USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 CYS SG : rot -67:sc= -3.73! USER MOD Single : A 22 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.0037) USER MOD Single : A 23 GLN : amide:sc= -0.483 K(o=-0.48,f=-3.1!) USER MOD Single : A 25 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.038) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0224) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc=-0.00917 X(o=-0.0092,f=-0.14) USER MOD Single : A 50 TYR OH : rot 109:sc= 0.616 USER MOD Single : A 62 THR OG1 : rot 179:sc= -0.572 USER MOD Single : A 63 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.41) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.426 -5.461 -0.349 1.00 0.00 N ATOM 56 CA GLY A 7 9.132 -5.847 -0.884 1.00 0.00 C ATOM 57 C GLY A 7 9.145 -7.304 -1.351 1.00 0.00 C ATOM 58 O GLY A 7 8.602 -7.628 -2.406 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.364 -5.712 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.870 -5.196 -1.718 1.00 0.00 H new ATOM 62 N GLY A 8 9.774 -8.145 -0.543 1.00 0.00 N ATOM 63 CA GLY A 8 9.865 -9.561 -0.860 1.00 0.00 C ATOM 64 C GLY A 8 8.569 -10.066 -1.497 1.00 0.00 C ATOM 65 O GLY A 8 8.526 -10.333 -2.697 1.00 0.00 O ATOM 0 H GLY A 8 10.226 -7.874 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.699 -9.732 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.073 -10.128 0.048 1.00 0.00 H new ATOM 69 N GLU A 9 7.544 -10.180 -0.666 1.00 0.00 N ATOM 70 CA GLU A 9 6.250 -10.647 -1.133 1.00 0.00 C ATOM 71 C GLU A 9 5.128 -9.819 -0.504 1.00 0.00 C ATOM 72 O GLU A 9 5.113 -9.605 0.707 1.00 0.00 O ATOM 73 CB GLU A 9 6.065 -12.136 -0.836 1.00 0.00 C ATOM 74 CG GLU A 9 5.626 -12.357 0.612 1.00 0.00 C ATOM 75 CD GLU A 9 6.112 -13.711 1.134 1.00 0.00 C ATOM 76 OE1 GLU A 9 5.958 -14.696 0.380 1.00 0.00 O ATOM 77 OE2 GLU A 9 6.625 -13.729 2.273 1.00 0.00 O ATOM 0 H GLU A 9 7.583 -9.957 0.329 1.00 0.00 H new ATOM 0 HA GLU A 9 6.208 -10.518 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.321 -12.556 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.999 -12.666 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.020 -11.559 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.539 -12.307 0.677 1.00 0.00 H new ATOM 82 N ILE A 10 4.214 -9.376 -1.355 1.00 0.00 N ATOM 83 CA ILE A 10 3.090 -8.576 -0.898 1.00 0.00 C ATOM 84 C ILE A 10 2.144 -9.456 -0.079 1.00 0.00 C ATOM 85 O ILE A 10 1.433 -10.294 -0.632 1.00 0.00 O ATOM 86 CB ILE A 10 2.413 -7.878 -2.079 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.236 -6.677 -2.551 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.974 -7.488 -1.734 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.213 -5.555 -1.511 1.00 0.00 C ATOM 0 H ILE A 10 4.229 -9.556 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 10 3.433 -7.777 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 10 2.365 -8.582 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.265 -6.986 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.840 -6.309 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.516 -6.994 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.404 -8.383 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.976 -6.809 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.805 -4.713 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.185 -5.232 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.632 -5.919 -0.573 1.00 0.00 H new ATOM 100 N ILE A 11 2.164 -9.236 1.227 1.00 0.00 N ATOM 101 CA ILE A 11 1.316 -9.998 2.128 1.00 0.00 C ATOM 102 C ILE A 11 0.169 -9.111 2.615 1.00 0.00 C ATOM 103 O ILE A 11 0.186 -7.899 2.408 1.00 0.00 O ATOM 104 CB ILE A 11 2.147 -10.604 3.262 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.620 -9.522 4.234 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.312 -11.427 2.708 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.520 -9.164 5.234 1.00 0.00 C ATOM 0 H ILE A 11 2.754 -8.541 1.683 1.00 0.00 H new ATOM 0 HA ILE A 11 0.867 -10.842 1.605 1.00 0.00 H new ATOM 0 HB ILE A 11 1.510 -11.286 3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.503 -9.870 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.914 -8.632 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.886 -11.846 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.924 -12.236 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.957 -10.786 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.883 -8.393 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.647 -8.793 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.245 -10.051 5.805 1.00 0.00 H new ATOM 118 N GLU A 12 -0.802 -9.750 3.250 1.00 0.00 N ATOM 119 CA GLU A 12 -1.956 -9.034 3.767 1.00 0.00 C ATOM 120 C GLU A 12 -1.564 -8.210 4.996 1.00 0.00 C ATOM 121 O GLU A 12 -1.036 -8.750 5.967 1.00 0.00 O ATOM 122 CB GLU A 12 -3.098 -9.998 4.096 1.00 0.00 C ATOM 123 CG GLU A 12 -3.534 -10.776 2.853 1.00 0.00 C ATOM 124 CD GLU A 12 -4.549 -11.862 3.214 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.452 -11.550 4.020 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.400 -12.981 2.675 1.00 0.00 O ATOM 0 H GLU A 12 -0.814 -10.756 3.418 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.311 -8.352 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.779 -10.694 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.945 -9.441 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.971 -10.092 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.663 -11.230 2.380 1.00 0.00 H new ATOM 131 N GLY A 13 -1.835 -6.917 4.912 1.00 0.00 N ATOM 132 CA GLY A 13 -1.517 -6.013 6.004 1.00 0.00 C ATOM 133 C GLY A 13 -0.548 -4.920 5.548 1.00 0.00 C ATOM 134 O GLY A 13 -0.563 -3.811 6.079 1.00 0.00 O ATOM 0 H GLY A 13 -2.272 -6.473 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.432 -5.558 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.076 -6.574 6.828 1.00 0.00 H new ATOM 138 N CYS A 14 0.270 -5.271 4.567 1.00 0.00 N ATOM 139 CA CYS A 14 1.243 -4.334 4.032 1.00 0.00 C ATOM 140 C CYS A 14 0.514 -3.040 3.666 1.00 0.00 C ATOM 141 O CYS A 14 -0.554 -3.077 3.057 1.00 0.00 O ATOM 142 CB CYS A 14 1.998 -4.921 2.838 1.00 0.00 C ATOM 143 SG CYS A 14 3.296 -6.072 3.423 1.00 0.00 S ATOM 0 H CYS A 14 0.279 -6.192 4.128 1.00 0.00 H new ATOM 0 HA CYS A 14 2.000 -4.122 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.304 -5.446 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.448 -4.120 2.252 1.00 0.00 H new ATOM 0 HG CYS A 14 4.211 -5.406 4.062 1.00 0.00 H new ATOM 148 N ARG A 15 1.120 -1.927 4.052 1.00 0.00 N ATOM 149 CA ARG A 15 0.541 -0.625 3.772 1.00 0.00 C ATOM 150 C ARG A 15 1.421 0.147 2.787 1.00 0.00 C ATOM 151 O ARG A 15 2.603 0.366 3.045 1.00 0.00 O ATOM 152 CB ARG A 15 0.382 0.195 5.054 1.00 0.00 C ATOM 153 CG ARG A 15 -0.989 -0.040 5.689 1.00 0.00 C ATOM 154 CD ARG A 15 -1.370 1.116 6.617 1.00 0.00 C ATOM 155 NE ARG A 15 -1.885 0.588 7.900 1.00 0.00 N ATOM 156 CZ ARG A 15 -2.537 1.326 8.808 1.00 0.00 C ATOM 157 NH1 ARG A 15 -2.757 2.628 8.580 1.00 0.00 N ATOM 158 NH2 ARG A 15 -2.970 0.762 9.944 1.00 0.00 N ATOM 0 H ARG A 15 2.006 -1.900 4.556 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.444 -0.788 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.166 -0.075 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.506 1.254 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.742 -0.147 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.978 -0.974 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.501 1.749 6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.126 1.740 6.142 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.734 -0.400 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.428 3.057 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.254 3.190 9.271 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.803 -0.229 10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.466 1.324 10.635 1.00 0.00 H new ATOM 169 N LEU A 16 0.810 0.538 1.678 1.00 0.00 N ATOM 170 CA LEU A 16 1.526 1.280 0.653 1.00 0.00 C ATOM 171 C LEU A 16 0.552 2.221 -0.060 1.00 0.00 C ATOM 172 O LEU A 16 -0.650 1.962 -0.103 1.00 0.00 O ATOM 173 CB LEU A 16 2.256 0.323 -0.290 1.00 0.00 C ATOM 174 CG LEU A 16 1.708 -1.104 -0.355 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.179 -1.105 -0.329 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.261 -1.849 -1.572 1.00 0.00 C ATOM 0 H LEU A 16 -0.171 0.356 1.467 1.00 0.00 H new ATOM 0 HA LEU A 16 2.301 1.901 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.232 0.746 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.302 0.276 0.011 1.00 0.00 H new ATOM 0 HG LEU A 16 2.046 -1.641 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.185 -2.131 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.170 -0.638 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.200 -0.546 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.856 -2.861 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.974 -1.323 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.348 -1.895 -1.507 1.00 0.00 H new ATOM 187 N PRO A 17 1.122 3.323 -0.617 1.00 0.00 N ATOM 188 CA PRO A 17 0.319 4.305 -1.325 1.00 0.00 C ATOM 189 C PRO A 17 -0.096 3.783 -2.702 1.00 0.00 C ATOM 190 O PRO A 17 0.738 3.642 -3.595 1.00 0.00 O ATOM 191 CB PRO A 17 1.192 5.548 -1.400 1.00 0.00 C ATOM 192 CG PRO A 17 2.613 5.075 -1.147 1.00 0.00 C ATOM 193 CD PRO A 17 2.542 3.664 -0.586 1.00 0.00 C ATOM 0 HA PRO A 17 -0.620 4.524 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.108 6.026 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.887 6.285 -0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.190 5.090 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.117 5.740 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.129 2.969 -1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.937 3.621 0.429 1.00 0.00 H new ATOM 198 N VAL A 18 -1.386 3.509 -2.831 1.00 0.00 N ATOM 199 CA VAL A 18 -1.923 3.005 -4.084 1.00 0.00 C ATOM 200 C VAL A 18 -2.359 4.183 -4.957 1.00 0.00 C ATOM 201 O VAL A 18 -2.855 5.187 -4.449 1.00 0.00 O ATOM 202 CB VAL A 18 -3.055 2.014 -3.808 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.769 1.621 -5.102 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.535 0.778 -3.072 1.00 0.00 C ATOM 0 H VAL A 18 -2.075 3.626 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.158 2.458 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.781 2.508 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.569 0.916 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.191 2.511 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.057 1.156 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.360 0.090 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.779 0.283 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.095 1.079 -2.121 1.00 0.00 H new ATOM 214 N LEU A 19 -2.160 4.020 -6.257 1.00 0.00 N ATOM 215 CA LEU A 19 -2.527 5.058 -7.206 1.00 0.00 C ATOM 216 C LEU A 19 -4.052 5.142 -7.299 1.00 0.00 C ATOM 217 O LEU A 19 -4.740 4.129 -7.194 1.00 0.00 O ATOM 218 CB LEU A 19 -1.841 4.819 -8.552 1.00 0.00 C ATOM 219 CG LEU A 19 -2.200 5.799 -9.671 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.416 7.106 -9.527 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.999 5.160 -11.047 1.00 0.00 C ATOM 0 H LEU A 19 -1.750 3.185 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.174 6.031 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.762 4.853 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.084 3.811 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.258 6.045 -9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.689 7.785 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.652 7.568 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.347 6.897 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.262 5.878 -11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.956 4.866 -11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.636 4.280 -11.136 1.00 0.00 H new ATOM 232 N ARG A 20 -4.534 6.361 -7.493 1.00 0.00 N ATOM 233 CA ARG A 20 -5.965 6.590 -7.601 1.00 0.00 C ATOM 234 C ARG A 20 -6.236 7.946 -8.257 1.00 0.00 C ATOM 235 O ARG A 20 -6.067 8.989 -7.629 1.00 0.00 O ATOM 236 CB ARG A 20 -6.634 6.555 -6.226 1.00 0.00 C ATOM 237 CG ARG A 20 -8.106 6.959 -6.321 1.00 0.00 C ATOM 238 CD ARG A 20 -8.922 5.891 -7.052 1.00 0.00 C ATOM 239 NE ARG A 20 -9.287 6.369 -8.404 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.044 5.678 -9.266 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.522 4.474 -8.923 1.00 0.00 N ATOM 242 NH2 ARG A 20 -10.324 6.191 -10.472 1.00 0.00 N ATOM 0 H ARG A 20 -3.960 7.200 -7.578 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.383 5.793 -8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.555 5.553 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.112 7.228 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.511 7.109 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.192 7.910 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.345 4.969 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.823 5.658 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.940 7.282 -8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.309 4.083 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.099 3.948 -9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.961 7.108 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.901 5.665 -11.129 1.00 0.00 H new ATOM 253 N ARG A 21 -6.654 7.886 -9.513 1.00 0.00 N ATOM 254 CA ARG A 21 -6.951 9.096 -10.262 1.00 0.00 C ATOM 255 C ARG A 21 -8.420 9.485 -10.081 1.00 0.00 C ATOM 256 O ARG A 21 -9.308 8.853 -10.652 1.00 0.00 O ATOM 257 CB ARG A 21 -6.661 8.907 -11.752 1.00 0.00 C ATOM 258 CG ARG A 21 -5.210 9.265 -12.077 1.00 0.00 C ATOM 259 CD ARG A 21 -4.984 9.317 -13.589 1.00 0.00 C ATOM 260 NE ARG A 21 -3.591 8.933 -13.907 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.040 9.039 -15.125 1.00 0.00 C ATOM 262 NH1 ARG A 21 -3.763 9.519 -16.146 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.768 8.666 -15.320 1.00 0.00 N ATOM 0 H ARG A 21 -6.794 7.019 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.311 9.890 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.857 7.873 -12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.334 9.532 -12.339 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.962 10.230 -11.635 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.541 8.529 -11.631 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.679 8.645 -14.092 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.187 10.321 -13.961 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.013 8.564 -13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.731 9.803 -15.996 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.345 9.600 -17.073 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.218 8.301 -14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.349 8.747 -16.247 1.00 0.00 H new ATOM 274 N ASN A 22 -8.630 10.522 -9.284 1.00 0.00 N ATOM 275 CA ASN A 22 -9.975 11.002 -9.020 1.00 0.00 C ATOM 276 C ASN A 22 -10.570 11.571 -10.309 1.00 0.00 C ATOM 277 O ASN A 22 -9.908 11.596 -11.345 1.00 0.00 O ATOM 278 CB ASN A 22 -9.967 12.116 -7.971 1.00 0.00 C ATOM 279 CG ASN A 22 -9.394 11.615 -6.643 1.00 0.00 C ATOM 280 OD1 ASN A 22 -10.007 10.842 -5.926 1.00 0.00 O ATOM 281 ND2 ASN A 22 -8.187 12.096 -6.360 1.00 0.00 N ATOM 0 H ASN A 22 -7.891 11.043 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.566 10.164 -8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.375 12.957 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.982 12.483 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.718 11.821 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.730 12.740 -7.006 1.00 0.00 H new ATOM 287 N GLN A 23 -11.815 12.016 -10.203 1.00 0.00 N ATOM 288 CA GLN A 23 -12.507 12.583 -11.348 1.00 0.00 C ATOM 289 C GLN A 23 -11.658 13.683 -11.990 1.00 0.00 C ATOM 290 O GLN A 23 -11.596 13.789 -13.214 1.00 0.00 O ATOM 291 CB GLN A 23 -13.884 13.117 -10.947 1.00 0.00 C ATOM 292 CG GLN A 23 -14.960 12.649 -11.928 1.00 0.00 C ATOM 293 CD GLN A 23 -15.722 13.838 -12.516 1.00 0.00 C ATOM 294 OE1 GLN A 23 -15.516 14.983 -12.147 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.610 13.506 -13.447 1.00 0.00 N ATOM 0 H GLN A 23 -12.361 11.995 -9.342 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.660 11.793 -12.083 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.131 12.777 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.862 14.206 -10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.499 12.075 -12.732 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.656 11.983 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.733 12.528 -13.709 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.169 14.229 -13.900 1.00 0.00 H new ATOM 302 N ASP A 24 -11.026 14.473 -11.134 1.00 0.00 N ATOM 303 CA ASP A 24 -10.183 15.560 -11.602 1.00 0.00 C ATOM 304 C ASP A 24 -9.018 14.986 -12.410 1.00 0.00 C ATOM 305 O ASP A 24 -8.372 15.703 -13.172 1.00 0.00 O ATOM 306 CB ASP A 24 -9.601 16.350 -10.429 1.00 0.00 C ATOM 307 CG ASP A 24 -10.575 17.316 -9.752 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.277 16.858 -8.825 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.597 18.492 -10.177 1.00 0.00 O ATOM 0 H ASP A 24 -11.081 14.382 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.796 16.222 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.234 15.645 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.740 16.916 -10.784 1.00 0.00 H new ATOM 313 N ASN A 25 -8.784 13.695 -12.217 1.00 0.00 N ATOM 314 CA ASN A 25 -7.708 13.017 -12.918 1.00 0.00 C ATOM 315 C ASN A 25 -6.388 13.278 -12.192 1.00 0.00 C ATOM 316 O ASN A 25 -5.322 13.250 -12.805 1.00 0.00 O ATOM 317 CB ASN A 25 -7.571 13.536 -14.350 1.00 0.00 C ATOM 318 CG ASN A 25 -6.912 12.489 -15.252 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.524 11.519 -15.670 1.00 0.00 O ATOM 320 ND2 ASN A 25 -5.635 12.738 -15.527 1.00 0.00 N ATOM 0 H ASN A 25 -9.322 13.102 -11.585 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.939 11.952 -12.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.555 13.793 -14.743 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.977 14.450 -14.354 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.107 12.098 -16.121 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.183 13.569 -15.144 1.00 0.00 H new ATOM 326 N GLU A 26 -6.501 13.526 -10.896 1.00 0.00 N ATOM 327 CA GLU A 26 -5.328 13.792 -10.079 1.00 0.00 C ATOM 328 C GLU A 26 -4.810 12.493 -9.456 1.00 0.00 C ATOM 329 O GLU A 26 -5.350 12.022 -8.456 1.00 0.00 O ATOM 330 CB GLU A 26 -5.636 14.833 -9.000 1.00 0.00 C ATOM 331 CG GLU A 26 -6.115 16.144 -9.626 1.00 0.00 C ATOM 332 CD GLU A 26 -6.047 17.290 -8.614 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.910 17.688 -8.282 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.135 17.744 -8.196 1.00 0.00 O ATOM 0 H GLU A 26 -7.387 13.549 -10.391 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.547 14.202 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.400 14.447 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.744 15.016 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.500 16.383 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.139 16.029 -9.982 1.00 0.00 H new ATOM 339 N ASP A 27 -3.768 11.954 -10.072 1.00 0.00 N ATOM 340 CA ASP A 27 -3.172 10.720 -9.590 1.00 0.00 C ATOM 341 C ASP A 27 -2.977 10.810 -8.075 1.00 0.00 C ATOM 342 O ASP A 27 -1.975 11.348 -7.606 1.00 0.00 O ATOM 343 CB ASP A 27 -1.802 10.485 -10.229 1.00 0.00 C ATOM 344 CG ASP A 27 -1.839 10.016 -11.686 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.326 10.806 -12.524 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.381 8.880 -11.928 1.00 0.00 O ATOM 0 H ASP A 27 -3.322 12.349 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.839 9.899 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.229 11.411 -10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.265 9.743 -9.638 1.00 0.00 H new ATOM 350 N GLU A 28 -3.950 10.274 -7.354 1.00 0.00 N ATOM 351 CA GLU A 28 -3.898 10.288 -5.901 1.00 0.00 C ATOM 352 C GLU A 28 -3.140 9.062 -5.386 1.00 0.00 C ATOM 353 O GLU A 28 -3.111 8.024 -6.045 1.00 0.00 O ATOM 354 CB GLU A 28 -5.304 10.353 -5.303 1.00 0.00 C ATOM 355 CG GLU A 28 -5.252 10.722 -3.819 1.00 0.00 C ATOM 356 CD GLU A 28 -6.590 10.432 -3.134 1.00 0.00 C ATOM 357 OE1 GLU A 28 -7.380 9.670 -3.733 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.791 10.978 -2.028 1.00 0.00 O ATOM 0 H GLU A 28 -4.778 9.828 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.362 11.183 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.899 11.089 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.800 9.390 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.459 10.158 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.006 11.778 -3.712 1.00 0.00 H new ATOM 363 N TRP A 29 -2.546 9.223 -4.213 1.00 0.00 N ATOM 364 CA TRP A 29 -1.790 8.143 -3.602 1.00 0.00 C ATOM 365 C TRP A 29 -2.188 8.062 -2.127 1.00 0.00 C ATOM 366 O TRP A 29 -1.366 8.303 -1.244 1.00 0.00 O ATOM 367 CB TRP A 29 -0.287 8.342 -3.806 1.00 0.00 C ATOM 368 CG TRP A 29 0.154 8.294 -5.270 1.00 0.00 C ATOM 369 CD1 TRP A 29 -0.007 9.232 -6.212 1.00 0.00 C ATOM 370 CD2 TRP A 29 0.842 7.207 -5.924 1.00 0.00 C ATOM 371 NE1 TRP A 29 0.523 8.833 -7.421 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.057 7.561 -7.241 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.269 5.966 -5.422 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.703 6.730 -8.163 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.914 5.146 -6.355 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.137 5.489 -7.683 1.00 0.00 C ATOM 0 H TRP A 29 -2.573 10.085 -3.669 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.024 7.191 -4.078 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.003 9.303 -3.381 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.250 7.573 -3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -0.492 10.183 -6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.523 9.371 -8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.112 5.668 -4.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 1.858 7.030 -9.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.262 4.180 -6.020 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.644 4.800 -8.343 1.00 0.00 H new ATOM 386 N PRO A 30 -3.484 7.716 -1.899 1.00 0.00 N ATOM 387 CA PRO A 30 -4.000 7.601 -0.546 1.00 0.00 C ATOM 388 C PRO A 30 -3.503 6.319 0.125 1.00 0.00 C ATOM 389 O PRO A 30 -3.518 5.250 -0.484 1.00 0.00 O ATOM 390 CB PRO A 30 -5.512 7.644 -0.698 1.00 0.00 C ATOM 391 CG PRO A 30 -5.794 7.314 -2.154 1.00 0.00 C ATOM 392 CD PRO A 30 -4.486 7.425 -2.919 1.00 0.00 C ATOM 0 HA PRO A 30 -3.654 8.404 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.992 6.925 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.903 8.628 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.205 6.309 -2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.535 8.000 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.256 6.500 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.531 8.216 -3.667 1.00 0.00 H new ATOM 397 N LEU A 31 -3.074 6.468 1.369 1.00 0.00 N ATOM 398 CA LEU A 31 -2.573 5.335 2.129 1.00 0.00 C ATOM 399 C LEU A 31 -3.576 4.183 2.040 1.00 0.00 C ATOM 400 O LEU A 31 -4.751 4.354 2.358 1.00 0.00 O ATOM 401 CB LEU A 31 -2.244 5.755 3.563 1.00 0.00 C ATOM 402 CG LEU A 31 -1.193 4.910 4.285 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.718 3.498 4.557 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.124 4.891 3.509 1.00 0.00 C ATOM 0 H LEU A 31 -3.063 7.356 1.870 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.636 4.976 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.902 6.790 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.164 5.732 4.147 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.990 5.371 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.952 2.918 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.610 3.555 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.967 3.014 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.853 4.283 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.043 4.468 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.503 5.908 3.410 1.00 0.00 H new ATOM 415 N ALA A 32 -3.074 3.036 1.606 1.00 0.00 N ATOM 416 CA ALA A 32 -3.910 1.857 1.470 1.00 0.00 C ATOM 417 C ALA A 32 -3.244 0.679 2.184 1.00 0.00 C ATOM 418 O ALA A 32 -2.033 0.684 2.400 1.00 0.00 O ATOM 419 CB ALA A 32 -4.160 1.574 -0.013 1.00 0.00 C ATOM 0 H ALA A 32 -2.098 2.899 1.344 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.881 2.020 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.788 0.689 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.662 2.428 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.208 1.403 -0.516 1.00 0.00 H new ATOM 425 N GLU A 33 -4.063 -0.303 2.531 1.00 0.00 N ATOM 426 CA GLU A 33 -3.569 -1.484 3.216 1.00 0.00 C ATOM 427 C GLU A 33 -4.006 -2.749 2.476 1.00 0.00 C ATOM 428 O GLU A 33 -5.161 -2.866 2.068 1.00 0.00 O ATOM 429 CB GLU A 33 -4.036 -1.511 4.673 1.00 0.00 C ATOM 430 CG GLU A 33 -3.421 -2.692 5.425 1.00 0.00 C ATOM 431 CD GLU A 33 -4.304 -3.112 6.602 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.496 -3.389 6.346 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.767 -3.147 7.731 1.00 0.00 O ATOM 0 H GLU A 33 -5.067 -0.304 2.350 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.480 -1.447 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.759 -0.578 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.123 -1.579 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.292 -3.533 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.430 -2.420 5.788 1.00 0.00 H new ATOM 438 N ILE A 34 -3.061 -3.666 2.325 1.00 0.00 N ATOM 439 CA ILE A 34 -3.336 -4.918 1.642 1.00 0.00 C ATOM 440 C ILE A 34 -4.299 -5.755 2.486 1.00 0.00 C ATOM 441 O ILE A 34 -4.204 -5.768 3.713 1.00 0.00 O ATOM 442 CB ILE A 34 -2.030 -5.640 1.301 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.064 -4.708 0.565 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.302 -6.923 0.514 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.301 -4.757 -0.946 1.00 0.00 C ATOM 0 H ILE A 34 -2.104 -3.566 2.664 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.829 -4.731 0.688 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.547 -5.932 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.193 -3.687 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.036 -4.996 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.357 -7.416 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.925 -7.590 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.818 -6.678 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.602 -4.086 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.148 -5.774 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.322 -4.445 -1.164 1.00 0.00 H new ATOM 456 N LEU A 35 -5.203 -6.434 1.795 1.00 0.00 N ATOM 457 CA LEU A 35 -6.182 -7.271 2.467 1.00 0.00 C ATOM 458 C LEU A 35 -6.096 -8.695 1.913 1.00 0.00 C ATOM 459 O LEU A 35 -6.055 -9.661 2.673 1.00 0.00 O ATOM 460 CB LEU A 35 -7.579 -6.654 2.361 1.00 0.00 C ATOM 461 CG LEU A 35 -7.681 -5.166 2.702 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.105 -4.650 2.485 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.183 -4.893 4.122 1.00 0.00 C ATOM 0 H LEU A 35 -5.278 -6.422 0.778 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.964 -7.329 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.943 -6.799 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.249 -7.205 3.021 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.032 -4.615 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.150 -3.590 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.387 -4.789 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.794 -5.203 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.267 -3.828 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.786 -5.456 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.141 -5.200 4.207 1.00 0.00 H new ATOM 474 N SER A 36 -6.072 -8.779 0.590 1.00 0.00 N ATOM 475 CA SER A 36 -5.991 -10.069 -0.076 1.00 0.00 C ATOM 476 C SER A 36 -5.275 -9.919 -1.419 1.00 0.00 C ATOM 477 O SER A 36 -5.396 -8.889 -2.080 1.00 0.00 O ATOM 478 CB SER A 36 -7.383 -10.671 -0.280 1.00 0.00 C ATOM 479 OG SER A 36 -7.420 -12.056 0.053 1.00 0.00 O ATOM 0 H SER A 36 -6.107 -7.976 -0.038 1.00 0.00 H new ATOM 0 HA SER A 36 -5.421 -10.748 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.105 -10.131 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.686 -10.540 -1.319 1.00 0.00 H new ATOM 0 HG SER A 36 -8.326 -12.403 -0.089 1.00 0.00 H new ATOM 484 N VAL A 37 -4.545 -10.963 -1.784 1.00 0.00 N ATOM 485 CA VAL A 37 -3.809 -10.962 -3.036 1.00 0.00 C ATOM 486 C VAL A 37 -4.437 -11.978 -3.994 1.00 0.00 C ATOM 487 O VAL A 37 -5.262 -12.793 -3.585 1.00 0.00 O ATOM 488 CB VAL A 37 -2.326 -11.227 -2.772 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.527 -11.224 -4.077 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.755 -10.211 -1.780 1.00 0.00 C ATOM 0 H VAL A 37 -4.448 -11.816 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.871 -9.984 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.238 -12.218 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.476 -11.415 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.908 -12.002 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.627 -10.253 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.699 -10.422 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.863 -9.205 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.296 -10.281 -0.836 1.00 0.00 H new ATOM 500 N LYS A 38 -4.022 -11.895 -5.249 1.00 0.00 N ATOM 501 CA LYS A 38 -4.533 -12.797 -6.267 1.00 0.00 C ATOM 502 C LYS A 38 -3.580 -12.801 -7.464 1.00 0.00 C ATOM 503 O LYS A 38 -2.570 -12.099 -7.460 1.00 0.00 O ATOM 504 CB LYS A 38 -5.975 -12.434 -6.629 1.00 0.00 C ATOM 505 CG LYS A 38 -6.805 -13.690 -6.899 1.00 0.00 C ATOM 506 CD LYS A 38 -7.261 -13.744 -8.359 1.00 0.00 C ATOM 507 CE LYS A 38 -8.721 -14.188 -8.462 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.873 -15.581 -7.986 1.00 0.00 N ATOM 0 H LYS A 38 -3.338 -11.217 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.572 -13.818 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.425 -11.864 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.982 -11.793 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.216 -14.577 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.675 -13.703 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.143 -12.762 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.627 -14.434 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.352 -13.524 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.059 -14.112 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.852 -15.896 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.223 -16.200 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.651 -15.627 -6.971 1.00 0.00 H new ATOM 518 N ASP A 39 -3.936 -13.599 -8.460 1.00 0.00 N ATOM 519 CA ASP A 39 -3.124 -13.703 -9.661 1.00 0.00 C ATOM 520 C ASP A 39 -4.000 -14.178 -10.823 1.00 0.00 C ATOM 521 O ASP A 39 -4.613 -15.242 -10.748 1.00 0.00 O ATOM 522 CB ASP A 39 -1.994 -14.717 -9.475 1.00 0.00 C ATOM 523 CG ASP A 39 -1.460 -15.335 -10.769 1.00 0.00 C ATOM 524 OD1 ASP A 39 -1.056 -14.545 -11.651 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.469 -16.582 -10.849 1.00 0.00 O ATOM 0 H ASP A 39 -4.775 -14.179 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.697 -12.721 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.169 -14.228 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.348 -15.518 -8.827 1.00 0.00 H new ATOM 529 N ILE A 40 -4.031 -13.367 -11.869 1.00 0.00 N ATOM 530 CA ILE A 40 -4.821 -13.690 -13.045 1.00 0.00 C ATOM 531 C ILE A 40 -4.077 -13.224 -14.297 1.00 0.00 C ATOM 532 O ILE A 40 -3.851 -12.029 -14.481 1.00 0.00 O ATOM 533 CB ILE A 40 -6.233 -13.114 -12.917 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.949 -13.685 -11.692 1.00 0.00 C ATOM 535 CG2 ILE A 40 -7.033 -13.333 -14.202 1.00 0.00 C ATOM 536 CD1 ILE A 40 -8.281 -12.971 -11.453 1.00 0.00 C ATOM 0 H ILE A 40 -3.521 -12.485 -11.927 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.949 -14.769 -13.134 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.150 -12.037 -12.769 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.124 -14.752 -11.833 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.313 -13.580 -10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.032 -12.914 -14.084 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.529 -12.840 -15.033 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.109 -14.401 -14.406 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.770 -13.396 -10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.100 -11.909 -11.288 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.924 -13.099 -12.324 1.00 0.00 H new ATOM 547 N SER A 41 -3.717 -14.192 -15.127 1.00 0.00 N ATOM 548 CA SER A 41 -3.003 -13.895 -16.358 1.00 0.00 C ATOM 549 C SER A 41 -1.737 -13.095 -16.049 1.00 0.00 C ATOM 550 O SER A 41 -1.465 -12.083 -16.692 1.00 0.00 O ATOM 551 CB SER A 41 -3.891 -13.126 -17.338 1.00 0.00 C ATOM 552 OG SER A 41 -3.808 -13.652 -18.660 1.00 0.00 O ATOM 0 H SER A 41 -3.906 -15.182 -14.972 1.00 0.00 H new ATOM 0 HA SER A 41 -2.723 -14.838 -16.827 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.925 -13.165 -16.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.597 -12.076 -17.346 1.00 0.00 H new ATOM 0 HG SER A 41 -4.390 -13.135 -19.255 1.00 0.00 H new ATOM 557 N GLY A 42 -0.995 -13.579 -15.063 1.00 0.00 N ATOM 558 CA GLY A 42 0.237 -12.921 -14.661 1.00 0.00 C ATOM 559 C GLY A 42 -0.053 -11.567 -14.011 1.00 0.00 C ATOM 560 O GLY A 42 0.869 -10.807 -13.718 1.00 0.00 O ATOM 0 H GLY A 42 -1.223 -14.419 -14.531 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.781 -13.555 -13.961 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.879 -12.781 -15.530 1.00 0.00 H new ATOM 564 N ARG A 43 -1.335 -11.306 -13.806 1.00 0.00 N ATOM 565 CA ARG A 43 -1.756 -10.057 -13.197 1.00 0.00 C ATOM 566 C ARG A 43 -2.164 -10.287 -11.740 1.00 0.00 C ATOM 567 O ARG A 43 -3.263 -10.767 -11.467 1.00 0.00 O ATOM 568 CB ARG A 43 -2.934 -9.443 -13.957 1.00 0.00 C ATOM 569 CG ARG A 43 -3.022 -7.936 -13.707 1.00 0.00 C ATOM 570 CD ARG A 43 -4.112 -7.614 -12.682 1.00 0.00 C ATOM 571 NE ARG A 43 -5.107 -6.691 -13.274 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.120 -7.083 -14.059 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.278 -8.381 -14.352 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.974 -6.176 -14.552 1.00 0.00 N ATOM 0 H ARG A 43 -2.096 -11.939 -14.051 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.912 -9.368 -13.238 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.821 -9.632 -15.024 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.862 -9.922 -13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.061 -7.566 -13.350 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.234 -7.420 -14.643 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.602 -8.533 -12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.667 -7.162 -11.795 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.016 -5.695 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.627 -9.071 -13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.049 -8.679 -14.949 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.853 -5.188 -14.330 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.745 -6.474 -15.150 1.00 0.00 H new ATOM 585 N LYS A 44 -1.255 -9.934 -10.842 1.00 0.00 N ATOM 586 CA LYS A 44 -1.506 -10.096 -9.420 1.00 0.00 C ATOM 587 C LYS A 44 -2.450 -8.991 -8.944 1.00 0.00 C ATOM 588 O LYS A 44 -2.192 -7.809 -9.170 1.00 0.00 O ATOM 589 CB LYS A 44 -0.187 -10.155 -8.646 1.00 0.00 C ATOM 590 CG LYS A 44 0.139 -11.589 -8.225 1.00 0.00 C ATOM 591 CD LYS A 44 0.365 -11.677 -6.714 1.00 0.00 C ATOM 592 CE LYS A 44 1.711 -11.060 -6.325 1.00 0.00 C ATOM 593 NZ LYS A 44 2.765 -12.097 -6.288 1.00 0.00 N ATOM 0 H LYS A 44 -0.344 -9.537 -11.072 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.004 -11.046 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.620 -9.762 -9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.251 -9.519 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.677 -12.251 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.030 -11.933 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.440 -11.161 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.334 -12.720 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.982 -10.283 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.630 -10.581 -5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.671 -11.661 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.512 -12.824 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.854 -12.536 -7.227 1.00 0.00 H new ATOM 603 N LEU A 45 -3.524 -9.413 -8.294 1.00 0.00 N ATOM 604 CA LEU A 45 -4.507 -8.474 -7.783 1.00 0.00 C ATOM 605 C LEU A 45 -4.357 -8.358 -6.265 1.00 0.00 C ATOM 606 O LEU A 45 -4.024 -9.335 -5.595 1.00 0.00 O ATOM 607 CB LEU A 45 -5.914 -8.874 -8.233 1.00 0.00 C ATOM 608 CG LEU A 45 -6.547 -7.998 -9.315 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.477 -7.406 -10.237 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.610 -8.773 -10.097 1.00 0.00 C ATOM 0 H LEU A 45 -3.735 -10.394 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.335 -7.480 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.879 -9.900 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.568 -8.869 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.050 -7.164 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.954 -6.787 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.789 -6.796 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.925 -8.213 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.044 -8.127 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.152 -9.639 -10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.393 -9.106 -9.415 1.00 0.00 H new ATOM 621 N PHE A 46 -4.610 -7.157 -5.767 1.00 0.00 N ATOM 622 CA PHE A 46 -4.507 -6.902 -4.340 1.00 0.00 C ATOM 623 C PHE A 46 -5.647 -6.001 -3.860 1.00 0.00 C ATOM 624 O PHE A 46 -5.808 -4.884 -4.348 1.00 0.00 O ATOM 625 CB PHE A 46 -3.176 -6.184 -4.109 1.00 0.00 C ATOM 626 CG PHE A 46 -1.976 -6.872 -4.766 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.703 -6.654 -6.080 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.183 -7.701 -4.035 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.590 -7.292 -6.689 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.071 -8.339 -4.644 1.00 0.00 C ATOM 631 CZ PHE A 46 0.203 -8.121 -5.958 1.00 0.00 C ATOM 0 H PHE A 46 -4.886 -6.350 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.565 -7.841 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.253 -5.166 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.997 -6.109 -3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.332 -5.996 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.400 -7.874 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.373 -7.119 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.558 -8.998 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.050 -8.606 -6.421 1.00 0.00 H new ATOM 640 N TYR A 47 -6.410 -6.522 -2.910 1.00 0.00 N ATOM 641 CA TYR A 47 -7.531 -5.780 -2.358 1.00 0.00 C ATOM 642 C TYR A 47 -7.058 -4.776 -1.306 1.00 0.00 C ATOM 643 O TYR A 47 -6.955 -5.110 -0.127 1.00 0.00 O ATOM 644 CB TYR A 47 -8.435 -6.817 -1.689 1.00 0.00 C ATOM 645 CG TYR A 47 -9.855 -6.319 -1.415 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.560 -5.664 -2.405 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.432 -6.525 -0.178 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.897 -5.197 -2.147 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.769 -6.057 0.080 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.436 -5.416 -0.917 1.00 0.00 C ATOM 651 OH TYR A 47 -13.698 -4.973 -0.673 1.00 0.00 O ATOM 0 H TYR A 47 -6.274 -7.450 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.045 -5.222 -3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.487 -7.702 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.981 -7.126 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.109 -5.502 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.880 -7.037 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.460 -4.684 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.232 -6.211 1.044 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.953 -5.200 0.246 1.00 0.00 H new ATOM 660 N VAL A 48 -6.784 -3.566 -1.769 1.00 0.00 N ATOM 661 CA VAL A 48 -6.325 -2.510 -0.882 1.00 0.00 C ATOM 662 C VAL A 48 -7.517 -1.647 -0.464 1.00 0.00 C ATOM 663 O VAL A 48 -8.520 -1.584 -1.173 1.00 0.00 O ATOM 664 CB VAL A 48 -5.212 -1.707 -1.558 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.086 -2.625 -2.037 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.765 -0.867 -2.712 1.00 0.00 C ATOM 0 H VAL A 48 -6.871 -3.293 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.896 -2.933 0.027 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.794 -1.025 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.308 -2.028 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.664 -3.158 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.483 -3.344 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.953 -0.306 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.222 -1.523 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.514 -0.173 -2.331 1.00 0.00 H new ATOM 676 N HIS A 49 -7.367 -1.005 0.685 1.00 0.00 N ATOM 677 CA HIS A 49 -8.419 -0.148 1.206 1.00 0.00 C ATOM 678 C HIS A 49 -7.941 1.305 1.212 1.00 0.00 C ATOM 679 O HIS A 49 -7.005 1.652 1.933 1.00 0.00 O ATOM 680 CB HIS A 49 -8.877 -0.628 2.585 1.00 0.00 C ATOM 681 CG HIS A 49 -10.247 -0.132 2.983 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.381 -0.377 2.230 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.652 0.595 4.064 1.00 0.00 C ATOM 684 CE1 HIS A 49 -12.416 0.183 2.838 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.962 0.785 3.974 1.00 0.00 N ATOM 0 H HIS A 49 -6.533 -1.061 1.270 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.293 -0.203 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.879 -1.718 2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.153 -0.302 3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.015 0.955 4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.440 0.166 2.494 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -12.535 1.297 4.644 1.00 0.00 H new ATOM 692 N TYR A 50 -8.604 2.117 0.402 1.00 0.00 N ATOM 693 CA TYR A 50 -8.259 3.525 0.306 1.00 0.00 C ATOM 694 C TYR A 50 -8.481 4.237 1.642 1.00 0.00 C ATOM 695 O TYR A 50 -9.558 4.778 1.889 1.00 0.00 O ATOM 696 CB TYR A 50 -9.205 4.120 -0.739 1.00 0.00 C ATOM 697 CG TYR A 50 -8.802 3.821 -2.185 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.470 3.832 -2.547 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.771 3.539 -3.127 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.092 3.550 -3.907 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.392 3.257 -4.487 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.072 3.277 -4.811 1.00 0.00 C ATOM 703 OH TYR A 50 -7.714 3.011 -6.095 1.00 0.00 O ATOM 0 H TYR A 50 -9.379 1.826 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.210 3.646 0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.210 3.735 -0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.249 5.200 -0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.712 4.052 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.813 3.530 -2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.054 3.555 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.140 3.034 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.863 2.061 -6.286 1.00 0.00 H new ATOM 712 N ILE A 51 -7.446 4.213 2.468 1.00 0.00 N ATOM 713 CA ILE A 51 -7.515 4.849 3.773 1.00 0.00 C ATOM 714 C ILE A 51 -7.475 6.368 3.596 1.00 0.00 C ATOM 715 O ILE A 51 -6.463 7.003 3.887 1.00 0.00 O ATOM 716 CB ILE A 51 -6.418 4.307 4.692 1.00 0.00 C ATOM 717 CG1 ILE A 51 -6.270 2.792 4.534 1.00 0.00 C ATOM 718 CG2 ILE A 51 -6.672 4.710 6.145 1.00 0.00 C ATOM 719 CD1 ILE A 51 -5.359 2.215 5.619 1.00 0.00 C ATOM 0 H ILE A 51 -6.555 3.763 2.259 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.457 4.609 4.265 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.470 4.756 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.251 2.319 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.860 2.564 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.878 4.312 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.688 5.797 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.631 4.308 6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.270 1.137 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.372 2.672 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.784 2.424 6.600 1.00 0.00 H new ATOM 844 N GLU A 59 -11.316 -1.826 -2.990 1.00 0.00 N ATOM 845 CA GLU A 59 -11.249 -2.177 -4.397 1.00 0.00 C ATOM 846 C GLU A 59 -9.931 -2.889 -4.705 1.00 0.00 C ATOM 847 O GLU A 59 -8.948 -2.722 -3.985 1.00 0.00 O ATOM 848 CB GLU A 59 -11.422 -0.939 -5.280 1.00 0.00 C ATOM 849 CG GLU A 59 -10.191 -0.035 -5.205 1.00 0.00 C ATOM 850 CD GLU A 59 -10.150 0.935 -6.388 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.222 1.496 -6.699 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.046 1.093 -6.953 1.00 0.00 O ATOM 0 HA GLU A 59 -12.069 -2.860 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.590 -1.245 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.305 -0.384 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.204 0.526 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.287 -0.645 -5.199 1.00 0.00 H new ATOM 857 N TRP A 60 -9.951 -3.669 -5.776 1.00 0.00 N ATOM 858 CA TRP A 60 -8.770 -4.407 -6.187 1.00 0.00 C ATOM 859 C TRP A 60 -7.884 -3.465 -7.005 1.00 0.00 C ATOM 860 O TRP A 60 -8.386 -2.579 -7.695 1.00 0.00 O ATOM 861 CB TRP A 60 -9.154 -5.677 -6.949 1.00 0.00 C ATOM 862 CG TRP A 60 -10.041 -6.637 -6.152 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.361 -6.553 -5.937 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.614 -7.834 -5.470 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.815 -7.606 -5.169 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.718 -8.410 -4.875 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.338 -8.414 -5.359 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.659 -9.592 -4.128 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.295 -9.595 -4.609 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.397 -10.187 -4.004 1.00 0.00 C ATOM 0 H TRP A 60 -10.768 -3.806 -6.372 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.207 -4.748 -5.318 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.673 -5.396 -7.866 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.245 -6.200 -7.245 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.990 -5.761 -6.317 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.778 -7.766 -4.872 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.460 -7.982 -5.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.539 -10.022 -3.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.337 -10.081 -4.492 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.281 -11.101 -3.441 1.00 0.00 H new ATOM 880 N VAL A 61 -6.582 -3.689 -6.901 1.00 0.00 N ATOM 881 CA VAL A 61 -5.622 -2.870 -7.623 1.00 0.00 C ATOM 882 C VAL A 61 -4.544 -3.772 -8.227 1.00 0.00 C ATOM 883 O VAL A 61 -4.643 -4.995 -8.161 1.00 0.00 O ATOM 884 CB VAL A 61 -5.052 -1.794 -6.696 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.142 -0.813 -6.260 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.363 -2.423 -5.484 1.00 0.00 C ATOM 0 H VAL A 61 -6.169 -4.425 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.107 -2.346 -8.447 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.301 -1.234 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.711 -0.059 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.567 -0.328 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.926 -1.353 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.967 -1.636 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.084 -3.020 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.547 -3.062 -5.821 1.00 0.00 H new ATOM 896 N THR A 62 -3.537 -3.131 -8.804 1.00 0.00 N ATOM 897 CA THR A 62 -2.442 -3.859 -9.419 1.00 0.00 C ATOM 898 C THR A 62 -1.119 -3.515 -8.731 1.00 0.00 C ATOM 899 O THR A 62 -1.075 -2.645 -7.863 1.00 0.00 O ATOM 900 CB THR A 62 -2.447 -3.543 -10.917 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.450 -2.119 -10.971 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.758 -3.945 -11.595 1.00 0.00 C ATOM 0 H THR A 62 -3.458 -2.116 -8.858 1.00 0.00 H new ATOM 0 HA THR A 62 -2.565 -4.935 -9.298 1.00 0.00 H new ATOM 0 HB THR A 62 -1.616 -4.058 -11.400 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.428 -1.827 -11.906 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.709 -3.699 -12.656 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.914 -5.017 -11.478 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.586 -3.405 -11.135 1.00 0.00 H new ATOM 910 N HIS A 63 -0.073 -4.215 -9.146 1.00 0.00 N ATOM 911 CA HIS A 63 1.247 -3.995 -8.580 1.00 0.00 C ATOM 912 C HIS A 63 1.764 -2.619 -9.003 1.00 0.00 C ATOM 913 O HIS A 63 2.316 -1.881 -8.188 1.00 0.00 O ATOM 914 CB HIS A 63 2.199 -5.130 -8.963 1.00 0.00 C ATOM 915 CG HIS A 63 3.660 -4.758 -8.886 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.618 -5.304 -9.722 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.316 -3.889 -8.065 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.795 -4.782 -9.408 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.605 -3.904 -8.381 1.00 0.00 N ATOM 0 H HIS A 63 -0.113 -4.935 -9.868 1.00 0.00 H new ATOM 0 HA HIS A 63 1.186 -4.003 -7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.016 -5.981 -8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.970 -5.455 -9.978 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.863 -3.290 -7.289 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.738 -5.011 -9.882 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.334 -3.350 -7.930 1.00 0.00 H new ATOM 926 N GLU A 64 1.566 -2.314 -10.277 1.00 0.00 N ATOM 927 CA GLU A 64 2.005 -1.039 -10.818 1.00 0.00 C ATOM 928 C GLU A 64 1.565 0.106 -9.904 1.00 0.00 C ATOM 929 O GLU A 64 2.256 1.116 -9.792 1.00 0.00 O ATOM 930 CB GLU A 64 1.481 -0.838 -12.242 1.00 0.00 C ATOM 931 CG GLU A 64 0.057 -1.380 -12.382 1.00 0.00 C ATOM 932 CD GLU A 64 -0.758 -0.534 -13.364 1.00 0.00 C ATOM 933 OE1 GLU A 64 -0.117 0.182 -14.163 1.00 0.00 O ATOM 934 OE2 GLU A 64 -2.002 -0.623 -13.293 1.00 0.00 O ATOM 0 H GLU A 64 1.107 -2.928 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 64 3.094 -1.042 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.497 0.223 -12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.138 -1.343 -12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.090 -2.413 -12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.432 -1.384 -11.408 1.00 0.00 H new ATOM 939 N ARG A 65 0.416 -0.091 -9.274 1.00 0.00 N ATOM 940 CA ARG A 65 -0.125 0.913 -8.373 1.00 0.00 C ATOM 941 C ARG A 65 0.529 0.796 -6.995 1.00 0.00 C ATOM 942 O ARG A 65 0.635 1.783 -6.269 1.00 0.00 O ATOM 943 CB ARG A 65 -1.640 0.761 -8.226 1.00 0.00 C ATOM 944 CG ARG A 65 -2.349 1.015 -9.558 1.00 0.00 C ATOM 945 CD ARG A 65 -3.831 0.646 -9.470 1.00 0.00 C ATOM 946 NE ARG A 65 -4.646 1.642 -10.200 1.00 0.00 N ATOM 947 CZ ARG A 65 -4.581 1.839 -11.524 1.00 0.00 C ATOM 948 NH1 ARG A 65 -3.739 1.110 -12.270 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.357 2.766 -12.103 1.00 0.00 N ATOM 0 H ARG A 65 -0.155 -0.931 -9.370 1.00 0.00 H new ATOM 0 HA ARG A 65 0.091 1.893 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.875 -0.242 -7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.008 1.460 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.248 2.065 -9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.872 0.432 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.992 -0.346 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.142 0.604 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.297 2.214 -9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.148 0.405 -11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.690 1.260 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.997 3.322 -11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.307 2.916 -13.111 1.00 0.00 H new ATOM 960 N LEU A 66 0.950 -0.419 -6.675 1.00 0.00 N ATOM 961 CA LEU A 66 1.590 -0.677 -5.397 1.00 0.00 C ATOM 962 C LEU A 66 2.977 -0.030 -5.386 1.00 0.00 C ATOM 963 O LEU A 66 3.803 -0.310 -6.254 1.00 0.00 O ATOM 964 CB LEU A 66 1.610 -2.178 -5.101 1.00 0.00 C ATOM 965 CG LEU A 66 0.244 -2.844 -4.922 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.359 -4.366 -5.026 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.411 -2.407 -3.610 1.00 0.00 C ATOM 0 H LEU A 66 0.860 -1.236 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 66 1.019 -0.223 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.134 -2.682 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.194 -2.342 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.406 -2.514 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.626 -4.815 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.753 -4.635 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.031 -4.734 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.380 -2.895 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.228 -2.689 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.547 -1.326 -3.614 1.00 0.00 H new ATOM 978 N ASP A 67 3.190 0.822 -4.394 1.00 0.00 N ATOM 979 CA ASP A 67 4.462 1.510 -4.259 1.00 0.00 C ATOM 980 C ASP A 67 5.243 0.905 -3.091 1.00 0.00 C ATOM 981 O ASP A 67 5.350 1.515 -2.028 1.00 0.00 O ATOM 982 CB ASP A 67 4.255 2.998 -3.968 1.00 0.00 C ATOM 983 CG ASP A 67 5.373 3.916 -4.467 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.161 3.442 -5.313 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.412 5.071 -3.991 1.00 0.00 O ATOM 0 H ASP A 67 2.503 1.051 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 67 5.007 1.398 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.316 3.314 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.149 3.131 -2.891 1.00 0.00 H new ATOM 989 N LEU A 68 5.769 -0.289 -3.328 1.00 0.00 N ATOM 990 CA LEU A 68 6.537 -0.984 -2.309 1.00 0.00 C ATOM 991 C LEU A 68 7.649 -0.064 -1.799 1.00 0.00 C ATOM 992 O LEU A 68 8.178 -0.269 -0.707 1.00 0.00 O ATOM 993 CB LEU A 68 7.044 -2.325 -2.842 1.00 0.00 C ATOM 994 CG LEU A 68 6.077 -3.098 -3.740 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.485 -4.569 -3.846 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.634 -2.936 -3.260 1.00 0.00 C ATOM 0 H LEU A 68 5.678 -0.792 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 68 5.905 -1.226 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.964 -2.148 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.303 -2.957 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 68 6.131 -2.676 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.781 -5.096 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.487 -4.639 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.478 -5.021 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.967 -3.496 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.544 -3.316 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.360 -1.881 -3.279 1.00 0.00 H new ATOM 1007 N LYS A 69 7.971 0.930 -2.613 1.00 0.00 N ATOM 1008 CA LYS A 69 9.010 1.881 -2.259 1.00 0.00 C ATOM 1009 C LYS A 69 8.544 2.720 -1.067 1.00 0.00 C ATOM 1010 O LYS A 69 9.327 3.470 -0.488 1.00 0.00 O ATOM 1011 CB LYS A 69 9.413 2.715 -3.478 1.00 0.00 C ATOM 1012 CG LYS A 69 9.791 1.816 -4.657 1.00 0.00 C ATOM 1013 CD LYS A 69 11.153 2.210 -5.231 1.00 0.00 C ATOM 1014 CE LYS A 69 11.187 2.008 -6.747 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.772 0.690 -7.082 1.00 0.00 N ATOM 0 H LYS A 69 7.530 1.097 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 69 9.914 1.358 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.589 3.369 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.255 3.357 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.816 0.776 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.030 1.889 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.364 3.253 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.936 1.613 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.177 2.078 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.772 2.801 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.787 0.569 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.743 0.637 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.197 -0.064 -6.654 1.00 0.00 H new ATOM 1025 N LYS A 70 7.270 2.564 -0.738 1.00 0.00 N ATOM 1026 CA LYS A 70 6.690 3.297 0.374 1.00 0.00 C ATOM 1027 C LYS A 70 5.828 2.348 1.211 1.00 0.00 C ATOM 1028 O LYS A 70 4.900 2.784 1.890 1.00 0.00 O ATOM 1029 CB LYS A 70 5.936 4.529 -0.131 1.00 0.00 C ATOM 1030 CG LYS A 70 6.875 5.478 -0.877 1.00 0.00 C ATOM 1031 CD LYS A 70 6.546 6.938 -0.558 1.00 0.00 C ATOM 1032 CE LYS A 70 7.420 7.889 -1.376 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.593 8.665 -2.327 1.00 0.00 N ATOM 0 H LYS A 70 6.624 1.941 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 70 7.473 3.678 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.126 4.219 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.479 5.050 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.908 5.265 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.791 5.309 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.495 7.132 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.697 7.124 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.952 8.568 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.175 7.321 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.202 9.306 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.105 8.014 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.889 9.222 -1.801 1.00 0.00 H new ATOM 1043 N ILE A 71 6.167 1.069 1.134 1.00 0.00 N ATOM 1044 CA ILE A 71 5.437 0.056 1.876 1.00 0.00 C ATOM 1045 C ILE A 71 5.698 0.238 3.372 1.00 0.00 C ATOM 1046 O ILE A 71 6.681 0.865 3.763 1.00 0.00 O ATOM 1047 CB ILE A 71 5.781 -1.340 1.356 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.514 -2.124 1.008 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.665 -2.093 2.352 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.833 -3.600 0.760 1.00 0.00 C ATOM 0 H ILE A 71 6.937 0.712 0.569 1.00 0.00 H new ATOM 0 HA ILE A 71 4.364 0.171 1.724 1.00 0.00 H new ATOM 0 HB ILE A 71 6.354 -1.230 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.793 -2.036 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.049 -1.695 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.895 -3.083 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.591 -1.540 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.139 -2.194 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.915 -4.134 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.536 -3.686 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.276 -4.032 1.657 1.00 0.00 H new ATOM 1061 N GLN A 72 4.800 -0.323 4.170 1.00 0.00 N ATOM 1062 CA GLN A 72 4.922 -0.231 5.615 1.00 0.00 C ATOM 1063 C GLN A 72 4.419 -1.517 6.273 1.00 0.00 C ATOM 1064 O GLN A 72 3.436 -1.497 7.012 1.00 0.00 O ATOM 1065 CB GLN A 72 4.173 0.990 6.152 1.00 0.00 C ATOM 1066 CG GLN A 72 4.805 2.287 5.646 1.00 0.00 C ATOM 1067 CD GLN A 72 3.877 3.480 5.886 1.00 0.00 C ATOM 1068 OE1 GLN A 72 3.564 4.247 4.990 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.454 3.593 7.143 1.00 0.00 N ATOM 0 H GLN A 72 3.985 -0.843 3.843 1.00 0.00 H new ATOM 0 HA GLN A 72 5.976 -0.107 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.129 0.945 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.184 0.977 7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.756 2.454 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.022 2.199 4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.754 2.916 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.830 4.356 7.404 1.00 0.00 H new ATOM 1076 N PHE A 73 5.114 -2.606 5.979 1.00 0.00 N ATOM 1077 CA PHE A 73 4.750 -3.899 6.533 1.00 0.00 C ATOM 1078 C PHE A 73 4.265 -3.760 7.978 1.00 0.00 C ATOM 1079 O PHE A 73 4.641 -2.819 8.674 1.00 0.00 O ATOM 1080 CB PHE A 73 6.010 -4.766 6.511 1.00 0.00 C ATOM 1081 CG PHE A 73 6.250 -5.483 5.181 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.826 -4.816 4.145 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.886 -6.784 5.035 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.049 -5.482 2.910 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.109 -7.450 3.800 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.686 -6.784 2.763 1.00 0.00 C ATOM 0 H PHE A 73 5.928 -2.619 5.364 1.00 0.00 H new ATOM 0 HA PHE A 73 3.943 -4.340 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.873 -4.140 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.941 -5.509 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.113 -3.781 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.427 -7.312 5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.507 -4.954 2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.821 -8.484 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.855 -7.289 1.824 1.00 0.00 H new ATOM 1095 N PRO A 74 3.414 -4.736 8.395 1.00 0.00 N ATOM 1096 CA PRO A 74 2.874 -4.731 9.744 1.00 0.00 C ATOM 1097 C PRO A 74 3.932 -5.169 10.759 1.00 0.00 C ATOM 1098 O PRO A 74 4.846 -5.921 10.424 1.00 0.00 O ATOM 1099 CB PRO A 74 1.678 -5.666 9.692 1.00 0.00 C ATOM 1100 CG PRO A 74 1.866 -6.516 8.446 1.00 0.00 C ATOM 1101 CD PRO A 74 2.947 -5.866 7.597 1.00 0.00 C ATOM 0 HA PRO A 74 2.571 -3.737 10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.630 -6.288 10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.745 -5.104 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.153 -7.532 8.717 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.933 -6.586 7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.757 -6.563 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.551 -5.536 6.636 1.00 0.00 H new