USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 568 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 44 THR OG1 : rot 116:sc= 0.732 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.651 USER MOD Set 2.1: A 51 THR OG1 : rot -108:sc= 0.436 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.523 X(o=1.2,f=1.6) USER MOD Set 2.3: A 54 TYR OH : rot 22:sc= 1.24 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.863 F(o=-3.2!,f=-0.86) USER MOD Single : A 16 ASN : amide:sc= 0.0674 X(o=0.067,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0181 F(o=-1.1,f=-0.018) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 27 THR OG1 : rot 27:sc= 0.0832 USER MOD Single : A 28 CYS SG : rot 120:sc= -0.792 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.663 (180deg=0.634) USER MOD Single : A 35 TYR OH : rot 2:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 43:sc= 1.26 USER MOD Single : A 39 CYS SG : rot 85:sc= -2.03 USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= 0.292 (180deg=0.0188) USER MOD Single : A 43 ASN : amide:sc= -0.0279 K(o=-0.028,f=-5.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 54:sc= -0.755 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N ALA A 5 4.714 -8.577 9.100 1.00 0.00 N ATOM 62 CA ALA A 5 3.733 -9.022 8.105 1.00 0.00 C ATOM 63 C ALA A 5 3.583 -7.992 6.985 1.00 0.00 C ATOM 64 O ALA A 5 3.439 -8.358 5.824 1.00 0.00 O ATOM 65 CB ALA A 5 2.414 -9.271 8.852 1.00 0.00 C ATOM 0 HA ALA A 5 4.058 -9.941 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.654 -9.605 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.565 -10.038 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.086 -8.347 9.329 1.00 0.00 H new ATOM 71 N VAL A 6 3.615 -6.695 7.331 1.00 0.00 N ATOM 72 CA VAL A 6 3.547 -5.585 6.378 1.00 0.00 C ATOM 73 C VAL A 6 4.781 -5.580 5.478 1.00 0.00 C ATOM 74 O VAL A 6 4.690 -5.296 4.292 1.00 0.00 O ATOM 75 CB VAL A 6 3.337 -4.241 7.113 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.633 -3.554 7.565 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.511 -3.318 6.220 1.00 0.00 C ATOM 0 H VAL A 6 3.690 -6.387 8.300 1.00 0.00 H new ATOM 0 HA VAL A 6 2.681 -5.723 5.731 1.00 0.00 H new ATOM 0 HB VAL A 6 2.806 -4.462 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.392 -2.619 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.172 -4.209 8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.257 -3.346 6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.355 -2.366 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.041 -3.148 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.546 -3.781 6.012 1.00 0.00 H new ATOM 87 N GLN A 7 5.917 -5.960 6.057 1.00 0.00 N ATOM 88 CA GLN A 7 7.217 -5.996 5.407 1.00 0.00 C ATOM 89 C GLN A 7 7.237 -7.062 4.303 1.00 0.00 C ATOM 90 O GLN A 7 7.501 -6.754 3.146 1.00 0.00 O ATOM 91 CB GLN A 7 8.264 -6.297 6.504 1.00 0.00 C ATOM 92 CG GLN A 7 9.696 -6.552 6.011 1.00 0.00 C ATOM 93 CD GLN A 7 10.270 -5.271 5.435 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.644 -4.716 4.420 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.244 -4.703 5.917 1.00 0.00 N flip ATOM 0 H GLN A 7 5.955 -6.263 7.030 1.00 0.00 H new ATOM 0 HA GLN A 7 7.441 -5.044 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.284 -5.459 7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.933 -7.170 7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.318 -6.903 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.697 -7.336 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.740 -5.121 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.558 -3.813 5.531 1.00 0.00 H new ATOM 104 N ASP A 8 6.857 -8.255 4.733 1.00 0.00 N ATOM 105 CA ASP A 8 6.637 -9.494 3.997 1.00 0.00 C ATOM 106 C ASP A 8 5.626 -9.311 2.870 1.00 0.00 C ATOM 107 O ASP A 8 5.819 -9.806 1.766 1.00 0.00 O ATOM 108 CB ASP A 8 6.171 -10.512 5.037 1.00 0.00 C ATOM 109 CG ASP A 8 5.706 -11.849 4.496 1.00 0.00 C ATOM 110 OD1 ASP A 8 4.491 -12.004 4.255 1.00 0.00 O ATOM 111 OD2 ASP A 8 6.536 -12.776 4.493 1.00 0.00 O1- ATOM 0 H ASP A 8 6.673 -8.396 5.726 1.00 0.00 H new ATOM 0 HA ASP A 8 7.546 -9.832 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.989 -10.690 5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.355 -10.070 5.609 1.00 0.00 H new ATOM 116 N PHE A 9 4.526 -8.588 3.112 1.00 0.00 N ATOM 117 CA PHE A 9 3.619 -8.199 2.038 1.00 0.00 C ATOM 118 C PHE A 9 4.301 -7.212 1.074 1.00 0.00 C ATOM 119 O PHE A 9 4.235 -7.395 -0.139 1.00 0.00 O ATOM 120 CB PHE A 9 2.365 -7.524 2.615 1.00 0.00 C ATOM 121 CG PHE A 9 1.536 -6.918 1.488 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.823 -7.755 0.612 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.690 -5.550 1.179 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.242 -7.204 -0.542 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.055 -5.003 0.057 1.00 0.00 C ATOM 126 CZ PHE A 9 0.326 -5.831 -0.803 1.00 0.00 C ATOM 0 H PHE A 9 4.248 -8.264 4.038 1.00 0.00 H new ATOM 0 HA PHE A 9 3.342 -9.104 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.769 -8.253 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.653 -6.748 3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.723 -8.809 0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.300 -4.922 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.276 -7.848 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.128 -3.944 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.171 -5.412 -1.666 1.00 0.00 H new ATOM 136 N VAL A 10 4.928 -6.171 1.630 1.00 0.00 N ATOM 137 CA VAL A 10 5.554 -5.091 0.835 1.00 0.00 C ATOM 138 C VAL A 10 6.519 -5.609 -0.234 1.00 0.00 C ATOM 139 O VAL A 10 6.374 -5.213 -1.392 1.00 0.00 O ATOM 140 CB VAL A 10 6.186 -4.009 1.739 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.231 -3.117 1.056 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.089 -3.067 2.255 1.00 0.00 C ATOM 0 H VAL A 10 5.020 -6.046 2.638 1.00 0.00 H new ATOM 0 HA VAL A 10 4.748 -4.610 0.281 1.00 0.00 H new ATOM 0 HB VAL A 10 6.688 -4.570 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.614 -2.391 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.052 -3.733 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.770 -2.592 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.535 -2.304 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.593 -2.589 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.359 -3.638 2.829 1.00 0.00 H new ATOM 152 N VAL A 11 7.472 -6.481 0.128 1.00 0.00 N ATOM 153 CA VAL A 11 8.536 -7.030 -0.757 1.00 0.00 C ATOM 154 C VAL A 11 8.021 -7.648 -2.088 1.00 0.00 C ATOM 155 O VAL A 11 8.786 -7.779 -3.044 1.00 0.00 O ATOM 156 CB VAL A 11 9.448 -8.057 -0.071 1.00 0.00 C ATOM 157 CG1 VAL A 11 10.442 -7.413 0.910 1.00 0.00 C ATOM 158 CG2 VAL A 11 8.563 -9.051 0.632 1.00 0.00 C ATOM 0 H VAL A 11 7.534 -6.843 1.080 1.00 0.00 H new ATOM 0 HA VAL A 11 9.114 -6.137 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 11 10.063 -8.547 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.059 -8.188 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.079 -6.710 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.893 -6.884 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.180 -9.798 1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.950 -8.534 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.917 -9.542 -0.096 1.00 0.00 H new ATOM 168 N ASP A 12 6.738 -8.031 -2.109 1.00 0.00 N ATOM 169 CA ASP A 12 6.015 -8.750 -3.173 1.00 0.00 C ATOM 170 C ASP A 12 5.858 -7.857 -4.397 1.00 0.00 C ATOM 171 O ASP A 12 6.411 -8.180 -5.435 1.00 0.00 O ATOM 172 CB ASP A 12 4.680 -9.277 -2.602 1.00 0.00 C ATOM 173 CG ASP A 12 4.131 -10.546 -3.256 1.00 0.00 C ATOM 174 OD1 ASP A 12 2.892 -10.666 -3.408 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.902 -11.511 -3.437 1.00 0.00 O1- ATOM 0 H ASP A 12 6.126 -7.831 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 12 6.579 -9.618 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.812 -9.468 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.931 -8.490 -2.694 1.00 0.00 H new ATOM 180 N ILE A 13 5.268 -6.672 -4.217 1.00 0.00 N ATOM 181 CA ILE A 13 5.343 -5.513 -5.144 1.00 0.00 C ATOM 182 C ILE A 13 6.810 -5.234 -5.410 1.00 0.00 C ATOM 183 O ILE A 13 7.216 -5.001 -6.544 1.00 0.00 O ATOM 184 CB ILE A 13 4.751 -4.256 -4.506 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.239 -4.301 -4.283 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.074 -3.055 -5.427 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.725 -5.422 -3.385 1.00 0.00 C ATOM 0 H ILE A 13 4.700 -6.474 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 13 4.788 -5.750 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 13 5.200 -4.170 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.927 -3.348 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.752 -4.389 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.662 -2.143 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.155 -2.953 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.633 -3.221 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.640 -5.352 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.994 -6.386 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.172 -5.330 -2.395 1.00 0.00 H new ATOM 199 N LEU A 14 7.563 -5.155 -4.310 1.00 0.00 N ATOM 200 CA LEU A 14 8.811 -4.423 -4.245 1.00 0.00 C ATOM 201 C LEU A 14 9.890 -4.946 -5.208 1.00 0.00 C ATOM 202 O LEU A 14 10.433 -4.197 -6.019 1.00 0.00 O ATOM 203 CB LEU A 14 9.294 -4.503 -2.781 1.00 0.00 C ATOM 204 CG LEU A 14 9.813 -3.211 -2.143 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.574 -3.573 -0.860 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.724 -2.480 -3.131 1.00 0.00 C ATOM 0 H LEU A 14 7.311 -5.608 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 14 8.636 -3.395 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.468 -4.872 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.087 -5.248 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 14 8.984 -2.548 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.951 -2.664 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.902 -4.084 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.410 -4.228 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.092 -1.561 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.568 -3.120 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.162 -2.238 -4.033 1.00 0.00 H new ATOM 218 N LEU A 15 10.267 -6.209 -5.011 1.00 0.00 N ATOM 219 CA LEU A 15 11.291 -6.930 -5.766 1.00 0.00 C ATOM 220 C LEU A 15 10.655 -7.916 -6.752 1.00 0.00 C ATOM 221 O LEU A 15 11.055 -7.962 -7.921 1.00 0.00 O ATOM 222 CB LEU A 15 12.182 -7.694 -4.765 1.00 0.00 C ATOM 223 CG LEU A 15 12.874 -6.847 -3.675 1.00 0.00 C ATOM 224 CD1 LEU A 15 13.705 -7.762 -2.759 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.765 -5.751 -4.277 1.00 0.00 C ATOM 0 H LEU A 15 9.845 -6.786 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 15 11.884 -6.219 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.571 -8.451 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.952 -8.222 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 15 12.097 -6.351 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.192 -7.162 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.051 -8.495 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.461 -8.278 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.232 -5.180 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.538 -6.209 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.158 -5.085 -4.891 1.00 0.00 H new ATOM 237 N ASN A 16 9.643 -8.665 -6.280 1.00 0.00 N ATOM 238 CA ASN A 16 8.930 -9.675 -7.049 1.00 0.00 C ATOM 239 C ASN A 16 7.926 -9.044 -8.048 1.00 0.00 C ATOM 240 O ASN A 16 7.490 -9.741 -8.967 1.00 0.00 O ATOM 241 CB ASN A 16 8.266 -10.748 -6.153 1.00 0.00 C ATOM 242 CG ASN A 16 9.127 -11.248 -4.987 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.797 -12.262 -5.066 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.117 -10.580 -3.854 1.00 0.00 N ATOM 0 H ASN A 16 9.296 -8.574 -5.325 1.00 0.00 H new ATOM 0 HA ASN A 16 9.682 -10.197 -7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.339 -10.339 -5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.995 -11.601 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.664 -10.913 -3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.562 -9.729 -3.769 1.00 0.00 H new ATOM 251 N GLY A 17 7.605 -7.741 -7.896 1.00 0.00 N ATOM 252 CA GLY A 17 6.651 -6.980 -8.728 1.00 0.00 C ATOM 253 C GLY A 17 5.202 -6.999 -8.238 1.00 0.00 C ATOM 254 O GLY A 17 4.683 -7.981 -7.701 1.00 0.00 O ATOM 0 H GLY A 17 8.020 -7.169 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.986 -5.944 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.680 -7.378 -9.742 1.00 0.00 H new ATOM 258 N ALA A 18 4.503 -5.902 -8.529 1.00 0.00 N ATOM 259 CA ALA A 18 3.057 -5.824 -8.390 1.00 0.00 C ATOM 260 C ALA A 18 2.328 -6.700 -9.432 1.00 0.00 C ATOM 261 O ALA A 18 2.903 -7.407 -10.259 1.00 0.00 O ATOM 262 CB ALA A 18 2.646 -4.344 -8.443 1.00 0.00 C ATOM 0 H ALA A 18 4.930 -5.041 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 18 2.752 -6.233 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.564 -4.263 -8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.129 -3.803 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.953 -3.915 -9.397 1.00 0.00 H new ATOM 268 N ARG A 19 1.007 -6.568 -9.409 1.00 0.00 N ATOM 269 CA ARG A 19 0.186 -6.530 -10.624 1.00 0.00 C ATOM 270 C ARG A 19 0.619 -5.410 -11.577 1.00 0.00 C ATOM 271 O ARG A 19 1.689 -4.825 -11.525 1.00 0.00 O ATOM 272 CB ARG A 19 -1.313 -6.464 -10.227 1.00 0.00 C ATOM 273 CG ARG A 19 -1.732 -7.374 -9.070 1.00 0.00 C ATOM 274 CD ARG A 19 -1.312 -8.844 -9.201 1.00 0.00 C ATOM 275 NE ARG A 19 -1.910 -9.426 -10.404 1.00 0.00 N ATOM 276 CZ ARG A 19 -1.541 -10.524 -11.027 1.00 0.00 C ATOM 277 NH1 ARG A 19 -0.435 -11.137 -10.718 1.00 0.00 N ATOM 278 NH2 ARG A 19 -2.244 -11.065 -11.994 1.00 0.00 N ATOM 0 H ARG A 19 0.469 -6.484 -8.547 1.00 0.00 H new ATOM 0 HA ARG A 19 0.338 -7.448 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.555 -5.435 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.913 -6.718 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.312 -6.975 -8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.817 -7.331 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.226 -8.918 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.629 -9.402 -8.320 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.702 -8.923 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.164 -10.767 -9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.168 -11.987 -11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.118 -10.633 -12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.916 -11.918 -12.447 1.00 0.00 H new ATOM 292 N ASP A 20 -0.352 -5.112 -12.404 1.00 0.00 N ATOM 293 CA ASP A 20 -0.601 -3.964 -13.261 1.00 0.00 C ATOM 294 C ASP A 20 -0.344 -2.533 -12.689 1.00 0.00 C ATOM 295 O ASP A 20 -0.845 -1.543 -13.231 1.00 0.00 O ATOM 296 CB ASP A 20 -2.082 -4.168 -13.594 1.00 0.00 C ATOM 297 CG ASP A 20 -2.344 -5.243 -14.649 1.00 0.00 C ATOM 298 OD1 ASP A 20 -1.765 -5.221 -15.721 1.00 0.00 O ATOM 299 OD2 ASP A 20 -3.199 -6.141 -14.318 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.115 -5.780 -12.511 1.00 0.00 H new ATOM 0 HA ASP A 20 0.107 -3.956 -14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.615 -4.433 -12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.498 -3.223 -13.943 1.00 0.00 H new ATOM 304 N TRP A 21 0.297 -2.413 -11.527 1.00 0.00 N ATOM 305 CA TRP A 21 0.735 -1.184 -10.908 1.00 0.00 C ATOM 306 C TRP A 21 2.167 -0.865 -11.357 1.00 0.00 C ATOM 307 O TRP A 21 2.973 -1.737 -11.690 1.00 0.00 O ATOM 308 CB TRP A 21 0.672 -1.301 -9.371 1.00 0.00 C ATOM 309 CG TRP A 21 -0.668 -1.624 -8.770 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.571 -2.560 -9.167 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.371 -0.827 -7.779 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.767 -2.367 -8.498 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.710 -1.278 -7.656 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.047 0.363 -7.121 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.660 -0.589 -6.895 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.998 1.090 -6.386 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.290 0.595 -6.247 1.00 0.00 C ATOM 0 H TRP A 21 0.535 -3.230 -10.965 1.00 0.00 H new ATOM 0 HA TRP A 21 0.072 -0.376 -11.217 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.378 -2.071 -9.060 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.018 -0.360 -8.944 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.383 -3.336 -9.894 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.590 -2.958 -8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.035 0.735 -7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.668 -0.967 -6.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.726 2.031 -5.930 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.008 1.125 -5.639 1.00 0.00 H new ATOM 328 N ASP A 22 2.472 0.421 -11.289 1.00 0.00 N ATOM 329 CA ASP A 22 3.826 0.958 -11.423 1.00 0.00 C ATOM 330 C ASP A 22 4.491 0.773 -10.058 1.00 0.00 C ATOM 331 O ASP A 22 3.804 0.793 -9.039 1.00 0.00 O ATOM 332 CB ASP A 22 3.831 2.448 -11.846 1.00 0.00 C ATOM 333 CG ASP A 22 2.968 2.887 -13.046 1.00 0.00 C ATOM 334 OD1 ASP A 22 2.475 4.046 -12.992 1.00 0.00 O ATOM 335 OD2 ASP A 22 2.908 2.181 -14.074 1.00 0.00 O1- ATOM 0 H ASP A 22 1.769 1.144 -11.135 1.00 0.00 H new ATOM 0 HA ASP A 22 4.366 0.433 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.518 3.036 -10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.863 2.725 -12.064 1.00 0.00 H new ATOM 340 N VAL A 23 5.801 0.550 -10.014 1.00 0.00 N ATOM 341 CA VAL A 23 6.508 0.198 -8.784 1.00 0.00 C ATOM 342 C VAL A 23 7.301 1.425 -8.447 1.00 0.00 C ATOM 343 O VAL A 23 8.268 1.790 -9.116 1.00 0.00 O ATOM 344 CB VAL A 23 7.366 -1.082 -8.944 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.261 -1.329 -7.717 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.470 -2.318 -9.152 1.00 0.00 C ATOM 0 H VAL A 23 6.406 0.608 -10.833 1.00 0.00 H new ATOM 0 HA VAL A 23 5.831 -0.065 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 23 7.998 -0.926 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.846 -2.236 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.934 -0.482 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.638 -1.444 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.094 -3.205 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.813 -2.441 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.868 -2.184 -10.051 1.00 0.00 H new ATOM 356 N LEU A 24 6.747 2.095 -7.453 1.00 0.00 N ATOM 357 CA LEU A 24 7.070 3.465 -7.133 1.00 0.00 C ATOM 358 C LEU A 24 7.461 3.579 -5.675 1.00 0.00 C ATOM 359 O LEU A 24 6.633 3.518 -4.771 1.00 0.00 O ATOM 360 CB LEU A 24 5.868 4.341 -7.450 1.00 0.00 C ATOM 361 CG LEU A 24 5.756 5.055 -8.809 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.582 6.345 -8.778 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.182 4.215 -10.011 1.00 0.00 C ATOM 0 H LEU A 24 6.045 1.689 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 24 7.918 3.799 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.979 3.720 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.818 5.109 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 24 4.694 5.260 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.503 6.851 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.205 6.999 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.626 6.104 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.069 4.801 -10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.225 3.919 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.557 3.324 -10.072 1.00 0.00 H new ATOM 375 N GLN A 25 8.737 3.822 -5.454 1.00 0.00 N ATOM 376 CA GLN A 25 9.265 4.043 -4.116 1.00 0.00 C ATOM 377 C GLN A 25 9.253 5.516 -3.760 1.00 0.00 C ATOM 378 O GLN A 25 10.234 6.265 -3.861 1.00 0.00 O ATOM 379 CB GLN A 25 10.606 3.357 -3.895 1.00 0.00 C ATOM 380 CG GLN A 25 10.321 1.894 -3.554 1.00 0.00 C ATOM 381 CD GLN A 25 10.262 0.947 -4.761 1.00 0.00 C ATOM 382 OE1 GLN A 25 9.211 0.175 -4.870 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 11.147 0.913 -5.596 1.00 0.00 N flip ATOM 0 H GLN A 25 9.439 3.873 -6.193 1.00 0.00 H new ATOM 0 HA GLN A 25 8.594 3.557 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.226 3.429 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.155 3.840 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.092 1.539 -2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.372 1.839 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.962 1.519 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.074 0.278 -6.391 1.00 0.00 H new ATOM 392 N THR A 26 8.080 5.876 -3.241 1.00 0.00 N ATOM 393 CA THR A 26 7.744 7.218 -2.749 1.00 0.00 C ATOM 394 C THR A 26 6.863 7.139 -1.489 1.00 0.00 C ATOM 395 O THR A 26 6.712 6.072 -0.897 1.00 0.00 O ATOM 396 CB THR A 26 7.275 8.117 -3.912 1.00 0.00 C ATOM 397 OG1 THR A 26 7.108 9.443 -3.490 1.00 0.00 O ATOM 398 CG2 THR A 26 5.964 7.725 -4.584 1.00 0.00 C ATOM 0 H THR A 26 7.306 5.218 -3.147 1.00 0.00 H new ATOM 0 HA THR A 26 8.627 7.740 -2.380 1.00 0.00 H new ATOM 0 HB THR A 26 8.076 7.991 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.812 9.992 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.740 8.430 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.054 6.721 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.159 7.743 -3.849 1.00 0.00 H new ATOM 406 N THR A 27 6.438 8.277 -0.959 1.00 0.00 N ATOM 407 CA THR A 27 5.717 8.428 0.306 1.00 0.00 C ATOM 408 C THR A 27 4.617 9.439 0.059 1.00 0.00 C ATOM 409 O THR A 27 4.865 10.460 -0.575 1.00 0.00 O ATOM 410 CB THR A 27 6.664 8.904 1.413 1.00 0.00 C ATOM 411 OG1 THR A 27 7.397 10.017 0.947 1.00 0.00 O ATOM 412 CG2 THR A 27 7.650 7.811 1.840 1.00 0.00 C ATOM 0 H THR A 27 6.594 9.172 -1.423 1.00 0.00 H new ATOM 0 HA THR A 27 5.300 7.477 0.637 1.00 0.00 H new ATOM 0 HB THR A 27 6.055 9.167 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.882 10.482 0.255 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.300 8.195 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.098 6.949 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.254 7.511 0.984 1.00 0.00 H new ATOM 420 N CYS A 28 3.430 9.172 0.580 1.00 0.00 N ATOM 421 CA CYS A 28 2.196 9.917 0.370 1.00 0.00 C ATOM 422 C CYS A 28 1.742 10.585 1.649 1.00 0.00 C ATOM 423 O CYS A 28 2.062 10.063 2.714 1.00 0.00 O ATOM 424 CB CYS A 28 1.183 8.890 -0.115 1.00 0.00 C ATOM 425 SG CYS A 28 -0.543 9.416 0.025 1.00 0.00 S ATOM 0 H CYS A 28 3.293 8.376 1.203 1.00 0.00 H new ATOM 0 HA CYS A 28 2.324 10.721 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.394 8.654 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.317 7.970 0.454 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.091 9.423 -1.154 1.00 0.00 H new ATOM 431 N THR A 29 0.933 11.647 1.553 1.00 0.00 N ATOM 432 CA THR A 29 0.360 12.332 2.719 1.00 0.00 C ATOM 433 C THR A 29 -1.159 12.393 2.728 1.00 0.00 C ATOM 434 O THR A 29 -1.755 13.011 1.856 1.00 0.00 O ATOM 435 CB THR A 29 0.846 13.797 2.836 1.00 0.00 C ATOM 436 OG1 THR A 29 2.190 13.987 2.473 1.00 0.00 O ATOM 437 CG2 THR A 29 0.614 14.385 4.231 1.00 0.00 C ATOM 0 H THR A 29 0.656 12.057 0.661 1.00 0.00 H new ATOM 0 HA THR A 29 0.706 11.722 3.554 1.00 0.00 H new ATOM 0 HB THR A 29 0.231 14.332 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.424 14.934 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.973 15.414 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.451 14.367 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.155 13.793 4.970 1.00 0.00 H new ATOM 445 N VAL A 30 -1.726 11.823 3.787 1.00 0.00 N ATOM 446 CA VAL A 30 -3.196 11.732 4.078 1.00 0.00 C ATOM 447 C VAL A 30 -3.430 11.390 5.563 1.00 0.00 C ATOM 448 O VAL A 30 -2.510 10.885 6.194 1.00 0.00 O ATOM 449 CB VAL A 30 -3.984 10.758 3.140 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.501 10.834 3.406 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.861 11.037 1.635 1.00 0.00 C ATOM 0 H VAL A 30 -1.165 11.383 4.516 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.604 12.720 3.864 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.532 9.794 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.022 10.147 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.703 10.559 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.852 11.850 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.446 10.303 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.235 12.038 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.815 10.968 1.336 1.00 0.00 H new ATOM 461 N ASP A 31 -4.597 11.703 6.170 1.00 0.00 N ATOM 462 CA ASP A 31 -4.959 11.333 7.575 1.00 0.00 C ATOM 463 C ASP A 31 -4.189 12.201 8.599 1.00 0.00 C ATOM 464 O ASP A 31 -4.045 11.846 9.766 1.00 0.00 O ATOM 465 CB ASP A 31 -4.678 9.822 7.821 1.00 0.00 C ATOM 466 CG ASP A 31 -5.713 8.977 8.590 1.00 0.00 C ATOM 467 OD1 ASP A 31 -6.901 9.361 8.702 1.00 0.00 O ATOM 468 OD2 ASP A 31 -5.355 7.844 8.971 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.332 12.229 5.697 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.024 11.521 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.531 9.354 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.732 9.748 8.357 1.00 0.00 H new ATOM 473 N ARG A 32 -3.652 13.319 8.094 1.00 0.00 N ATOM 474 CA ARG A 32 -2.621 14.185 8.709 1.00 0.00 C ATOM 475 C ARG A 32 -1.288 13.441 8.952 1.00 0.00 C ATOM 476 O ARG A 32 -0.454 13.833 9.774 1.00 0.00 O ATOM 477 CB ARG A 32 -3.132 14.857 9.995 1.00 0.00 C ATOM 478 CG ARG A 32 -4.396 15.694 9.759 1.00 0.00 C ATOM 479 CD ARG A 32 -4.840 16.314 11.080 1.00 0.00 C ATOM 480 NE ARG A 32 -6.114 17.026 10.943 1.00 0.00 N ATOM 481 CZ ARG A 32 -7.134 16.974 11.791 1.00 0.00 C ATOM 482 NH1 ARG A 32 -7.151 16.236 12.885 1.00 0.00 N ATOM 483 NH2 ARG A 32 -8.170 17.739 11.553 1.00 0.00 N ATOM 0 H ARG A 32 -3.942 13.672 7.182 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.413 14.973 7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.341 14.092 10.742 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.349 15.495 10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.198 16.475 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.190 15.068 9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.939 15.533 11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.074 17.004 11.434 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.227 17.617 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.345 15.658 13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.970 16.244 13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.176 18.350 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.971 17.724 12.184 1.00 0.00 H new ATOM 497 N LYS A 33 -1.072 12.343 8.229 1.00 0.00 N ATOM 498 CA LYS A 33 0.013 11.395 8.370 1.00 0.00 C ATOM 499 C LYS A 33 0.689 11.225 7.002 1.00 0.00 C ATOM 500 O LYS A 33 0.109 11.527 5.959 1.00 0.00 O ATOM 501 CB LYS A 33 -0.559 10.072 8.937 1.00 0.00 C ATOM 502 CG LYS A 33 0.545 9.041 9.223 1.00 0.00 C ATOM 503 CD LYS A 33 0.208 8.078 10.375 1.00 0.00 C ATOM 504 CE LYS A 33 -0.086 6.711 9.784 1.00 0.00 C ATOM 505 NZ LYS A 33 -0.618 5.767 10.777 1.00 0.00 N ATOM 0 H LYS A 33 -1.705 12.080 7.473 1.00 0.00 H new ATOM 0 HA LYS A 33 0.774 11.743 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.108 10.279 9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.272 9.652 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.731 8.461 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.469 9.568 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.041 8.018 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.653 8.443 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.803 6.818 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.828 6.302 9.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.959 4.911 10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.133 5.510 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.405 6.211 11.291 1.00 0.00 H new ATOM 519 N VAL A 34 1.923 10.753 6.982 1.00 0.00 N ATOM 520 CA VAL A 34 2.529 10.227 5.767 1.00 0.00 C ATOM 521 C VAL A 34 2.618 8.708 5.892 1.00 0.00 C ATOM 522 O VAL A 34 2.937 8.161 6.945 1.00 0.00 O ATOM 523 CB VAL A 34 3.877 10.910 5.511 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.861 10.184 4.576 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.689 12.337 4.990 1.00 0.00 C ATOM 0 H VAL A 34 2.531 10.722 7.800 1.00 0.00 H new ATOM 0 HA VAL A 34 1.919 10.447 4.891 1.00 0.00 H new ATOM 0 HB VAL A 34 4.337 10.891 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.773 10.773 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.103 9.205 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.405 10.059 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.664 12.793 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.131 12.312 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.138 12.923 5.726 1.00 0.00 H new ATOM 535 N TYR A 35 2.337 8.069 4.770 1.00 0.00 N ATOM 536 CA TYR A 35 2.492 6.646 4.512 1.00 0.00 C ATOM 537 C TYR A 35 3.548 6.444 3.448 1.00 0.00 C ATOM 538 O TYR A 35 3.814 7.335 2.636 1.00 0.00 O ATOM 539 CB TYR A 35 1.186 6.081 3.966 1.00 0.00 C ATOM 540 CG TYR A 35 0.018 6.328 4.855 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.218 5.435 5.908 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.748 7.497 4.690 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.243 5.705 6.823 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.773 7.759 5.617 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.020 6.867 6.687 1.00 0.00 C ATOM 546 OH TYR A 35 -2.965 7.103 7.636 1.00 0.00 O ATOM 0 H TYR A 35 1.969 8.564 3.958 1.00 0.00 H new ATOM 0 HA TYR A 35 2.771 6.148 5.441 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.989 6.521 2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.298 5.007 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.386 4.546 6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.554 8.176 3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.436 5.019 7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.376 8.648 5.511 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.925 6.402 8.319 1.00 0.00 H new ATOM 556 N LYS A 36 4.092 5.240 3.319 1.00 0.00 N ATOM 557 CA LYS A 36 5.070 4.946 2.303 1.00 0.00 C ATOM 558 C LYS A 36 4.439 4.079 1.227 1.00 0.00 C ATOM 559 O LYS A 36 3.843 3.066 1.578 1.00 0.00 O ATOM 560 CB LYS A 36 6.274 4.269 2.952 1.00 0.00 C ATOM 561 CG LYS A 36 6.833 4.846 4.269 1.00 0.00 C ATOM 562 CD LYS A 36 7.876 3.917 4.921 1.00 0.00 C ATOM 563 CE LYS A 36 8.882 3.315 3.925 1.00 0.00 C ATOM 564 NZ LYS A 36 9.915 2.490 4.599 1.00 0.00 N ATOM 0 H LYS A 36 3.862 4.448 3.919 1.00 0.00 H new ATOM 0 HA LYS A 36 5.416 5.863 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.008 3.228 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.084 4.267 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.287 5.817 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.012 5.013 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.422 4.476 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.357 3.107 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.348 2.703 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.367 4.119 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.570 2.106 3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.443 3.079 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.457 1.707 5.107 1.00 0.00 H new ATOM 578 N THR A 37 4.532 4.487 -0.040 1.00 0.00 N ATOM 579 CA THR A 37 3.941 3.742 -1.144 1.00 0.00 C ATOM 580 C THR A 37 4.930 2.743 -1.668 1.00 0.00 C ATOM 581 O THR A 37 6.152 2.903 -1.608 1.00 0.00 O ATOM 582 CB THR A 37 3.359 4.606 -2.260 1.00 0.00 C ATOM 583 OG1 THR A 37 2.749 3.831 -3.258 1.00 0.00 O ATOM 584 CG2 THR A 37 4.396 5.516 -2.892 1.00 0.00 C ATOM 0 H THR A 37 5.017 5.338 -0.325 1.00 0.00 H new ATOM 0 HA THR A 37 3.075 3.221 -0.735 1.00 0.00 H new ATOM 0 HB THR A 37 2.602 5.229 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.225 3.115 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.929 6.108 -3.679 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.807 6.181 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.198 4.913 -3.319 1.00 0.00 H new ATOM 592 N ILE A 38 4.344 1.675 -2.163 1.00 0.00 N ATOM 593 CA ILE A 38 5.052 0.607 -2.837 1.00 0.00 C ATOM 594 C ILE A 38 4.956 0.778 -4.338 1.00 0.00 C ATOM 595 O ILE A 38 5.883 0.471 -5.088 1.00 0.00 O ATOM 596 CB ILE A 38 4.423 -0.750 -2.466 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.713 -0.755 -1.089 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.665 -1.670 -2.425 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.231 -2.148 -0.679 1.00 0.00 C ATOM 0 H ILE A 38 3.337 1.521 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 38 6.096 0.640 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 38 3.641 -1.043 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.397 -0.374 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.862 -0.075 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.358 -2.684 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.148 -1.673 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.366 -1.302 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.741 -2.092 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.524 -2.521 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.083 -2.824 -0.617 1.00 0.00 H new ATOM 611 N CYS A 39 3.759 1.200 -4.735 1.00 0.00 N ATOM 612 CA CYS A 39 3.274 1.062 -6.088 1.00 0.00 C ATOM 613 C CYS A 39 2.113 1.960 -6.337 1.00 0.00 C ATOM 614 O CYS A 39 1.248 2.149 -5.476 1.00 0.00 O ATOM 615 CB CYS A 39 2.888 -0.387 -6.383 1.00 0.00 C ATOM 616 SG CYS A 39 1.857 -1.202 -5.139 1.00 0.00 S ATOM 0 H CYS A 39 3.094 1.654 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 39 4.083 1.352 -6.758 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.362 -0.415 -7.337 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.802 -0.968 -6.506 1.00 0.00 H new ATOM 0 HG CYS A 39 0.607 -0.919 -5.358 1.00 0.00 H new ATOM 622 N LYS A 40 2.086 2.444 -7.570 1.00 0.00 N ATOM 623 CA LYS A 40 1.089 3.332 -8.038 1.00 0.00 C ATOM 624 C LYS A 40 0.353 2.827 -9.276 1.00 0.00 C ATOM 625 O LYS A 40 0.975 2.497 -10.280 1.00 0.00 O ATOM 626 CB LYS A 40 1.830 4.642 -8.318 1.00 0.00 C ATOM 627 CG LYS A 40 0.918 5.777 -8.741 1.00 0.00 C ATOM 628 CD LYS A 40 1.555 6.757 -9.736 1.00 0.00 C ATOM 629 CE LYS A 40 1.498 6.096 -11.121 1.00 0.00 C ATOM 630 NZ LYS A 40 2.253 6.822 -12.166 1.00 0.00 N ATOM 0 H LYS A 40 2.786 2.210 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 40 0.299 3.447 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.375 4.940 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.570 4.471 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.017 5.357 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.607 6.328 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.018 7.706 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.585 6.975 -9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.888 5.081 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.456 6.014 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.632 6.142 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.620 7.490 -12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.038 7.344 -11.727 1.00 0.00 H new ATOM 644 N ARG A 41 -0.972 2.888 -9.256 1.00 0.00 N ATOM 645 CA ARG A 41 -1.800 2.635 -10.420 1.00 0.00 C ATOM 646 C ARG A 41 -2.725 3.809 -10.682 1.00 0.00 C ATOM 647 O ARG A 41 -3.644 4.142 -9.950 1.00 0.00 O ATOM 648 CB ARG A 41 -2.557 1.334 -10.238 1.00 0.00 C ATOM 649 CG ARG A 41 -2.963 0.832 -11.613 1.00 0.00 C ATOM 650 CD ARG A 41 -3.692 -0.489 -11.425 1.00 0.00 C ATOM 651 NE ARG A 41 -3.720 -1.248 -12.683 1.00 0.00 N ATOM 652 CZ ARG A 41 -4.656 -1.202 -13.620 1.00 0.00 C ATOM 653 NH1 ARG A 41 -5.866 -0.724 -13.397 1.00 0.00 N ATOM 654 NH2 ARG A 41 -4.349 -1.626 -14.829 1.00 0.00 N ATOM 0 H ARG A 41 -1.506 3.118 -8.418 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.167 2.529 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.933 0.597 -9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.437 1.489 -9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.607 1.557 -12.110 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.086 0.698 -12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.198 -1.076 -10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.710 -0.303 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.935 -1.877 -12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.112 -0.370 -12.473 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.555 -0.708 -14.149 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.411 -1.978 -15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.049 -1.603 -15.571 1.00 0.00 H new ATOM 668 N GLY A 42 -2.430 4.483 -11.766 1.00 0.00 N ATOM 669 CA GLY A 42 -3.103 5.731 -12.087 1.00 0.00 C ATOM 670 C GLY A 42 -2.757 6.804 -11.077 1.00 0.00 C ATOM 671 O GLY A 42 -1.588 7.072 -10.806 1.00 0.00 O ATOM 0 H GLY A 42 -1.728 4.193 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.814 6.059 -13.086 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.182 5.574 -12.103 1.00 0.00 H new ATOM 675 N ASN A 43 -3.808 7.378 -10.504 1.00 0.00 N ATOM 676 CA ASN A 43 -3.732 8.304 -9.378 1.00 0.00 C ATOM 677 C ASN A 43 -3.586 7.558 -8.032 1.00 0.00 C ATOM 678 O ASN A 43 -3.410 8.230 -7.022 1.00 0.00 O ATOM 679 CB ASN A 43 -4.975 9.222 -9.371 1.00 0.00 C ATOM 680 CG ASN A 43 -6.241 8.494 -8.904 1.00 0.00 C ATOM 681 OD1 ASN A 43 -6.407 8.234 -7.726 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.156 8.106 -9.770 1.00 0.00 N ATOM 0 H ASN A 43 -4.764 7.208 -10.818 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.839 8.917 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.789 10.075 -8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.136 9.617 -10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.981 7.600 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.039 8.312 -10.762 1.00 0.00 H new ATOM 689 N THR A 44 -3.718 6.221 -8.002 1.00 0.00 N ATOM 690 CA THR A 44 -3.717 5.467 -6.713 1.00 0.00 C ATOM 691 C THR A 44 -2.336 4.958 -6.364 1.00 0.00 C ATOM 692 O THR A 44 -1.512 4.752 -7.249 1.00 0.00 O ATOM 693 CB THR A 44 -4.853 4.442 -6.583 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.964 3.983 -5.258 1.00 0.00 O ATOM 695 CG2 THR A 44 -4.866 3.223 -7.490 1.00 0.00 C ATOM 0 H THR A 44 -3.826 5.639 -8.833 1.00 0.00 H new ATOM 0 HA THR A 44 -3.964 6.182 -5.928 1.00 0.00 H new ATOM 0 HB THR A 44 -5.699 5.040 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.834 4.247 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.737 2.609 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.912 3.544 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.959 2.640 -7.330 1.00 0.00 H new ATOM 703 N TYR A 45 -2.054 4.853 -5.070 1.00 0.00 N ATOM 704 CA TYR A 45 -0.795 4.699 -4.395 1.00 0.00 C ATOM 705 C TYR A 45 -1.151 3.776 -3.254 1.00 0.00 C ATOM 706 O TYR A 45 -1.813 4.151 -2.280 1.00 0.00 O ATOM 707 CB TYR A 45 -0.295 6.029 -3.824 1.00 0.00 C ATOM 708 CG TYR A 45 0.341 6.933 -4.846 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.734 7.041 -4.914 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.459 7.640 -5.745 1.00 0.00 C ATOM 711 CE1 TYR A 45 2.354 7.866 -5.864 1.00 0.00 C ATOM 712 CE2 TYR A 45 0.139 8.483 -6.707 1.00 0.00 C ATOM 713 CZ TYR A 45 1.553 8.630 -6.747 1.00 0.00 C ATOM 714 OH TYR A 45 2.156 9.462 -7.644 1.00 0.00 O ATOM 0 H TYR A 45 -2.814 4.879 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.008 4.334 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.132 6.552 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.428 5.825 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.344 6.479 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.534 7.542 -5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.431 7.918 -5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.479 9.017 -7.414 1.00 0.00 H new ATOM 0 HH TYR A 45 1.472 9.916 -8.180 1.00 0.00 H new ATOM 724 N LEU A 46 -0.692 2.546 -3.383 1.00 0.00 N ATOM 725 CA LEU A 46 -0.792 1.560 -2.342 1.00 0.00 C ATOM 726 C LEU A 46 0.285 1.906 -1.316 1.00 0.00 C ATOM 727 O LEU A 46 1.448 2.040 -1.705 1.00 0.00 O ATOM 728 CB LEU A 46 -0.490 0.209 -2.967 1.00 0.00 C ATOM 729 CG LEU A 46 -1.116 -0.885 -2.088 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.569 -1.162 -2.506 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.295 -2.154 -2.040 1.00 0.00 C ATOM 0 H LEU A 46 -0.234 2.206 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.776 1.537 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.894 0.160 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.587 0.061 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.122 -0.499 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.989 -1.940 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.158 -0.251 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.592 -1.492 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.792 -2.885 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.193 -2.560 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.693 -1.933 -1.636 1.00 0.00 H new ATOM 743 N CYS A 47 -0.061 2.036 -0.034 1.00 0.00 N ATOM 744 CA CYS A 47 0.895 2.425 1.005 1.00 0.00 C ATOM 745 C CYS A 47 0.783 1.586 2.273 1.00 0.00 C ATOM 746 O CYS A 47 -0.173 0.832 2.457 1.00 0.00 O ATOM 747 CB CYS A 47 0.752 3.922 1.361 1.00 0.00 C ATOM 748 SG CYS A 47 0.572 5.003 -0.083 1.00 0.00 S ATOM 0 H CYS A 47 -1.007 1.876 0.312 1.00 0.00 H new ATOM 0 HA CYS A 47 1.882 2.241 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.114 4.051 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.626 4.235 1.931 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.409 4.579 -0.823 1.00 0.00 H new ATOM 754 N PHE A 48 1.753 1.769 3.169 1.00 0.00 N ATOM 755 CA PHE A 48 1.850 1.036 4.414 1.00 0.00 C ATOM 756 C PHE A 48 2.158 1.883 5.646 1.00 0.00 C ATOM 757 O PHE A 48 2.710 2.979 5.551 1.00 0.00 O ATOM 758 CB PHE A 48 2.849 -0.101 4.223 1.00 0.00 C ATOM 759 CG PHE A 48 4.301 0.205 4.053 1.00 0.00 C ATOM 760 CD1 PHE A 48 5.150 0.038 5.146 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.823 0.386 2.768 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.533 0.019 4.968 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.216 0.400 2.579 1.00 0.00 C ATOM 764 CZ PHE A 48 7.078 0.207 3.680 1.00 0.00 C ATOM 0 H PHE A 48 2.504 2.446 3.039 1.00 0.00 H new ATOM 0 HA PHE A 48 0.859 0.640 4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.755 -0.764 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.532 -0.668 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.734 -0.077 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.159 0.514 1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.185 -0.139 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.626 0.558 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.149 0.203 3.537 1.00 0.00 H new ATOM 774 N ASP A 49 1.768 1.321 6.785 1.00 0.00 N ATOM 775 CA ASP A 49 2.272 1.668 8.118 1.00 0.00 C ATOM 776 C ASP A 49 3.121 0.483 8.584 1.00 0.00 C ATOM 777 O ASP A 49 3.274 -0.520 7.893 1.00 0.00 O ATOM 778 CB ASP A 49 1.115 1.774 9.133 1.00 0.00 C ATOM 779 CG ASP A 49 0.337 3.065 9.244 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.607 3.062 10.072 1.00 0.00 O ATOM 781 OD2 ASP A 49 0.736 4.102 8.678 1.00 0.00 O1- ATOM 0 H ASP A 49 1.065 0.582 6.811 1.00 0.00 H new ATOM 0 HA ASP A 49 2.812 2.613 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.403 0.983 8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.524 1.554 10.119 1.00 0.00 H new ATOM 786 N ASP A 50 3.522 0.512 9.847 1.00 0.00 N ATOM 787 CA ASP A 50 3.766 -0.731 10.591 1.00 0.00 C ATOM 788 C ASP A 50 2.535 -1.529 11.028 1.00 0.00 C ATOM 789 O ASP A 50 2.684 -2.644 11.536 1.00 0.00 O ATOM 790 CB ASP A 50 4.565 -0.412 11.840 1.00 0.00 C ATOM 791 CG ASP A 50 6.045 -0.350 11.479 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.557 0.726 11.151 1.00 0.00 O ATOM 793 OD2 ASP A 50 6.661 -1.455 11.530 1.00 0.00 O1- ATOM 0 H ASP A 50 3.686 1.367 10.379 1.00 0.00 H new ATOM 0 HA ASP A 50 4.291 -1.365 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.240 0.539 12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.394 -1.174 12.601 1.00 0.00 H new ATOM 798 N THR A 51 1.331 -0.968 10.894 1.00 0.00 N ATOM 799 CA THR A 51 0.107 -1.566 11.428 1.00 0.00 C ATOM 800 C THR A 51 -0.572 -2.509 10.441 1.00 0.00 C ATOM 801 O THR A 51 -1.295 -3.406 10.867 1.00 0.00 O ATOM 802 CB THR A 51 -0.911 -0.488 11.847 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.298 0.300 10.743 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.372 0.487 12.892 1.00 0.00 C ATOM 0 H THR A 51 1.178 -0.083 10.410 1.00 0.00 H new ATOM 0 HA THR A 51 0.424 -2.141 12.298 1.00 0.00 H new ATOM 0 HB THR A 51 -1.746 -1.050 12.266 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.905 1.194 10.825 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.142 1.218 13.139 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.090 -0.062 13.791 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.502 1.002 12.493 1.00 0.00 H new ATOM 812 N ASN A 52 -0.451 -2.197 9.148 1.00 0.00 N ATOM 813 CA ASN A 52 -1.363 -2.490 8.071 1.00 0.00 C ATOM 814 C ASN A 52 -1.024 -1.603 6.879 1.00 0.00 C ATOM 815 O ASN A 52 -0.001 -0.922 6.828 1.00 0.00 O ATOM 816 CB ASN A 52 -2.866 -2.540 8.421 1.00 0.00 C ATOM 817 CG ASN A 52 -3.502 -1.334 9.077 1.00 0.00 C ATOM 818 OD1 ASN A 52 -4.004 -1.368 10.199 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.635 -0.241 8.350 1.00 0.00 N ATOM 0 H ASN A 52 0.366 -1.687 8.812 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.199 -3.534 7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.413 -2.741 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.023 -3.395 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.148 0.559 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.225 -0.196 7.417 1.00 0.00 H new ATOM 826 N LEU A 53 -1.900 -1.636 5.887 1.00 0.00 N ATOM 827 CA LEU A 53 -1.766 -1.050 4.579 1.00 0.00 C ATOM 828 C LEU A 53 -2.967 -0.152 4.323 1.00 0.00 C ATOM 829 O LEU A 53 -3.974 -0.251 5.029 1.00 0.00 O ATOM 830 CB LEU A 53 -1.745 -2.227 3.600 1.00 0.00 C ATOM 831 CG LEU A 53 -0.505 -3.091 3.851 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.508 -4.282 2.962 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.772 -2.340 3.557 1.00 0.00 C ATOM 0 H LEU A 53 -2.794 -2.115 5.994 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.866 -0.444 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.647 -2.827 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.741 -1.858 2.574 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.542 -3.377 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.381 -4.883 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.399 -4.879 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.508 -3.959 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.627 -2.988 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.779 -2.028 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.833 -1.461 4.198 1.00 0.00 H new ATOM 845 N TYR A 54 -2.868 0.678 3.290 1.00 0.00 N ATOM 846 CA TYR A 54 -3.952 1.543 2.832 1.00 0.00 C ATOM 847 C TYR A 54 -3.901 1.671 1.299 1.00 0.00 C ATOM 848 O TYR A 54 -2.836 1.490 0.693 1.00 0.00 O ATOM 849 CB TYR A 54 -3.904 2.924 3.530 1.00 0.00 C ATOM 850 CG TYR A 54 -3.612 2.934 5.032 1.00 0.00 C ATOM 851 CD1 TYR A 54 -2.372 2.504 5.568 1.00 0.00 C ATOM 852 CD2 TYR A 54 -4.631 3.330 5.914 1.00 0.00 C ATOM 853 CE1 TYR A 54 -2.215 2.328 6.953 1.00 0.00 C ATOM 854 CE2 TYR A 54 -4.443 3.269 7.302 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.244 2.752 7.823 1.00 0.00 C ATOM 856 OH TYR A 54 -3.123 2.614 9.164 1.00 0.00 O ATOM 0 H TYR A 54 -2.016 0.771 2.736 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.905 1.090 3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.145 3.528 3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.862 3.419 3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.541 2.310 4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.571 3.686 5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.318 1.874 7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.217 3.618 7.969 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.175 2.541 9.401 1.00 0.00 H new ATOM 866 N ALA A 55 -5.018 2.029 0.660 1.00 0.00 N ATOM 867 CA ALA A 55 -4.973 2.630 -0.665 1.00 0.00 C ATOM 868 C ALA A 55 -5.344 4.104 -0.539 1.00 0.00 C ATOM 869 O ALA A 55 -6.436 4.433 -0.088 1.00 0.00 O ATOM 870 CB ALA A 55 -5.898 1.846 -1.603 1.00 0.00 C ATOM 0 H ALA A 55 -5.957 1.912 1.041 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.974 2.582 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.869 2.291 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.565 0.809 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.918 1.880 -1.220 1.00 0.00 H new ATOM 876 N ILE A 56 -4.420 4.989 -0.919 1.00 0.00 N ATOM 877 CA ILE A 56 -4.752 6.398 -1.111 1.00 0.00 C ATOM 878 C ILE A 56 -5.125 6.575 -2.582 1.00 0.00 C ATOM 879 O ILE A 56 -4.264 6.431 -3.445 1.00 0.00 O ATOM 880 CB ILE A 56 -3.632 7.332 -0.615 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.540 7.353 0.935 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.971 8.763 -1.097 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.580 6.356 1.590 1.00 0.00 C ATOM 0 H ILE A 56 -3.443 4.755 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.606 6.690 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.679 6.976 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.247 8.357 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.538 7.175 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.196 9.453 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.024 8.777 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.932 9.068 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.613 6.477 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.877 5.340 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.566 6.540 1.235 1.00 0.00 H new ATOM 895 N THR A 57 -6.396 6.895 -2.861 1.00 0.00 N ATOM 896 CA THR A 57 -6.883 7.207 -4.207 1.00 0.00 C ATOM 897 C THR A 57 -7.288 8.677 -4.166 1.00 0.00 C ATOM 898 O THR A 57 -8.096 9.061 -3.327 1.00 0.00 O ATOM 899 CB THR A 57 -8.024 6.265 -4.605 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.579 4.934 -4.437 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.418 6.396 -6.070 1.00 0.00 C ATOM 0 H THR A 57 -7.123 6.944 -2.147 1.00 0.00 H new ATOM 0 HA THR A 57 -6.124 7.055 -4.975 1.00 0.00 H new ATOM 0 HB THR A 57 -8.880 6.522 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.297 4.315 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.230 5.704 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.746 7.416 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.560 6.162 -6.700 1.00 0.00 H new ATOM 909 N GLY A 58 -6.685 9.503 -5.020 1.00 0.00 N ATOM 910 CA GLY A 58 -6.811 10.981 -4.979 1.00 0.00 C ATOM 911 C GLY A 58 -6.310 11.566 -3.666 1.00 0.00 C ATOM 912 O GLY A 58 -5.128 11.874 -3.537 1.00 0.00 O ATOM 0 H GLY A 58 -6.084 9.172 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.248 11.415 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.855 11.259 -5.123 1.00 0.00 H new ATOM 916 N ASP A 59 -7.195 11.680 -2.665 1.00 0.00 N ATOM 917 CA ASP A 59 -6.907 11.975 -1.255 1.00 0.00 C ATOM 918 C ASP A 59 -7.897 11.216 -0.308 1.00 0.00 C ATOM 919 O ASP A 59 -8.282 11.693 0.753 1.00 0.00 O ATOM 920 CB ASP A 59 -6.821 13.497 -0.995 1.00 0.00 C ATOM 921 CG ASP A 59 -8.035 14.370 -1.337 1.00 0.00 C ATOM 922 OD1 ASP A 59 -8.960 14.524 -0.492 1.00 0.00 O ATOM 923 OD2 ASP A 59 -8.054 14.957 -2.432 1.00 0.00 O1- ATOM 0 H ASP A 59 -8.195 11.561 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.915 11.591 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.598 13.640 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.969 13.881 -1.556 1.00 0.00 H new ATOM 928 N VAL A 60 -8.297 10.020 -0.720 1.00 0.00 N ATOM 929 CA VAL A 60 -9.143 9.072 0.037 1.00 0.00 C ATOM 930 C VAL A 60 -8.262 7.979 0.594 1.00 0.00 C ATOM 931 O VAL A 60 -7.795 7.133 -0.169 1.00 0.00 O ATOM 932 CB VAL A 60 -10.250 8.429 -0.843 1.00 0.00 C ATOM 933 CG1 VAL A 60 -11.008 7.298 -0.112 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.211 9.508 -1.373 1.00 0.00 C ATOM 0 H VAL A 60 -8.034 9.655 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.639 9.629 0.832 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.757 7.960 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.770 6.884 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.306 6.513 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.483 7.698 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.980 9.040 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.680 10.022 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.655 10.227 -1.974 1.00 0.00 H new ATOM 944 N VAL A 61 -8.053 7.964 1.913 1.00 0.00 N ATOM 945 CA VAL A 61 -7.325 6.891 2.583 1.00 0.00 C ATOM 946 C VAL A 61 -8.283 5.758 2.955 1.00 0.00 C ATOM 947 O VAL A 61 -9.207 5.907 3.752 1.00 0.00 O ATOM 948 CB VAL A 61 -6.491 7.400 3.771 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.304 7.904 4.977 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.504 6.328 4.240 1.00 0.00 C ATOM 0 H VAL A 61 -8.384 8.695 2.543 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.594 6.483 1.885 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.965 8.270 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.624 8.240 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.939 8.734 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.926 7.095 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.925 6.710 5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.053 5.439 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.831 6.071 3.422 1.00 0.00 H new ATOM 960 N LEU A 62 -8.033 4.623 2.321 1.00 0.00 N ATOM 961 CA LEU A 62 -8.756 3.370 2.479 1.00 0.00 C ATOM 962 C LEU A 62 -7.843 2.365 3.161 1.00 0.00 C ATOM 963 O LEU A 62 -7.097 1.629 2.530 1.00 0.00 O ATOM 964 CB LEU A 62 -9.281 2.965 1.090 1.00 0.00 C ATOM 965 CG LEU A 62 -9.910 1.560 0.884 1.00 0.00 C ATOM 966 CD1 LEU A 62 -10.202 0.714 2.138 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.234 1.729 0.124 1.00 0.00 C ATOM 0 H LEU A 62 -7.275 4.547 1.642 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.629 3.443 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.028 3.702 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.451 3.056 0.389 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.141 1.006 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.639 -0.239 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.274 0.534 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.901 1.248 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.692 0.752 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.909 2.358 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.042 2.197 -0.842 1.00 0.00 H new ATOM 979 N LYS A 63 -7.906 2.341 4.489 1.00 0.00 N ATOM 980 CA LYS A 63 -7.250 1.344 5.342 1.00 0.00 C ATOM 981 C LYS A 63 -7.682 -0.107 5.056 1.00 0.00 C ATOM 982 O LYS A 63 -8.863 -0.433 4.958 1.00 0.00 O ATOM 983 CB LYS A 63 -7.433 1.705 6.834 1.00 0.00 C ATOM 984 CG LYS A 63 -8.855 1.543 7.405 1.00 0.00 C ATOM 985 CD LYS A 63 -8.927 1.761 8.924 1.00 0.00 C ATOM 986 CE LYS A 63 -8.095 0.699 9.660 1.00 0.00 C ATOM 987 NZ LYS A 63 -8.518 0.513 11.067 1.00 0.00 N ATOM 0 H LYS A 63 -8.430 3.035 5.022 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.189 1.380 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.755 1.086 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.123 2.740 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.520 2.251 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.222 0.544 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.559 2.756 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.964 1.713 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.178 -0.251 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.044 0.987 9.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.924 -0.214 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.415 1.411 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.513 0.211 11.093 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.711 -1.008 5.026 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.924 -2.445 5.033 1.00 0.00 C ATOM 1003 C PHE A 64 -6.877 -2.951 6.475 1.00 0.00 C ATOM 1004 O PHE A 64 -5.925 -2.655 7.194 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.863 -3.086 4.145 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.986 -2.741 2.670 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -4.968 -2.033 2.006 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.151 -3.086 1.960 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.091 -1.682 0.652 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.311 -2.677 0.625 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.285 -1.968 -0.025 1.00 0.00 C ATOM 0 H PHE A 64 -5.725 -0.750 4.995 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.903 -2.712 4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.878 -2.778 4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.918 -4.169 4.258 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.076 -1.754 2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.924 -3.666 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.275 -1.197 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.224 -2.908 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.417 -1.644 -1.047 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.847 -3.785 6.879 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.882 -4.434 8.200 1.00 0.00 C ATOM 1023 C ALA A 65 -6.745 -5.432 8.488 1.00 0.00 C ATOM 1024 O ALA A 65 -6.700 -6.049 9.554 1.00 0.00 O ATOM 1025 CB ALA A 65 -9.223 -5.157 8.339 1.00 0.00 C ATOM 0 H ALA A 65 -8.641 -4.032 6.289 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.747 -3.634 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.273 -5.647 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.036 -4.436 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.317 -5.904 7.551 1.00 0.00 H new ATOM 1031 N THR A 66 -5.894 -5.673 7.499 1.00 0.00 N ATOM 1032 CA THR A 66 -4.898 -6.713 7.470 1.00 0.00 C ATOM 1033 C THR A 66 -3.862 -6.160 6.554 1.00 0.00 C ATOM 1034 O THR A 66 -4.100 -5.232 5.778 1.00 0.00 O ATOM 1035 CB THR A 66 -5.419 -8.013 6.846 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.823 -8.072 6.939 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.948 -9.270 7.548 1.00 0.00 C ATOM 0 H THR A 66 -5.888 -5.109 6.649 1.00 0.00 H new ATOM 0 HA THR A 66 -4.561 -6.960 8.477 1.00 0.00 H new ATOM 0 HB THR A 66 -5.041 -7.987 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.143 -8.906 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.361 -10.144 7.045 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.859 -9.316 7.521 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.284 -9.256 8.585 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.784 -6.894 6.525 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.892 -6.816 5.418 1.00 0.00 C ATOM 1047 C VAL A 67 -2.444 -7.591 4.217 1.00 0.00 C ATOM 1048 O VAL A 67 -2.551 -7.071 3.114 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.554 -7.435 5.805 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.380 -6.650 4.953 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.094 -7.331 7.165 1.00 0.00 C ATOM 0 H VAL A 67 -2.509 -7.549 7.257 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.774 -5.766 5.149 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.745 -8.505 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.402 -6.989 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.122 -6.793 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.301 -5.593 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.043 -7.867 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.271 -6.282 7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.564 -7.768 7.916 1.00 0.00 H new ATOM 1061 N SER A 68 -2.833 -8.850 4.428 1.00 0.00 N ATOM 1062 CA SER A 68 -3.166 -9.808 3.381 1.00 0.00 C ATOM 1063 C SER A 68 -4.325 -9.370 2.465 1.00 0.00 C ATOM 1064 O SER A 68 -4.409 -9.841 1.335 1.00 0.00 O ATOM 1065 CB SER A 68 -3.398 -11.174 4.032 1.00 0.00 C ATOM 1066 OG SER A 68 -2.407 -11.406 5.025 1.00 0.00 O ATOM 0 H SER A 68 -2.927 -9.240 5.366 1.00 0.00 H new ATOM 0 HA SER A 68 -2.322 -9.869 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.391 -11.210 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.360 -11.959 3.277 1.00 0.00 H new ATOM 0 HG SER A 68 -2.559 -12.280 5.441 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.134 -8.414 2.925 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.054 -7.657 2.089 1.00 0.00 C ATOM 1074 C LYS A 69 -5.409 -7.039 0.865 1.00 0.00 C ATOM 1075 O LYS A 69 -5.828 -7.298 -0.264 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.558 -6.485 2.932 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.268 -6.814 4.245 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.751 -6.492 4.154 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.332 -7.683 3.373 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.567 -7.391 2.595 1.00 0.00 N ATOM 0 H LYS A 69 -5.165 -8.143 3.908 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.825 -8.350 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.706 -5.845 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.241 -5.898 2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.135 -7.870 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.818 -6.246 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.203 -6.401 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.926 -5.549 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.570 -8.054 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.547 -8.488 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.881 -8.253 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.316 -7.068 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.369 -6.648 1.895 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.402 -6.173 1.070 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.874 -5.307 0.004 1.00 0.00 C ATOM 1096 C ALA A 70 -3.389 -6.061 -1.256 1.00 0.00 C ATOM 1097 O ALA A 70 -3.297 -5.497 -2.343 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.740 -4.483 0.606 1.00 0.00 C ATOM 0 H ALA A 70 -3.936 -6.055 1.969 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.691 -4.680 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.322 -3.827 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.125 -3.882 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.962 -5.151 0.976 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.111 -7.354 -1.107 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.698 -8.246 -2.200 1.00 0.00 C ATOM 1106 C ARG A 71 -3.845 -8.529 -3.178 1.00 0.00 C ATOM 1107 O ARG A 71 -3.659 -8.457 -4.390 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.205 -9.569 -1.576 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.247 -10.305 -2.514 1.00 0.00 C ATOM 1110 CD ARG A 71 0.041 -10.715 -1.799 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.077 -12.023 -1.146 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.971 -12.831 -0.895 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.174 -12.604 -1.401 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.863 -13.909 -0.149 1.00 0.00 N ATOM 0 H ARG A 71 -3.166 -7.826 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.906 -7.760 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.704 -9.363 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.059 -10.208 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.739 -11.191 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.004 -9.665 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.860 -10.743 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.296 -9.961 -1.054 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.006 -12.339 -0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.330 -11.795 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.944 -13.238 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.037 -14.157 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.679 -14.497 0.019 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.028 -8.779 -2.605 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.280 -9.042 -3.313 1.00 0.00 C ATOM 1130 C ALA A 72 -6.862 -7.742 -3.900 1.00 0.00 C ATOM 1131 O ALA A 72 -7.394 -7.749 -4.998 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.171 -9.729 -2.276 1.00 0.00 C ATOM 0 H ALA A 72 -5.141 -8.804 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.164 -9.684 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.137 -9.964 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.694 -10.649 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.318 -9.064 -1.425 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.614 -6.570 -3.293 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.936 -5.261 -3.850 1.00 0.00 C ATOM 1140 C TYR A 73 -6.108 -4.922 -5.106 1.00 0.00 C ATOM 1141 O TYR A 73 -6.656 -4.640 -6.139 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.643 -4.197 -2.786 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.926 -2.801 -3.264 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -5.853 -2.017 -3.716 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.240 -2.288 -3.247 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -6.093 -0.690 -4.113 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.474 -0.964 -3.661 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.398 -0.162 -4.095 1.00 0.00 C ATOM 1149 OH TYR A 73 -7.596 1.125 -4.502 1.00 0.00 O ATOM 0 H TYR A 73 -6.171 -6.514 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.987 -5.279 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.244 -4.401 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.598 -4.268 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.855 -2.428 -3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.061 -2.908 -2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.269 -0.070 -4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.476 -0.562 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.548 1.347 -4.435 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.781 -5.256 -5.007 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.886 -5.155 -6.150 1.00 0.00 C ATOM 1161 C LEU A 74 -4.296 -5.714 -7.542 1.00 0.00 C ATOM 1162 O LEU A 74 -3.922 -5.137 -8.592 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.529 -5.836 -5.697 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.337 -4.815 -5.873 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.435 -3.459 -5.141 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.090 -5.553 -5.397 1.00 0.00 C ATOM 0 H LEU A 74 -4.338 -5.589 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.858 -4.088 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.599 -6.152 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.344 -6.731 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.336 -4.520 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.547 -2.865 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.321 -2.924 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.507 -3.630 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.778 -4.900 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.214 -5.842 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.059 -6.445 -6.005 1.00 0.00 H new ATOM 1178 N GLU A 75 -4.965 -6.823 -7.560 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.509 -7.425 -8.744 1.00 0.00 C ATOM 1180 C GLU A 75 -6.976 -7.067 -8.984 1.00 0.00 C ATOM 1181 O GLU A 75 -7.465 -7.300 -10.085 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.337 -8.947 -8.697 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.326 -9.679 -7.299 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.220 -11.199 -7.608 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -4.277 -11.519 -8.310 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.101 -12.075 -7.293 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.157 -7.360 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.946 -7.017 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.139 -9.386 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.400 -9.187 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.485 -9.345 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.233 -9.458 -6.736 1.00 0.00 H new