 C ATOM 775 O THR A 54 0.144 -8.583 4.977 1.00 0.00 O ATOM 776 CB THR A 54 2.476 -10.661 6.232 1.00 0.00 C ATOM 777 OG1 THR A 54 3.778 -10.781 5.667 1.00 0.00 O ATOM 778 CG2 THR A 54 2.272 -11.981 6.979 1.00 0.00 C ATOM 0 H THR A 54 2.636 -10.566 3.226 1.00 0.00 H new ATOM 0 HA THR A 54 0.599 -10.990 5.265 1.00 0.00 H new ATOM 0 HB THR A 54 2.303 -9.828 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.439 -10.871 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.951 -12.026 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.243 -12.044 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.477 -12.815 6.307 1.00 0.00 H new ATOM 786 N CYS A 55 2.184 -8.428 4.014 1.00 0.00 N ATOM 787 CA CYS A 55 2.013 -7.043 3.611 1.00 0.00 C ATOM 788 C CYS A 55 0.848 -6.970 2.622 1.00 0.00 C ATOM 789 O CYS A 55 0.794 -7.741 1.665 1.00 0.00 O ATOM 790 CB CYS A 55 3.299 -6.461 3.022 1.00 0.00 C ATOM 791 SG CYS A 55 3.623 -4.807 3.735 1.00 0.00 S ATOM 0 H CYS A 55 3.081 -8.839 3.756 1.00 0.00 H new ATOM 0 HA CYS A 55 1.784 -6.434 4.486 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.137 -7.126 3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.211 -6.388 1.938 1.00 0.00 H new ATOM 0 HG CYS A 55 4.236 -4.938 4.874 1.00 0.00 H new ATOM 797 N HIS A 56 -0.054 -6.038 2.886 1.00 0.00 N ATOM 798 CA HIS A 56 -1.214 -5.854 2.031 1.00 0.00 C ATOM 799 C HIS A 56 -1.956 -4.580 2.438 1.00 0.00 C ATOM 800 O HIS A 56 -2.084 -4.284 3.625 1.00 0.00 O ATOM 801 CB HIS A 56 -2.109 -7.095 2.057 1.00 0.00 C ATOM 802 CG HIS A 56 -3.217 -7.074 1.031 1.00 0.00 C ATOM 803 ND1 HIS A 56 -4.085 -6.006 0.887 1.00 0.00 N ATOM 804 CD2 HIS A 56 -3.590 -8.001 0.102 1.00 0.00 C ATOM 805 CE1 HIS A 56 -4.937 -6.288 -0.087 1.00 0.00 C ATOM 0 H HIS A 56 -0.005 -5.401 3.681 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.892 -5.730 0.997 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.492 -7.979 1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.549 -7.193 3.050 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.071 -5.147 1.437 1.00 0.00 H new ATOM 814 N LEU A 57 -2.425 -3.860 1.430 1.00 0.00 N ATOM 815 CA LEU A 57 -3.152 -2.623 1.668 1.00 0.00 C ATOM 816 C LEU A 57 -4.377 -2.572 0.754 1.00 0.00 C ATOM 817 O LEU A 57 -4.315 -3.000 -0.399 1.00 0.00 O ATOM 818 CB LEU A 57 -2.222 -1.418 1.517 1.00 0.00 C ATOM 819 CG LEU A 57 -1.406 -1.041 2.756 1.00 0.00 C ATOM 820 CD1 LEU A 57 -2.304 -0.927 3.989 1.00 0.00 C ATOM 821 CD2 LEU A 57 -0.254 -2.023 2.974 1.00 0.00 C ATOM 0 H LEU A 57 -2.316 -4.109 0.447 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.518 -2.588 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.531 -1.618 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.821 -0.556 1.225 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.963 -0.059 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.700 -0.658 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.058 -0.158 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.795 -1.883 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.309 -1.732 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.654 -3.028 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.404 -2.010 2.105 1.00 0.00 H new ATOM 833 N ILE A 58 -5.463 -2.046 1.301 1.00 0.00 N ATOM 834 CA ILE A 58 -6.701 -1.934 0.549 1.00 0.00 C ATOM 835 C ILE A 58 -6.789 -0.540 -0.077 1.00 0.00 C ATOM 836 O ILE A 58 -6.864 0.460 0.636 1.00 0.00 O ATOM 837 CB ILE A 58 -7.899 -2.288 1.432 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.532 -3.378 2.442 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.111 -2.676 0.583 1.00 0.00 C ATOM 840 CD1 ILE A 58 -7.352 -4.730 1.747 1.00 0.00 C ATOM 0 H ILE A 58 -5.511 -1.693 2.257 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.715 -2.653 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.177 -1.402 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.612 -3.105 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.312 -3.455 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.948 -2.923 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.387 -1.841 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.863 -3.541 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.092 -5.487 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.281 -5.011 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.555 -4.656 1.008 1.00 0.00 H new ATOM 852 N PHE A 59 -6.775 -0.519 -1.401 1.00 0.00 N ATOM 853 CA PHE A 59 -6.852 0.736 -2.130 1.00 0.00 C ATOM 854 C PHE A 59 -8.307 1.164 -2.332 1.00 0.00 C ATOM 855 O PHE A 59 -9.103 0.420 -2.904 1.00 0.00 O ATOM 856 CB PHE A 59 -6.208 0.499 -3.497 1.00 0.00 C ATOM 857 CG PHE A 59 -4.722 0.142 -3.430 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.338 -1.107 -3.054 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.783 1.075 -3.748 1.00 0.00 C ATOM 860 CE1 PHE A 59 -2.959 -1.438 -2.992 1.00 0.00 C ATOM 861 CE2 PHE A 59 -2.404 0.743 -3.687 1.00 0.00 C ATOM 862 CZ PHE A 59 -2.021 -0.506 -3.310 1.00 0.00 C ATOM 0 H PHE A 59 -6.712 -1.350 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.344 1.523 -1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.742 -0.304 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.329 1.396 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.083 -1.848 -2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.087 2.067 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.655 -2.430 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.659 1.483 -3.940 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.972 -0.758 -3.263 1.00 0.00 H new ATOM 872 N GLU A 60 -8.611 2.361 -1.853 1.00 0.00 N ATOM 873 CA GLU A 60 -9.956 2.897 -1.973 1.00 0.00 C ATOM 874 C GLU A 60 -10.595 2.434 -3.285 1.00 0.00 C ATOM 875 O GLU A 60 -9.900 2.210 -4.274 1.00 0.00 O ATOM 876 CB GLU A 60 -9.949 4.424 -1.877 1.00 0.00 C ATOM 877 CG GLU A 60 -9.778 4.880 -0.427 1.00 0.00 C ATOM 878 CD GLU A 60 -10.078 6.373 -0.283 1.00 0.00 C ATOM 879 OE1 GLU A 60 -11.008 6.751 0.446 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.305 7.153 -0.960 1.00 0.00 O ATOM 0 H GLU A 60 -7.948 2.976 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.553 2.517 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.140 4.827 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.880 4.822 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.444 4.308 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.760 4.676 -0.096 1.00 0.00 H new ATOM 888 N GLN A 61 -11.914 2.303 -3.248 1.00 0.00 N ATOM 889 CA GLN A 61 -12.655 1.870 -4.422 1.00 0.00 C ATOM 890 C GLN A 61 -12.554 2.920 -5.530 1.00 0.00 C ATOM 891 O GLN A 61 -13.504 3.662 -5.775 1.00 0.00 O ATOM 892 CB GLN A 61 -14.116 1.581 -4.071 1.00 0.00 C ATOM 893 CG GLN A 61 -14.831 2.854 -3.610 1.00 0.00 C ATOM 894 CD GLN A 61 -15.924 2.528 -2.589 1.00 0.00 C ATOM 895 OE1 GLN A 61 -15.735 2.622 -1.388 1.00 0.00 O ATOM 896 NE2 GLN A 61 -17.075 2.143 -3.133 1.00 0.00 N ATOM 0 H GLN A 61 -12.488 2.489 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.213 0.943 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.627 1.167 -4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.163 0.828 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.109 3.542 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.270 3.361 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -17.166 2.086 -4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.867 1.905 -2.536 1.00 0.00 H new ATOM 905 N HIS A 62 -11.395 2.949 -6.171 1.00 0.00 N ATOM 906 CA HIS A 62 -11.158 3.896 -7.246 1.00 0.00 C ATOM 907 C HIS A 62 -9.688 3.838 -7.666 1.00 0.00 C ATOM 908 O HIS A 62 -9.367 4.015 -8.841 1.00 0.00 O ATOM 909 CB HIS A 62 -11.604 5.302 -6.842 1.00 0.00 C ATOM 910 CG HIS A 62 -12.655 5.898 -7.748 1.00 0.00 C ATOM 911 ND1 HIS A 62 -12.349 6.495 -8.958 1.00 0.00 N ATOM 912 CD2 HIS A 62 -14.009 5.982 -7.608 1.00 0.00 C ATOM 913 CE1 HIS A 62 -13.476 6.916 -9.514 1.00 0.00 C ATOM 0 H HIS A 62 -10.610 2.331 -5.966 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.759 3.624 -8.113 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.992 5.270 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.734 5.959 -6.831 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -11.415 6.594 -9.355 1.00 0.00 H new ATOM 922 N ILE A 63 -8.834 3.591 -6.684 1.00 0.00 N ATOM 923 CA ILE A 63 -7.406 3.508 -6.936 1.00 0.00 C ATOM 924 C ILE A 63 -7.060 2.101 -7.428 1.00 0.00 C ATOM 925 O ILE A 63 -6.302 1.942 -8.383 1.00 0.00 O ATOM 926 CB ILE A 63 -6.617 3.938 -5.698 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.208 5.209 -5.085 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.130 4.097 -6.023 1.00 0.00 C ATOM 929 CD1 ILE A 63 -7.252 6.343 -6.110 1.00 0.00 C ATOM 0 H ILE A 63 -9.104 3.446 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.118 4.202 -7.726 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.701 3.150 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.214 5.006 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.611 5.514 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.592 4.403 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.732 3.147 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.006 4.855 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.676 7.235 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.241 6.560 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.870 6.044 -6.957 1.00 0.00 H new ATOM 941 N PHE A 64 -7.633 1.115 -6.753 1.00 0.00 N ATOM 942 CA PHE A 64 -7.394 -0.273 -7.108 1.00 0.00 C ATOM 943 C PHE A 64 -7.667 -0.513 -8.595 1.00 0.00 C ATOM 944 O PHE A 64 -7.022 -1.353 -9.220 1.00 0.00 O ATOM 945 CB PHE A 64 -8.366 -1.120 -6.282 1.00 0.00 C ATOM 946 CG PHE A 64 -8.586 -2.529 -6.833 1.00 0.00 C ATOM 947 CD1 PHE A 64 -9.502 -2.739 -7.816 1.00 0.00 C ATOM 948 CD2 PHE A 64 -7.866 -3.572 -6.341 1.00 0.00 C ATOM 949 CE1 PHE A 64 -9.707 -4.048 -8.328 1.00 0.00 C ATOM 950 CE2 PHE A 64 -8.070 -4.881 -6.852 1.00 0.00 C ATOM 951 CZ PHE A 64 -8.987 -5.092 -7.835 1.00 0.00 C ATOM 0 H PHE A 64 -8.262 1.250 -5.962 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.355 -0.534 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.990 -1.195 -5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.326 -0.607 -6.231 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.074 -1.910 -8.207 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.138 -3.405 -5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.434 -4.215 -9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.498 -5.709 -6.461 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.143 -6.087 -8.224 1.00 0.00 H new ATOM 961 N GLU A 65 -8.622 0.242 -9.118 1.00 0.00 N ATOM 962 CA GLU A 65 -8.986 0.123 -10.519 1.00 0.00 C ATOM 963 C GLU A 65 -7.962 0.844 -11.397 1.00 0.00 C ATOM 964 O GLU A 65 -8.047 0.795 -12.624 1.00 0.00 O ATOM 965 CB GLU A 65 -10.398 0.661 -10.767 1.00 0.00 C ATOM 966 CG GLU A 65 -10.521 2.112 -10.295 1.00 0.00 C ATOM 967 CD GLU A 65 -11.735 2.792 -10.929 1.00 0.00 C ATOM 968 OE1 GLU A 65 -12.708 3.105 -10.227 1.00 0.00 O ATOM 969 OE2 GLU A 65 -11.643 2.997 -12.200 1.00 0.00 O ATOM 0 H GLU A 65 -9.155 0.938 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.984 -0.934 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.634 0.599 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.125 0.041 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.610 2.139 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.616 2.661 -10.554 1.00 0.00 H new ATOM 977 N LYS A 66 -7.019 1.497 -10.735 1.00 0.00 N ATOM 978 CA LYS A 66 -5.979 2.228 -11.441 1.00 0.00 C ATOM 979 C LYS A 66 -4.672 1.436 -11.378 1.00 0.00 C ATOM 980 O LYS A 66 -3.797 1.607 -12.225 1.00 0.00 O ATOM 981 CB LYS A 66 -5.862 3.653 -10.896 1.00 0.00 C ATOM 982 CG LYS A 66 -4.938 3.699 -9.678 1.00 0.00 C ATOM 983 CD LYS A 66 -3.756 4.639 -9.920 1.00 0.00 C ATOM 984 CE LYS A 66 -2.477 3.848 -10.206 1.00 0.00 C ATOM 0 H LYS A 66 -6.953 1.536 -9.718 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.237 2.335 -12.495 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.478 4.313 -11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.850 4.024 -10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.499 4.032 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.571 2.697 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.976 5.298 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.607 5.275 -9.047 1.00 0.00 H new ATOM 998 N LEU A 67 -4.581 0.586 -10.366 1.00 0.00 N ATOM 999 CA LEU A 67 -3.395 -0.233 -10.181 1.00 0.00 C ATOM 1000 C LEU A 67 -3.230 -1.163 -11.385 1.00 0.00 C ATOM 1001 O LEU A 67 -4.198 -1.455 -12.086 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.455 -0.968 -8.840 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.669 -0.092 -7.605 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.994 -0.946 -6.377 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.464 0.821 -7.365 1.00 0.00 C ATOM 0 H LEU A 67 -5.309 0.447 -9.665 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.503 0.392 -10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.261 -1.701 -8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.526 -1.523 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.530 0.551 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.142 -0.299 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.903 -1.518 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.169 -1.631 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.642 1.433 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.572 0.214 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.319 1.467 -8.231 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.997 -1.603 -11.588 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.693 -2.494 -12.695 1.00 0.00 C ATOM 1019 C GLU A 68 -2.300 -3.876 -12.446 1.00 0.00 C ATOM 1020 O GLU A 68 -2.599 -4.231 -11.307 1.00 0.00 O ATOM 1021 CB GLU A 68 -0.182 -2.591 -12.921 1.00 0.00 C ATOM 1022 CG GLU A 68 0.448 -1.200 -13.011 1.00 0.00 C ATOM 1023 CD GLU A 68 -0.064 -0.443 -14.237 1.00 0.00 C ATOM 1024 OE1 GLU A 68 0.571 -0.486 -15.302 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -1.163 0.207 -14.057 1.00 0.00 O ATOM 0 H GLU A 68 -1.197 -1.359 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.137 -2.082 -13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.276 -3.150 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.018 -3.145 -13.838 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.218 -0.634 -12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.533 -1.291 -13.063 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.462 -4.619 -13.531 1.00 0.00 N ATOM 1034 CA ALA A 69 -3.028 -5.955 -13.445 1.00 0.00 C ATOM 1035 C ALA A 69 -2.048 -6.873 -12.713 1.00 0.00 C ATOM 1036 O ALA A 69 -0.875 -6.949 -13.074 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.362 -6.459 -14.850 1.00 0.00 C ATOM 0 H ALA A 69 -2.211 -4.322 -14.474 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.957 -5.943 -12.874 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.786 -7.461 -14.786 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.084 -5.788 -15.315 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.454 -6.488 -15.452 1.00 0.00 H new ATOM 1043 N ILE A 70 -2.565 -7.549 -11.697 1.00 0.00 N ATOM 1044 CA ILE A 70 -1.750 -8.459 -10.911 1.00 0.00 C ATOM 1045 C ILE A 70 -1.585 -9.775 -11.671 1.00 0.00 C ATOM 1046 O ILE A 70 -2.362 -10.074 -12.578 1.00 0.00 O ATOM 1047 CB ILE A 70 -2.337 -8.629 -9.508 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -1.231 -8.676 -8.452 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -3.247 -9.857 -9.441 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -1.486 -7.652 -7.345 1.00 0.00 C ATOM 0 H ILE A 70 -3.539 -7.484 -11.400 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.751 -8.047 -10.766 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.954 -7.758 -9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.176 -9.676 -8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.267 -8.478 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.651 -9.956 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.066 -9.742 -10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.673 -10.749 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.685 -7.706 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.516 -6.651 -7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.439 -7.868 -6.862 1.00 0.00 H new ATOM 1062 N THR A 71 -0.568 -10.527 -11.276 1.00 0.00 N ATOM 1063 CA THR A 71 -0.291 -11.805 -11.911 1.00 0.00 C ATOM 1064 C THR A 71 -0.791 -12.955 -11.034 1.00 0.00 C ATOM 1065 O THR A 71 -1.331 -12.726 -9.952 1.00 0.00 O ATOM 1066 CB THR A 71 1.209 -11.872 -12.204 1.00 0.00 C ATOM 1067 OG1 THR A 71 1.815 -11.310 -11.043 1.00 0.00 O ATOM 1068 CG2 THR A 71 1.627 -10.931 -13.335 1.00 0.00 C ATOM 0 H THR A 71 0.074 -10.276 -10.524 1.00 0.00 H new ATOM 0 HA THR A 71 -0.826 -11.902 -12.856 1.00 0.00 H new ATOM 0 HB THR A 71 1.483 -12.895 -12.463 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.789 -11.316 -11.147 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.701 -11.018 -13.502 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.095 -11.200 -14.247 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.384 -9.904 -13.062 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.593 -14.166 -11.533 1.00 0.00 N ATOM 1077 CA ASP A 72 -1.017 -15.352 -10.808 1.00 0.00 C ATOM 1078 C ASP A 72 -0.229 -15.454 -9.500 1.00 0.00 C ATOM 1079 O ASP A 72 -0.813 -15.448 -8.418 1.00 0.00 O ATOM 1080 CB ASP A 72 -0.750 -16.620 -11.622 1.00 0.00 C ATOM 1081 CG ASP A 72 0.574 -16.627 -12.391 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.762 -15.858 -13.346 1.00 0.00 O ATOM 1083 OD2 ASP A 72 1.446 -17.478 -11.968 1.00 0.00 O ATOM 0 H ASP A 72 -0.145 -14.352 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.086 -15.266 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.766 -17.477 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.566 -16.757 -12.332 1.00 0.00 H new ATOM 1089 N GLU A 73 1.084 -15.546 -9.644 1.00 0.00 N ATOM 1090 CA GLU A 73 1.958 -15.649 -8.488 1.00 0.00 C ATOM 1091 C GLU A 73 1.545 -14.637 -7.417 1.00 0.00 C ATOM 1092 O GLU A 73 1.357 -14.997 -6.256 1.00 0.00 O ATOM 1093 CB GLU A 73 3.423 -15.457 -8.888 1.00 0.00 C ATOM 1094 CG GLU A 73 4.254 -14.965 -7.701 1.00 0.00 C ATOM 1095 CD GLU A 73 5.746 -14.957 -8.044 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.203 -14.090 -8.804 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.438 -15.893 -7.488 1.00 0.00 O ATOM 0 H GLU A 73 1.564 -15.551 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 73 1.858 -16.651 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.830 -16.399 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.490 -14.740 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.936 -13.961 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.079 -15.607 -6.838 1.00 0.00 H new ATOM 1105 N GLU A 74 1.413 -13.391 -7.847 1.00 0.00 N ATOM 1106 CA GLU A 74 1.025 -12.323 -6.940 1.00 0.00 C ATOM 1107 C GLU A 74 -0.400 -12.551 -6.432 1.00 0.00 C ATOM 1108 O GLU A 74 -0.691 -12.310 -5.261 1.00 0.00 O ATOM 1109 CB GLU A 74 1.155 -10.957 -7.614 1.00 0.00 C ATOM 1110 CG GLU A 74 1.010 -9.826 -6.593 1.00 0.00 C ATOM 1111 CD GLU A 74 1.517 -8.501 -7.168 1.00 0.00 C ATOM 1112 OE1 GLU A 74 2.298 -8.501 -8.131 1.00 0.00 O ATOM 1113 OE2 GLU A 74 1.072 -7.445 -6.576 1.00 0.00 O ATOM 0 H GLU A 74 1.568 -13.097 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 74 1.701 -12.335 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.123 -10.883 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.393 -10.855 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.036 -9.725 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.569 -10.072 -5.690 1.00 0.00 H new ATOM 1121 N ASN A 75 -1.250 -13.013 -7.337 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.638 -13.276 -6.995 1.00 0.00 C ATOM 1123 C ASN A 75 -2.692 -14.169 -5.754 1.00 0.00 C ATOM 1124 O ASN A 75 -3.524 -13.961 -4.872 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.357 -14.003 -8.133 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.861 -14.087 -7.866 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.487 -13.152 -7.395 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.404 -15.257 -8.191 1.00 0.00 N ATOM 0 H ASN A 75 -1.005 -13.212 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.128 -12.320 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.180 -13.480 -9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.947 -15.007 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.402 -15.413 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.822 -15.998 -8.581 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.794 -15.143 -5.725 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.730 -16.068 -4.606 1.00 0.00 C ATOM 1137 C ASP A 76 -1.470 -15.287 -3.318 1.00 0.00 C ATOM 1138 O ASP A 76 -2.190 -15.447 -2.333 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.591 -17.073 -4.788 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.203 -17.846 -3.526 1.00 0.00 C ATOM 1141 OD1 ASP A 76 0.584 -17.363 -2.698 1.00 0.00 O ATOM 1142 OD2 ASP A 76 -0.753 -19.007 -3.408 1.00 0.00 O ATOM 0 H ASP A 76 -1.105 -15.312 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.679 -16.602 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.877 -17.787 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.287 -16.542 -5.155 1.00 0.00 H new ATOM 1148 N MET A 77 -0.439 -14.456 -3.365 1.00 0.00 N ATOM 1149 CA MET A 77 -0.075 -13.648 -2.213 1.00 0.00 C ATOM 1150 C MET A 77 -1.203 -12.684 -1.841 1.00 0.00 C ATOM 1151 O MET A 77 -1.205 -12.117 -0.749 1.00 0.00 O ATOM 1152 CB MET A 77 1.194 -12.853 -2.528 1.00 0.00 C ATOM 1153 CG MET A 77 2.123 -12.801 -1.314 1.00 0.00 C ATOM 1154 SD MET A 77 2.622 -14.453 -0.856 1.00 0.00 S ATOM 1155 CE MET A 77 3.813 -14.786 -2.143 1.00 0.00 C ATOM 0 H MET A 77 0.156 -14.325 -4.183 1.00 0.00 H new ATOM 0 HA MET A 77 0.102 -14.313 -1.368 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.714 -13.310 -3.370 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.927 -11.840 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.001 -12.197 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.615 -12.320 -0.478 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.583 -15.742 -2.613 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.771 -13.995 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.813 -14.825 -1.712 1.00 0.00 H new ATOM 1165 N LEU A 78 -2.135 -12.527 -2.770 1.00 0.00 N ATOM 1166 CA LEU A 78 -3.266 -11.641 -2.553 1.00 0.00 C ATOM 1167 C LEU A 78 -4.488 -12.471 -2.151 1.00 0.00 C ATOM 1168 O LEU A 78 -5.389 -11.969 -1.480 1.00 0.00 O ATOM 1169 CB LEU A 78 -3.499 -10.759 -3.781 1.00 0.00 C ATOM 1170 CG LEU A 78 -4.959 -10.521 -4.169 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -5.160 -9.103 -4.706 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -5.444 -11.583 -5.159 1.00 0.00 C ATOM 0 H LEU A 78 -2.130 -12.998 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.061 -10.955 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.029 -9.792 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.987 -11.211 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.570 -10.615 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.207 -8.961 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.880 -8.381 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.536 -8.956 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.485 -11.390 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.833 -11.546 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.360 -12.570 -4.704 1.00 0.00 H new ATOM 1184 N ASP A 79 -4.479 -13.725 -2.578 1.00 0.00 N ATOM 1185 CA ASP A 79 -5.575 -14.628 -2.272 1.00 0.00 C ATOM 1186 C ASP A 79 -5.555 -14.957 -0.778 1.00 0.00 C ATOM 1187 O ASP A 79 -6.554 -14.772 -0.084 1.00 0.00 O ATOM 1188 CB ASP A 79 -5.442 -15.940 -3.048 1.00 0.00 C ATOM 1189 CG ASP A 79 -5.225 -17.183 -2.183 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -6.030 -17.488 -1.290 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -4.164 -17.861 -2.462 1.00 0.00 O ATOM 0 H ASP A 79 -3.730 -14.137 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.506 -14.137 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.342 -16.084 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.608 -15.850 -3.744 1.00 0.00 H new ATOM 1197 N LEU A 80 -4.407 -15.442 -0.327 1.00 0.00 N ATOM 1198 CA LEU A 80 -4.244 -15.800 1.072 1.00 0.00 C ATOM 1199 C LEU A 80 -4.545 -14.581 1.944 1.00 0.00 C ATOM 1200 O LEU A 80 -4.834 -14.718 3.132 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.858 -16.402 1.313 1.00 0.00 C ATOM 1202 CG LEU A 80 -2.817 -17.910 1.571 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -2.997 -18.694 0.270 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -1.535 -18.305 2.306 1.00 0.00 C ATOM 0 H LEU A 80 -3.581 -15.595 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.956 -16.576 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.234 -16.185 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.407 -15.895 2.166 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.653 -18.169 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.964 -19.763 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.959 -18.442 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.197 -18.437 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.531 -19.381 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.670 -18.030 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.489 -17.785 3.263 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.467 -13.413 1.322 1.00 0.00 N ATOM 1217 CA ALA A 81 -4.727 -12.171 2.027 1.00 0.00 C ATOM 1218 C ALA A 81 -5.916 -12.363 2.969 1.00 0.00 C ATOM 1219 O ALA A 81 -6.747 -13.245 2.754 1.00 0.00 O ATOM 1220 CB ALA A 81 -4.962 -11.048 1.014 1.00 0.00 C ATOM 0 H ALA A 81 -4.227 -13.302 0.337 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.867 -11.888 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.157 -10.115 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.077 -10.932 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.819 -11.296 0.388 1.00 0.00 H new ATOM 1226 N TYR A 82 -5.961 -11.524 3.994 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.035 -11.590 4.970 1.00 0.00 C ATOM 1228 C TYR A 82 -8.171 -10.633 4.602 1.00 0.00 C ATOM 1229 O TYR A 82 -7.957 -9.429 4.476 1.00 0.00 O ATOM 1230 CB TYR A 82 -6.424 -11.148 6.301 1.00 0.00 C ATOM 1231 CG TYR A 82 -6.485 -12.213 7.398 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -7.604 -12.315 8.199 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -5.422 -13.072 7.587 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -7.663 -13.317 9.232 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -5.479 -14.074 8.619 1.00 0.00 C ATOM 1236 CZ TYR A 82 -6.597 -14.147 9.391 1.00 0.00 C ATOM 1237 OH TYR A 82 -6.651 -15.094 10.366 1.00 0.00 O ATOM 0 H TYR A 82 -5.270 -10.794 4.169 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.451 -12.597 5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.383 -10.870 6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.942 -10.254 6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.436 -11.643 8.051 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.546 -12.993 6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.533 -13.407 9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.653 -14.752 8.777 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.821 -15.615 10.363 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.355 -11.206 4.440 1.00 0.00 N ATOM 1248 CA GLY A 83 -10.525 -10.420 4.088 1.00 0.00 C ATOM 1249 C GLY A 83 -10.633 -10.245 2.572 1.00 0.00 C ATOM 1250 O GLY A 83 -11.724 -10.328 2.011 1.00 0.00 O ATOM 0 H GLY A 83 -9.529 -12.205 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.423 -10.909 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.468 -9.443 4.567 1.00 0.00 H new ATOM 1254 N LEU A 84 -9.486 -10.007 1.953 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.438 -9.819 0.513 1.00 0.00 C ATOM 1256 C LEU A 84 -10.626 -8.959 0.075 1.00 0.00 C ATOM 1257 O LEU A 84 -11.647 -9.484 -0.366 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.360 -11.170 -0.201 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.317 -11.280 -1.316 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -8.367 -12.658 -1.978 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -8.483 -10.148 -2.333 1.00 0.00 C ATOM 0 H LEU A 84 -8.583 -9.940 2.422 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.533 -9.281 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.151 -11.940 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.340 -11.392 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.327 -11.172 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.616 -12.710 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.165 -13.427 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.356 -12.820 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.730 -10.248 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.477 -10.201 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.360 -9.188 -1.832 1.00 0.00 H new ATOM 1273 N THR A 85 -10.453 -7.653 0.212 1.00 0.00 N ATOM 1274 CA THR A 85 -11.498 -6.716 -0.164 1.00 0.00 C ATOM 1275 C THR A 85 -11.705 -6.728 -1.680 1.00 0.00 C ATOM 1276 O THR A 85 -11.013 -7.448 -2.399 1.00 0.00 O ATOM 1277 CB THR A 85 -11.120 -5.340 0.387 1.00 0.00 C ATOM 1278 OG1 THR A 85 -9.806 -5.114 -0.115 1.00 0.00 O ATOM 1279 CG2 THR A 85 -10.942 -5.347 1.907 1.00 0.00 C ATOM 0 H THR A 85 -9.605 -7.221 0.578 1.00 0.00 H new ATOM 0 HA THR A 85 -12.458 -7.001 0.266 1.00 0.00 H new ATOM 0 HB THR A 85 -11.888 -4.616 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.835 -4.419 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.674 -4.346 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.874 -5.654 2.381 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.150 -6.046 2.177 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.658 -5.922 -2.121 1.00 0.00 N ATOM 1288 CA ASP A 86 -12.965 -5.830 -3.539 1.00 0.00 C ATOM 1289 C ASP A 86 -11.924 -4.942 -4.224 1.00 0.00 C ATOM 1290 O ASP A 86 -11.872 -4.875 -5.451 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.342 -5.204 -3.765 1.00 0.00 C ATOM 1292 CG ASP A 86 -14.943 -5.447 -5.151 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.602 -4.759 -6.125 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -15.807 -6.403 -5.210 1.00 0.00 O ATOM 0 H ASP A 86 -13.229 -5.326 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.955 -6.838 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.029 -5.594 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.267 -4.129 -3.601 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.120 -4.283 -3.402 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.084 -3.403 -3.913 1.00 0.00 C ATOM 1302 C ARG A 87 -8.723 -3.791 -3.331 1.00 0.00 C ATOM 1303 O ARG A 87 -7.779 -3.003 -3.374 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.382 -1.942 -3.569 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.250 -1.697 -2.064 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.143 -0.537 -1.618 1.00 0.00 C ATOM 1307 NE ARG A 87 -12.446 -1.054 -1.147 1.00 0.00 N ATOM 1308 CZ ARG A 87 -13.329 -0.333 -0.421 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -13.053 0.942 -0.077 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -14.464 -0.897 -0.053 1.00 0.00 N ATOM 0 H ARG A 87 -11.166 -4.341 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.063 -3.511 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.696 -1.290 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.390 -1.685 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.523 -2.601 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.211 -1.477 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.655 0.023 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.295 0.155 -2.446 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.694 -2.014 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.172 1.369 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.725 1.479 0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.663 -1.862 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.142 -0.368 0.495 1.00 0.00 H new ATOM 1323 N SER A 88 -8.666 -5.003 -2.799 1.00 0.00 N ATOM 1324 CA SER A 88 -7.437 -5.504 -2.209 1.00 0.00 C ATOM 1325 C SER A 88 -6.443 -5.881 -3.309 1.00 0.00 C ATOM 1326 O SER A 88 -6.788 -6.613 -4.236 1.00 0.00 O ATOM 1327 CB SER A 88 -7.710 -6.707 -1.305 1.00 0.00 C ATOM 1328 OG SER A 88 -6.857 -7.807 -1.608 1.00 0.00 O ATOM 0 H SER A 88 -9.452 -5.653 -2.764 1.00 0.00 H new ATOM 0 HA SER A 88 -7.006 -4.713 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.571 -6.417 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.750 -7.014 -1.414 1.00 0.00 H new ATOM 0 HG SER A 88 -6.761 -8.375 -0.815 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.231 -5.365 -3.170 1.00 0.00 N ATOM 1335 CA ARG A 89 -4.185 -5.640 -4.141 1.00 0.00 C ATOM 1336 C ARG A 89 -2.808 -5.526 -3.485 1.00 0.00 C ATOM 1337 O ARG A 89 -1.944 -4.796 -3.969 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.261 -4.669 -5.322 1.00 0.00 C ATOM 1339 CG ARG A 89 -4.483 -5.420 -6.636 1.00 0.00 C ATOM 1340 CD ARG A 89 -3.771 -4.719 -7.795 1.00 0.00 C ATOM 1341 NE ARG A 89 -4.350 -5.157 -9.084 1.00 0.00 N ATOM 1342 CZ ARG A 89 -5.554 -4.759 -9.546 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -6.318 -3.910 -8.826 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -5.975 -5.214 -10.712 1.00 0.00 N ATOM 0 H ARG A 89 -4.950 -4.758 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.333 -6.655 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.073 -3.960 -5.163 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.339 -4.090 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.114 -6.441 -6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.551 -5.485 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.868 -3.638 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.705 -4.947 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.805 -5.800 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.986 -3.564 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.227 -3.614 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.393 -5.856 -11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.883 -4.923 -11.075 1.00 0.00 H new ATOM 1357 N LEU A 90 -2.646 -6.259 -2.394 1.00 0.00 N ATOM 1358 CA LEU A 90 -1.388 -6.250 -1.665 1.00 0.00 C ATOM 1359 C LEU A 90 -0.825 -4.828 -1.647 1.00 0.00 C ATOM 1360 O LEU A 90 -1.360 -3.953 -0.967 1.00 0.00 O ATOM 1361 CB LEU A 90 -0.425 -7.286 -2.248 1.00 0.00 C ATOM 1362 CG LEU A 90 0.615 -7.854 -1.280 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.289 -9.096 -1.866 1.00 0.00 C ATOM 1364 CD2 LEU A 90 1.633 -6.784 -0.880 1.00 0.00 C ATOM 0 H LEU A 90 -3.365 -6.864 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.546 -6.544 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.011 -8.114 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.100 -6.832 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 90 0.101 -8.166 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.024 -9.480 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.537 -9.861 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.787 -8.833 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.361 -7.214 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.146 -6.419 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.118 -5.956 -0.393 1.00 0.00 H new ATOM 1376 N GLY A 91 0.247 -4.640 -2.402 1.00 0.00 N ATOM 1377 CA GLY A 91 0.889 -3.340 -2.481 1.00 0.00 C ATOM 1378 C GLY A 91 2.385 -3.445 -2.176 1.00 0.00 C ATOM 1379 O GLY A 91 2.905 -2.708 -1.341 1.00 0.00 O ATOM 0 H GLY A 91 0.687 -5.368 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.746 -2.920 -3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.418 -2.655 -1.776 1.00 0.00 H new ATOM 1383 N CYS A 92 3.033 -4.370 -2.869 1.00 0.00 N ATOM 1384 CA CYS A 92 4.458 -4.582 -2.683 1.00 0.00 C ATOM 1385 C CYS A 92 5.106 -4.733 -4.060 1.00 0.00 C ATOM 1386 O CYS A 92 6.263 -5.137 -4.166 1.00 0.00 O ATOM 1387 CB CYS A 92 4.737 -5.790 -1.785 1.00 0.00 C ATOM 1388 SG CYS A 92 4.628 -7.333 -2.762 1.00 0.00 S ATOM 0 H CYS A 92 2.597 -4.981 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 92 4.892 -3.723 -2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.728 -5.701 -1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 92 4.020 -5.817 -0.965 1.00 0.00 H new ATOM 0 HG CYS A 92 4.868 -8.352 -1.992 1.00 0.00 H new ATOM 1394 N GLN A 93 4.332 -4.400 -5.083 1.00 0.00 N ATOM 1395 CA GLN A 93 4.816 -4.492 -6.450 1.00 0.00 C ATOM 1396 C GLN A 93 4.420 -3.243 -7.239 1.00 0.00 C ATOM 1397 O GLN A 93 4.592 -3.193 -8.456 1.00 0.00 O ATOM 1398 CB GLN A 93 4.294 -5.760 -7.130 1.00 0.00 C ATOM 1399 CG GLN A 93 5.407 -6.800 -7.276 1.00 0.00 C ATOM 1400 CD GLN A 93 5.628 -7.554 -5.962 1.00 0.00 C ATOM 1401 OE1 GLN A 93 4.619 -8.348 -5.618 1.00 0.00 O flip ATOM 1402 NE2 GLN A 93 6.648 -7.423 -5.306 1.00 0.00 N flip ATOM 0 H GLN A 93 3.373 -4.066 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 93 5.904 -4.552 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.474 -6.179 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.892 -5.511 -8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.149 -7.506 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.332 -6.308 -7.578 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.385 -6.796 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.764 -7.941 -4.435 1.00 0.00 H new ATOM 1411 N ILE A 94 3.895 -2.266 -6.515 1.00 0.00 N ATOM 1412 CA ILE A 94 3.473 -1.020 -7.132 1.00 0.00 C ATOM 1413 C ILE A 94 4.209 0.148 -6.471 1.00 0.00 C ATOM 1414 O ILE A 94 4.458 0.127 -5.266 1.00 0.00 O ATOM 1415 CB ILE A 94 1.950 -0.890 -7.089 1.00 0.00 C ATOM 1416 CG1 ILE A 94 1.282 -1.965 -7.948 1.00 0.00 C ATOM 1417 CG2 ILE A 94 1.508 0.520 -7.489 1.00 0.00 C ATOM 1418 CD1 ILE A 94 1.579 -1.743 -9.433 1.00 0.00 C ATOM 0 H ILE A 94 3.752 -2.312 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 94 3.741 -1.009 -8.188 1.00 0.00 H new ATOM 0 HB ILE A 94 1.623 -1.051 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.637 -2.950 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.205 -1.950 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.421 0.585 -7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.940 1.246 -6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.848 0.734 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.093 -2.521 -10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.201 -0.767 -9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.656 -1.783 -9.599 1.00 0.00 H new ATOM 1430 N CYS A 95 4.537 1.137 -7.288 1.00 0.00 N ATOM 1431 CA CYS A 95 5.239 2.311 -6.797 1.00 0.00 C ATOM 1432 C CYS A 95 4.252 3.478 -6.753 1.00 0.00 C ATOM 1433 O CYS A 95 3.409 3.617 -7.639 1.00 0.00 O ATOM 1434 CB CYS A 95 6.467 2.633 -7.652 1.00 0.00 C ATOM 1435 SG CYS A 95 5.995 2.718 -9.418 1.00 0.00 S ATOM 0 H CYS A 95 4.330 1.150 -8.287 1.00 0.00 H new ATOM 0 HA CYS A 95 5.617 2.119 -5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.901 3.582 -7.337 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.231 1.869 -7.508 1.00 0.00 H new ATOM 0 HG CYS A 95 4.747 3.068 -9.517 1.00 0.00 H new ATOM 1441 N LEU A 96 4.389 4.289 -5.714 1.00 0.00 N ATOM 1442 CA LEU A 96 3.519 5.440 -5.543 1.00 0.00 C ATOM 1443 C LEU A 96 3.306 6.119 -6.897 1.00 0.00 C ATOM 1444 O LEU A 96 4.111 5.952 -7.812 1.00 0.00 O ATOM 1445 CB LEU A 96 4.073 6.375 -4.467 1.00 0.00 C ATOM 1446 CG LEU A 96 3.618 6.093 -3.033 1.00 0.00 C ATOM 1447 CD1 LEU A 96 4.756 6.334 -2.039 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.370 6.906 -2.684 1.00 0.00 C ATOM 0 H LEU A 96 5.090 4.172 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 96 2.538 5.126 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.162 6.327 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.792 7.397 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 96 3.346 5.040 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.406 6.126 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.592 5.676 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.082 7.372 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.068 6.687 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.590 7.969 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.561 6.642 -3.365 1.00 0.00 H new ATOM 1460 N THR A 97 2.218 6.871 -6.983 1.00 0.00 N ATOM 1461 CA THR A 97 1.889 7.574 -8.209 1.00 0.00 C ATOM 1462 C THR A 97 1.251 8.928 -7.893 1.00 0.00 C ATOM 1463 O THR A 97 1.026 9.256 -6.728 1.00 0.00 O ATOM 1464 CB THR A 97 0.994 6.664 -9.053 1.00 0.00 C ATOM 1465 OG1 THR A 97 -0.050 6.281 -8.161 1.00 0.00 O ATOM 1466 CG2 THR A 97 1.678 5.343 -9.414 1.00 0.00 C ATOM 0 H THR A 97 1.553 7.008 -6.222 1.00 0.00 H new ATOM 0 HA THR A 97 2.785 7.798 -8.787 1.00 0.00 H new ATOM 0 HB THR A 97 0.704 7.185 -9.966 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.894 6.685 -8.452 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.001 4.734 -10.013 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.584 5.546 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.937 4.806 -8.501 1.00 0.00 H new ATOM 1474 N LYS A 98 0.978 9.680 -8.949 1.00 0.00 N ATOM 1475 CA LYS A 98 0.370 10.992 -8.798 1.00 0.00 C ATOM 1476 C LYS A 98 -1.113 10.826 -8.467 1.00 0.00 C ATOM 1477 O LYS A 98 -1.711 11.690 -7.827 1.00 0.00 O ATOM 1478 CB LYS A 98 0.632 11.849 -10.038 1.00 0.00 C ATOM 1479 CG LYS A 98 1.925 12.653 -9.887 1.00 0.00 C ATOM 1480 CD LYS A 98 1.694 14.130 -10.212 1.00 0.00 C ATOM 1481 CE LYS A 98 3.024 14.871 -10.368 1.00 0.00 C ATOM 0 H LYS A 98 1.167 9.406 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 98 0.824 11.530 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.698 11.210 -10.919 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.206 12.528 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.301 12.556 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.689 12.247 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.115 14.218 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.106 14.593 -9.419 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.667 9.710 -8.917 1.00 0.00 N ATOM 1496 CA ALA A 99 -3.070 9.419 -8.676 1.00 0.00 C ATOM 1497 C ALA A 99 -3.259 9.014 -7.212 1.00 0.00 C ATOM 1498 O ALA A 99 -4.384 8.810 -6.761 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.542 8.334 -9.646 1.00 0.00 C ATOM 0 H ALA A 99 -1.169 8.996 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.681 10.304 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.595 8.116 -9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.415 8.682 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.953 7.429 -9.495 1.00 0.00 H new ATOM 1505 N MET A 100 -2.139 8.910 -6.511 1.00 0.00 N ATOM 1506 CA MET A 100 -2.167 8.533 -5.109 1.00 0.00 C ATOM 1507 C MET A 100 -2.013 9.761 -4.208 1.00 0.00 C ATOM 1508 O MET A 100 -1.784 9.629 -3.007 1.00 0.00 O ATOM 1509 CB MET A 100 -1.034 7.545 -4.823 1.00 0.00 C ATOM 1510 CG MET A 100 -1.309 6.191 -5.478 1.00 0.00 C ATOM 1511 SD MET A 100 -2.725 5.418 -4.712 1.00 0.00 S ATOM 1512 CE MET A 100 -2.133 3.738 -4.595 1.00 0.00 C ATOM 0 H MET A 100 -1.207 9.080 -6.888 1.00 0.00 H new ATOM 0 HA MET A 100 -3.129 8.067 -4.896 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.092 7.948 -5.195 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.922 7.416 -3.746 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.490 6.324 -6.545 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.435 5.546 -5.380 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.394 3.327 -3.620 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.593 3.135 -5.378 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.050 3.725 -4.716 1.00 0.00 H new ATOM 1522 N ASP A 101 -2.147 10.927 -4.823 1.00 0.00 N ATOM 1523 CA ASP A 101 -2.025 12.177 -4.092 1.00 0.00 C ATOM 1524 C ASP A 101 -3.087 12.224 -2.991 1.00 0.00 C ATOM 1525 O ASP A 101 -4.251 12.520 -3.259 1.00 0.00 O ATOM 1526 CB ASP A 101 -2.247 13.377 -5.014 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.508 13.306 -5.877 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -3.724 12.332 -6.613 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -4.299 14.320 -5.771 1.00 0.00 O ATOM 0 H ASP A 101 -2.339 11.032 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.021 12.226 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.292 14.280 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.382 13.477 -5.669 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.648 11.927 -1.776 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.546 11.932 -0.634 1.00 0.00 C ATOM 1537 C ASN A 102 -4.447 10.697 -0.695 1.00 0.00 C ATOM 1538 O ASN A 102 -5.642 10.781 -0.413 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.442 13.172 -0.643 1.00 0.00 C ATOM 1540 CG ASN A 102 -4.602 13.742 0.767 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -5.072 13.085 1.681 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -4.187 14.999 0.893 1.00 0.00 N ATOM 0 H ASN A 102 -1.682 11.681 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.940 11.932 0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -4.014 13.930 -1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.421 12.915 -1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.253 15.470 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -3.803 15.493 0.087 1.00 0.00 H new ATOM 1549 N MET A 103 -3.840 9.579 -1.063 1.00 0.00 N ATOM 1550 CA MET A 103 -4.573 8.327 -1.164 1.00 0.00 C ATOM 1551 C MET A 103 -4.741 7.678 0.211 1.00 0.00 C ATOM 1552 O MET A 103 -3.949 7.924 1.118 1.00 0.00 O ATOM 1553 CB MET A 103 -3.823 7.369 -2.093 1.00 0.00 C ATOM 1554 CG MET A 103 -2.544 6.853 -1.430 1.00 0.00 C ATOM 1555 SD MET A 103 -2.471 5.074 -1.548 1.00 0.00 S ATOM 1556 CE MET A 103 -0.759 4.863 -2.005 1.00 0.00 C ATOM 0 H MET A 103 -2.849 9.513 -1.295 1.00 0.00 H new ATOM 0 HA MET A 103 -5.563 8.539 -1.569 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.467 6.529 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.574 7.879 -3.024 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.671 7.294 -1.912 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.518 7.158 -0.384 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.564 3.810 -2.207 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.546 5.450 -2.899 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.120 5.200 -1.189 1.00 0.00 H new ATOM 1566 N THR A 104 -5.780 6.864 0.322 1.00 0.00 N ATOM 1567 CA THR A 104 -6.063 6.177 1.571 1.00 0.00 C ATOM 1568 C THR A 104 -6.062 4.662 1.360 1.00 0.00 C ATOM 1569 O THR A 104 -6.601 4.170 0.369 1.00 0.00 O ATOM 1570 CB THR A 104 -7.388 6.714 2.116 1.00 0.00 C ATOM 1571 OG1 THR A 104 -7.034 7.952 2.729 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.933 5.869 3.269 1.00 0.00 C ATOM 0 H THR A 104 -6.437 6.664 -0.433 1.00 0.00 H new ATOM 0 HA THR A 104 -5.288 6.370 2.312 1.00 0.00 H new ATOM 0 HB THR A 104 -8.124 6.748 1.313 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.835 8.370 3.108 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.874 6.294 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.101 4.849 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.213 5.862 4.087 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.452 3.964 2.306 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.374 2.515 2.236 1.00 0.00 C ATOM 1582 C VAL A 105 -5.724 1.923 3.603 1.00 0.00 C ATOM 1583 O VAL A 105 -5.727 2.632 4.608 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.994 2.088 1.734 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.533 2.975 0.576 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.971 2.098 2.872 1.00 0.00 C ATOM 0 H VAL A 105 -5.007 4.376 3.126 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.098 2.128 1.519 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.074 1.066 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.549 2.650 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.243 2.897 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.478 4.011 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.998 1.791 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.897 3.104 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.289 1.407 3.653 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.009 0.630 3.597 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.359 -0.066 4.823 1.00 0.00 C ATOM 1598 C ARG A 106 -5.428 -1.261 5.039 1.00 0.00 C ATOM 1599 O ARG A 106 -4.939 -1.853 4.079 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.808 -0.556 4.785 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.284 -0.968 6.179 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.781 -0.698 6.349 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.144 -0.738 7.782 1.00 0.00 N ATOM 1604 CZ ARG A 106 -10.161 -1.864 8.528 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -9.835 -3.054 7.979 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -10.501 -1.784 9.801 1.00 0.00 N ATOM 0 H ARG A 106 -6.005 0.045 2.761 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.248 0.639 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.452 0.232 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.892 -1.402 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.081 -2.027 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.723 -0.419 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.033 0.276 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.358 -1.442 5.799 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.397 0.140 8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.574 -3.107 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.850 -3.900 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.746 -0.881 10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.519 -2.625 10.378 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.212 -1.580 6.307 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.348 -2.694 6.662 1.00 0.00 C ATOM 1621 C VAL A 107 -5.207 -3.864 7.147 1.00 0.00 C ATOM 1622 O VAL A 107 -5.706 -3.849 8.271 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.312 -2.245 7.694 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.342 -3.380 8.026 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.561 -1.003 7.211 1.00 0.00 C ATOM 0 H VAL A 107 -5.620 -1.087 7.101 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.790 -3.038 5.791 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.842 -1.980 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.616 -3.034 8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.897 -4.225 8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.821 -3.690 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.830 -0.704 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.048 -1.229 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.269 -0.190 7.049 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.356 -4.877 6.251 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.145 -6.053 6.576 1.00 0.00 C ATOM 1637 C PRO A 108 -5.391 -6.970 7.540 1.00 0.00 C ATOM 1638 O PRO A 108 -4.166 -7.059 7.488 1.00 0.00 O ATOM 1639 CB PRO A 108 -6.440 -6.711 5.238 1.00 0.00 C ATOM 1640 CG PRO A 108 -5.422 -6.144 4.261 1.00 0.00 C ATOM 1641 CD PRO A 108 -4.780 -4.929 4.910 1.00 0.00 C ATOM 0 HA PRO A 108 -7.071 -5.808 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.352 -7.795 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -7.457 -6.494 4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.667 -6.892 4.020 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.905 -5.866 3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.695 -5.028 4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.998 -4.020 4.350 1.00 0.00 H new