USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HE2:sc= 0.401 K(o=1.6,f=-1.2) USER MOD Set 1.2: B 13 SER OG : rot 89:sc= 1.2 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.821 K(o=0.82,f=-7.1!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.214 K(o=-0.21,f=-4.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-2.8!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.0472 (180deg=-0.27) USER MOD Single : A 43 GLN : amide:sc=-0.00689 X(o=-0.0069,f=-0.0069) USER MOD Single : A 48 SER OG : rot 77:sc= 0.104 USER MOD Single : A 53 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0667 K(o=-0.067,f=-0.82) USER MOD Single : A 65 SER OG : rot -174:sc= 1.26 USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000785 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -0.0315 (180deg=-0.184) USER MOD Single : A 73 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.053) USER MOD Single : A 77 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 80 ASN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 81 THR OG1 : rot -77:sc= 1.31 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00556 X(o=-0.0056,f=-0.024) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.577 6.883 -9.928 1.00 0.00 N ATOM 54 CA GLY A 4 -11.447 6.280 -9.294 1.00 0.00 C ATOM 55 C GLY A 4 -10.696 5.390 -10.224 1.00 0.00 C ATOM 56 O GLY A 4 -10.673 4.173 -10.050 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.782 7.059 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.780 5.704 -8.430 1.00 0.00 H new ATOM 60 N ASP A 5 -10.079 5.952 -11.279 1.00 0.00 N ATOM 61 CA ASP A 5 -9.259 5.236 -12.206 1.00 0.00 C ATOM 62 C ASP A 5 -7.855 5.052 -11.743 1.00 0.00 C ATOM 63 O ASP A 5 -7.442 5.556 -10.699 1.00 0.00 O ATOM 64 CB ASP A 5 -9.368 5.901 -13.589 1.00 0.00 C ATOM 65 CG ASP A 5 -9.493 4.863 -14.696 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.574 4.007 -14.798 1.00 0.00 O ATOM 67 OD2 ASP A 5 -10.500 4.882 -15.452 1.00 0.00 O ATOM 0 H ASP A 5 -10.155 6.946 -11.495 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.635 4.216 -12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.234 6.563 -13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.489 6.521 -13.767 1.00 0.00 H new ATOM 72 N ILE A 6 -7.017 4.342 -12.520 1.00 0.00 N ATOM 73 CA ILE A 6 -5.656 4.026 -12.217 1.00 0.00 C ATOM 74 C ILE A 6 -4.739 5.189 -12.382 1.00 0.00 C ATOM 75 O ILE A 6 -4.922 6.016 -13.273 1.00 0.00 O ATOM 76 CB ILE A 6 -5.219 2.812 -12.980 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.721 1.559 -12.241 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.700 2.703 -13.197 1.00 0.00 C ATOM 79 CD1 ILE A 6 -5.660 0.277 -13.070 1.00 0.00 C ATOM 0 H ILE A 6 -7.312 3.964 -13.420 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.599 3.782 -11.156 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.653 2.900 -13.976 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.128 1.422 -11.337 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.751 1.725 -11.925 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.477 1.795 -13.757 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.349 3.570 -13.757 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.196 2.666 -12.231 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.031 -0.558 -12.476 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.276 0.391 -13.962 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.629 0.083 -13.364 1.00 0.00 H new ATOM 91 N PHE A 7 -3.723 5.328 -11.511 1.00 0.00 N ATOM 92 CA PHE A 7 -2.666 6.280 -11.666 1.00 0.00 C ATOM 93 C PHE A 7 -1.390 5.744 -11.117 1.00 0.00 C ATOM 94 O PHE A 7 -1.383 4.794 -10.336 1.00 0.00 O ATOM 95 CB PHE A 7 -3.002 7.697 -11.169 1.00 0.00 C ATOM 96 CG PHE A 7 -3.035 7.909 -9.695 1.00 0.00 C ATOM 97 CD1 PHE A 7 -3.967 7.289 -8.896 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.166 8.811 -9.128 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.025 7.561 -7.548 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.221 9.097 -7.785 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.152 8.466 -6.993 1.00 0.00 C ATOM 0 H PHE A 7 -3.634 4.758 -10.670 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.532 6.420 -12.739 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.272 8.386 -11.594 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.976 7.975 -11.573 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.659 6.583 -9.330 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.430 9.302 -9.747 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.756 7.064 -6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.537 9.813 -7.354 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.197 8.682 -5.936 1.00 0.00 H new ATOM 111 N GLU A 8 -0.238 6.307 -11.525 1.00 0.00 N ATOM 112 CA GLU A 8 1.058 5.840 -11.139 1.00 0.00 C ATOM 113 C GLU A 8 1.886 6.942 -10.576 1.00 0.00 C ATOM 114 O GLU A 8 2.060 7.998 -11.183 1.00 0.00 O ATOM 115 CB GLU A 8 1.741 5.119 -12.314 1.00 0.00 C ATOM 116 CG GLU A 8 2.154 6.014 -13.485 1.00 0.00 C ATOM 117 CD GLU A 8 2.276 5.256 -14.799 1.00 0.00 C ATOM 118 OE1 GLU A 8 1.228 4.999 -15.449 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.419 4.974 -15.248 1.00 0.00 O ATOM 0 H GLU A 8 -0.208 7.116 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 8 0.943 5.109 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.628 4.609 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.065 4.350 -12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.422 6.813 -13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.109 6.487 -13.255 1.00 0.00 H new ATOM 126 N VAL A 9 2.376 6.775 -9.335 1.00 0.00 N ATOM 127 CA VAL A 9 3.181 7.731 -8.640 1.00 0.00 C ATOM 128 C VAL A 9 4.613 7.321 -8.592 1.00 0.00 C ATOM 129 O VAL A 9 4.934 6.195 -8.214 1.00 0.00 O ATOM 130 CB VAL A 9 2.648 7.983 -7.260 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.526 8.952 -6.450 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.235 8.579 -7.376 1.00 0.00 C ATOM 0 H VAL A 9 2.202 5.931 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 9 3.130 8.664 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 9 2.640 7.028 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.091 9.096 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.529 8.536 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.581 9.911 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.836 8.767 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.280 9.516 -7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.586 7.877 -7.900 1.00 0.00 H new ATOM 142 N GLU A 10 5.543 8.242 -8.906 1.00 0.00 N ATOM 143 CA GLU A 10 6.906 8.149 -8.484 1.00 0.00 C ATOM 144 C GLU A 10 7.183 9.243 -7.511 1.00 0.00 C ATOM 145 O GLU A 10 7.051 10.428 -7.814 1.00 0.00 O ATOM 146 CB GLU A 10 7.937 8.265 -9.620 1.00 0.00 C ATOM 147 CG GLU A 10 9.371 8.068 -9.123 1.00 0.00 C ATOM 148 CD GLU A 10 10.494 8.363 -10.108 1.00 0.00 C ATOM 149 OE1 GLU A 10 10.261 8.810 -11.262 1.00 0.00 O ATOM 150 OE2 GLU A 10 11.660 8.129 -9.692 1.00 0.00 O ATOM 0 H GLU A 10 5.342 9.070 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 10 7.017 7.155 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.715 7.523 -10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.849 9.245 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.515 8.700 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.475 7.035 -8.791 1.00 0.00 H new ATOM 157 N LEU A 11 7.607 8.879 -6.287 1.00 0.00 N ATOM 158 CA LEU A 11 7.994 9.790 -5.255 1.00 0.00 C ATOM 159 C LEU A 11 9.287 9.326 -4.678 1.00 0.00 C ATOM 160 O LEU A 11 9.976 8.476 -5.241 1.00 0.00 O ATOM 161 CB LEU A 11 6.843 9.915 -4.244 1.00 0.00 C ATOM 162 CG LEU A 11 6.824 11.120 -3.287 1.00 0.00 C ATOM 163 CD1 LEU A 11 7.112 12.457 -3.990 1.00 0.00 C ATOM 164 CD2 LEU A 11 5.462 11.207 -2.580 1.00 0.00 C ATOM 0 H LEU A 11 7.683 7.902 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 11 8.170 10.798 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.909 9.926 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.838 9.010 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 11 7.624 10.953 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.084 13.266 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.098 12.420 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.358 12.635 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.457 12.062 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.673 11.326 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.289 10.294 -2.011 1.00 0.00 H new ATOM 176 N ALA A 12 9.710 9.886 -3.531 1.00 0.00 N ATOM 177 CA ALA A 12 10.921 9.509 -2.870 1.00 0.00 C ATOM 178 C ALA A 12 10.812 9.840 -1.422 1.00 0.00 C ATOM 179 O ALA A 12 9.897 10.538 -0.988 1.00 0.00 O ATOM 180 CB ALA A 12 12.136 10.228 -3.481 1.00 0.00 C ATOM 0 H ALA A 12 9.195 10.623 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 12 11.067 8.436 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.042 9.921 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.221 9.967 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.008 11.306 -3.383 1.00 0.00 H new ATOM 186 N LYS A 13 11.766 9.346 -0.614 1.00 0.00 N ATOM 187 CA LYS A 13 11.848 9.596 0.792 1.00 0.00 C ATOM 188 C LYS A 13 12.272 10.989 1.108 1.00 0.00 C ATOM 189 O LYS A 13 13.439 11.352 0.978 1.00 0.00 O ATOM 190 CB LYS A 13 12.810 8.584 1.435 1.00 0.00 C ATOM 191 CG LYS A 13 12.888 8.670 2.961 1.00 0.00 C ATOM 192 CD LYS A 13 13.675 7.508 3.571 1.00 0.00 C ATOM 193 CE LYS A 13 13.565 7.408 5.095 1.00 0.00 C ATOM 194 NZ LYS A 13 14.290 8.505 5.773 1.00 0.00 N ATOM 0 H LYS A 13 12.515 8.744 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 13 10.847 9.477 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.500 7.577 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.808 8.736 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.357 9.612 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.879 8.678 3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.324 6.575 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.725 7.613 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.515 7.433 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.965 6.449 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.191 8.402 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.297 8.467 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.892 9.419 5.477 1.00 0.00 H new ATOM 208 N ASN A 14 11.323 11.839 1.541 1.00 0.00 N ATOM 209 CA ASN A 14 11.573 13.197 1.914 1.00 0.00 C ATOM 210 C ASN A 14 11.872 13.301 3.369 1.00 0.00 C ATOM 211 O ASN A 14 13.029 13.256 3.786 1.00 0.00 O ATOM 212 CB ASN A 14 10.475 14.146 1.403 1.00 0.00 C ATOM 213 CG ASN A 14 9.046 13.660 1.590 1.00 0.00 C ATOM 214 OD1 ASN A 14 8.580 13.387 2.695 1.00 0.00 O ATOM 215 ND2 ASN A 14 8.284 13.564 0.467 1.00 0.00 N ATOM 0 H ASN A 14 10.344 11.570 1.635 1.00 0.00 H new ATOM 0 HA ASN A 14 12.476 13.542 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.583 15.104 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.642 14.327 0.341 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.312 13.262 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.685 13.794 -0.442 1.00 0.00 H new ATOM 222 N ASP A 15 10.843 13.413 4.229 1.00 0.00 N ATOM 223 CA ASP A 15 10.939 13.381 5.655 1.00 0.00 C ATOM 224 C ASP A 15 10.892 11.980 6.157 1.00 0.00 C ATOM 225 O ASP A 15 11.680 11.576 7.009 1.00 0.00 O ATOM 226 CB ASP A 15 9.768 14.185 6.246 1.00 0.00 C ATOM 227 CG ASP A 15 9.969 15.677 6.022 1.00 0.00 C ATOM 228 OD1 ASP A 15 10.846 16.277 6.699 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.262 16.277 5.170 1.00 0.00 O ATOM 0 H ASP A 15 9.883 13.534 3.906 1.00 0.00 H new ATOM 0 HA ASP A 15 11.889 13.819 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.833 13.866 5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.683 13.981 7.313 1.00 0.00 H new ATOM 234 N ASN A 16 9.952 11.186 5.612 1.00 0.00 N ATOM 235 CA ASN A 16 9.770 9.785 5.833 1.00 0.00 C ATOM 236 C ASN A 16 9.470 9.214 4.489 1.00 0.00 C ATOM 237 O ASN A 16 9.420 9.957 3.509 1.00 0.00 O ATOM 238 CB ASN A 16 8.630 9.514 6.828 1.00 0.00 C ATOM 239 CG ASN A 16 9.163 9.535 8.254 1.00 0.00 C ATOM 240 OD1 ASN A 16 9.559 8.501 8.789 1.00 0.00 O ATOM 241 ND2 ASN A 16 9.173 10.720 8.922 1.00 0.00 N ATOM 0 H ASN A 16 9.261 11.559 4.961 1.00 0.00 H new ATOM 0 HA ASN A 16 10.655 9.329 6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.850 10.266 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.174 8.547 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.513 10.761 9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.841 11.568 8.462 1.00 0.00 H new ATOM 248 N SER A 17 9.287 7.889 4.351 1.00 0.00 N ATOM 249 CA SER A 17 9.048 7.264 3.087 1.00 0.00 C ATOM 250 C SER A 17 7.611 7.315 2.698 1.00 0.00 C ATOM 251 O SER A 17 7.279 7.970 1.711 1.00 0.00 O ATOM 252 CB SER A 17 9.585 5.831 2.940 1.00 0.00 C ATOM 253 OG SER A 17 9.175 4.970 3.993 1.00 0.00 O ATOM 0 H SER A 17 9.305 7.237 5.135 1.00 0.00 H new ATOM 0 HA SER A 17 9.636 7.868 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.247 5.419 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.674 5.860 2.906 1.00 0.00 H new ATOM 0 HG SER A 17 9.544 4.074 3.846 1.00 0.00 H new ATOM 259 N LEU A 18 6.702 6.631 3.415 1.00 0.00 N ATOM 260 CA LEU A 18 5.305 6.663 3.116 1.00 0.00 C ATOM 261 C LEU A 18 4.563 7.579 4.028 1.00 0.00 C ATOM 262 O LEU A 18 4.236 8.704 3.653 1.00 0.00 O ATOM 263 CB LEU A 18 4.640 5.276 3.093 1.00 0.00 C ATOM 264 CG LEU A 18 5.211 4.252 2.097 1.00 0.00 C ATOM 265 CD1 LEU A 18 4.172 3.143 1.862 1.00 0.00 C ATOM 266 CD2 LEU A 18 5.613 4.824 0.727 1.00 0.00 C ATOM 0 H LEU A 18 6.941 6.046 4.216 1.00 0.00 H new ATOM 0 HA LEU A 18 5.245 7.053 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.706 4.850 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.581 5.410 2.873 1.00 0.00 H new ATOM 0 HG LEU A 18 6.127 3.883 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.571 2.414 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.948 2.648 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.260 3.579 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.003 4.023 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.741 5.269 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.381 5.586 0.862 1.00 0.00 H new ATOM 278 N GLY A 19 4.243 7.136 5.257 1.00 0.00 N ATOM 279 CA GLY A 19 3.429 7.858 6.185 1.00 0.00 C ATOM 280 C GLY A 19 2.005 7.424 6.136 1.00 0.00 C ATOM 281 O GLY A 19 1.092 8.245 6.075 1.00 0.00 O ATOM 0 H GLY A 19 4.565 6.238 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.817 7.716 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.490 8.924 5.967 1.00 0.00 H new ATOM 285 N ILE A 20 1.745 6.105 6.162 1.00 0.00 N ATOM 286 CA ILE A 20 0.434 5.585 5.919 1.00 0.00 C ATOM 287 C ILE A 20 0.142 4.365 6.723 1.00 0.00 C ATOM 288 O ILE A 20 1.033 3.659 7.191 1.00 0.00 O ATOM 289 CB ILE A 20 0.243 5.381 4.446 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.224 5.549 4.017 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.852 4.056 3.955 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.354 5.994 2.561 1.00 0.00 C ATOM 0 H ILE A 20 2.449 5.392 6.353 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.299 6.317 6.257 1.00 0.00 H new ATOM 0 HB ILE A 20 0.799 6.176 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.751 4.605 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.708 6.281 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.687 3.955 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.923 4.050 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.378 3.223 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.408 6.099 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.851 6.952 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.895 5.249 1.911 1.00 0.00 H new ATOM 304 N SER A 21 -1.151 4.059 6.934 1.00 0.00 N ATOM 305 CA SER A 21 -1.598 2.913 7.663 1.00 0.00 C ATOM 306 C SER A 21 -2.504 2.104 6.800 1.00 0.00 C ATOM 307 O SER A 21 -3.220 2.624 5.946 1.00 0.00 O ATOM 308 CB SER A 21 -2.297 3.306 8.975 1.00 0.00 C ATOM 309 OG SER A 21 -2.523 2.174 9.802 1.00 0.00 O ATOM 0 H SER A 21 -1.916 4.634 6.582 1.00 0.00 H new ATOM 0 HA SER A 21 -0.728 2.316 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.687 4.033 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.247 3.791 8.751 1.00 0.00 H new ATOM 0 HG SER A 21 -2.967 2.456 10.629 1.00 0.00 H new ATOM 315 N VAL A 22 -2.471 0.769 6.964 1.00 0.00 N ATOM 316 CA VAL A 22 -2.987 -0.188 6.035 1.00 0.00 C ATOM 317 C VAL A 22 -4.014 -1.039 6.701 1.00 0.00 C ATOM 318 O VAL A 22 -3.963 -1.249 7.912 1.00 0.00 O ATOM 319 CB VAL A 22 -1.837 -0.994 5.507 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.202 -2.357 4.896 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.128 -0.155 4.431 1.00 0.00 C ATOM 0 H VAL A 22 -2.061 0.334 7.791 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.480 0.306 5.198 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.209 -1.221 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.297 -2.853 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.687 -2.976 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.882 -2.209 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.285 -0.717 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.829 0.074 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.767 0.773 4.873 1.00 0.00 H new ATOM 331 N THR A 23 -5.010 -1.533 5.945 1.00 0.00 N ATOM 332 CA THR A 23 -6.035 -2.383 6.465 1.00 0.00 C ATOM 333 C THR A 23 -6.320 -3.512 5.535 1.00 0.00 C ATOM 334 O THR A 23 -6.900 -3.377 4.458 1.00 0.00 O ATOM 335 CB THR A 23 -7.284 -1.650 6.856 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.284 -2.489 7.415 1.00 0.00 O ATOM 337 CG2 THR A 23 -7.923 -0.858 5.703 1.00 0.00 C ATOM 0 H THR A 23 -5.105 -1.337 4.949 1.00 0.00 H new ATOM 0 HA THR A 23 -5.643 -2.799 7.393 1.00 0.00 H new ATOM 0 HB THR A 23 -6.930 -0.954 7.616 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.069 -1.951 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.821 -0.355 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.214 -0.117 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.187 -1.541 4.895 1.00 0.00 H new ATOM 345 N GLY A 24 -5.900 -4.723 5.941 1.00 0.00 N ATOM 346 CA GLY A 24 -6.185 -5.958 5.277 1.00 0.00 C ATOM 347 C GLY A 24 -5.095 -6.342 4.337 1.00 0.00 C ATOM 348 O GLY A 24 -3.965 -6.604 4.752 1.00 0.00 O ATOM 0 H GLY A 24 -5.331 -4.847 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.322 -6.746 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.123 -5.869 4.729 1.00 0.00 H new ATOM 352 N GLY A 25 -5.399 -6.424 3.030 1.00 0.00 N ATOM 353 CA GLY A 25 -4.437 -6.693 2.007 1.00 0.00 C ATOM 354 C GLY A 25 -3.911 -8.087 1.960 1.00 0.00 C ATOM 355 O GLY A 25 -2.737 -8.330 1.688 1.00 0.00 O ATOM 0 H GLY A 25 -6.346 -6.299 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.887 -6.462 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.596 -6.012 2.137 1.00 0.00 H new ATOM 359 N VAL A 26 -4.778 -9.068 2.267 1.00 0.00 N ATOM 360 CA VAL A 26 -4.388 -10.431 2.458 1.00 0.00 C ATOM 361 C VAL A 26 -4.816 -11.314 1.335 1.00 0.00 C ATOM 362 O VAL A 26 -4.394 -11.142 0.193 1.00 0.00 O ATOM 363 CB VAL A 26 -4.779 -10.915 3.823 1.00 0.00 C ATOM 364 CG1 VAL A 26 -3.824 -10.255 4.832 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.229 -10.550 4.186 1.00 0.00 C ATOM 0 H VAL A 26 -5.779 -8.909 2.386 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.300 -10.482 2.427 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.712 -12.003 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.077 -10.583 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.798 -10.543 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.920 -9.171 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.460 -10.924 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.347 -9.467 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.909 -11.001 3.463 1.00 0.00 H new ATOM 375 N ASN A 27 -5.627 -12.346 1.625 1.00 0.00 N ATOM 376 CA ASN A 27 -6.001 -13.398 0.731 1.00 0.00 C ATOM 377 C ASN A 27 -7.081 -13.008 -0.219 1.00 0.00 C ATOM 378 O ASN A 27 -6.803 -12.604 -1.347 1.00 0.00 O ATOM 379 CB ASN A 27 -6.272 -14.688 1.523 1.00 0.00 C ATOM 380 CG ASN A 27 -7.191 -14.514 2.725 1.00 0.00 C ATOM 381 OD1 ASN A 27 -8.408 -14.628 2.599 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.633 -14.235 3.934 1.00 0.00 N ATOM 0 H ASN A 27 -6.050 -12.452 2.547 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.160 -13.606 0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.711 -15.426 0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.321 -15.095 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.227 -14.117 4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.621 -14.144 4.020 1.00 0.00 H new ATOM 389 N THR A 28 -8.358 -13.034 0.201 1.00 0.00 N ATOM 390 CA THR A 28 -9.465 -12.597 -0.593 1.00 0.00 C ATOM 391 C THR A 28 -10.226 -11.647 0.266 1.00 0.00 C ATOM 392 O THR A 28 -10.706 -11.964 1.353 1.00 0.00 O ATOM 393 CB THR A 28 -10.318 -13.691 -1.164 1.00 0.00 C ATOM 394 OG1 THR A 28 -11.439 -13.200 -1.884 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.847 -14.667 -0.101 1.00 0.00 C ATOM 0 H THR A 28 -8.630 -13.371 1.125 1.00 0.00 H new ATOM 0 HA THR A 28 -9.096 -12.118 -1.500 1.00 0.00 H new ATOM 0 HB THR A 28 -9.643 -14.217 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.958 -13.954 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.456 -15.433 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.008 -15.138 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.453 -14.123 0.623 1.00 0.00 H new ATOM 403 N SER A 29 -10.264 -10.376 -0.172 1.00 0.00 N ATOM 404 CA SER A 29 -10.691 -9.293 0.658 1.00 0.00 C ATOM 405 C SER A 29 -11.195 -8.174 -0.187 1.00 0.00 C ATOM 406 O SER A 29 -12.389 -8.079 -0.467 1.00 0.00 O ATOM 407 CB SER A 29 -9.556 -8.849 1.597 1.00 0.00 C ATOM 408 OG SER A 29 -9.989 -7.882 2.542 1.00 0.00 O ATOM 0 H SER A 29 -9.995 -10.096 -1.115 1.00 0.00 H new ATOM 0 HA SER A 29 -11.514 -9.625 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.162 -9.718 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.738 -8.436 1.006 1.00 0.00 H new ATOM 0 HG SER A 29 -9.238 -7.629 3.119 1.00 0.00 H new ATOM 414 N VAL A 30 -10.317 -7.274 -0.664 1.00 0.00 N ATOM 415 CA VAL A 30 -10.651 -6.232 -1.584 1.00 0.00 C ATOM 416 C VAL A 30 -10.835 -6.774 -2.959 1.00 0.00 C ATOM 417 O VAL A 30 -11.879 -6.601 -3.587 1.00 0.00 O ATOM 418 CB VAL A 30 -9.686 -5.091 -1.457 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.212 -5.470 -1.680 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.095 -3.931 -2.381 1.00 0.00 C ATOM 0 H VAL A 30 -9.333 -7.273 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.622 -5.804 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.747 -4.774 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.588 -4.584 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.914 -6.218 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.089 -5.877 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.383 -3.113 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.101 -4.275 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.091 -3.583 -2.108 1.00 0.00 H new ATOM 430 N ARG A 31 -9.839 -7.530 -3.454 1.00 0.00 N ATOM 431 CA ARG A 31 -9.941 -8.485 -4.514 1.00 0.00 C ATOM 432 C ARG A 31 -9.220 -9.678 -3.989 1.00 0.00 C ATOM 433 O ARG A 31 -9.077 -9.851 -2.779 1.00 0.00 O ATOM 434 CB ARG A 31 -9.258 -7.969 -5.791 1.00 0.00 C ATOM 435 CG ARG A 31 -10.049 -6.936 -6.597 1.00 0.00 C ATOM 436 CD ARG A 31 -11.223 -7.542 -7.369 1.00 0.00 C ATOM 437 NE ARG A 31 -11.614 -6.534 -8.394 1.00 0.00 N ATOM 438 CZ ARG A 31 -12.797 -6.556 -9.075 1.00 0.00 C ATOM 439 NH1 ARG A 31 -13.728 -7.541 -8.912 1.00 0.00 N ATOM 440 NH2 ARG A 31 -13.056 -5.564 -9.978 1.00 0.00 N ATOM 0 H ARG A 31 -8.890 -7.468 -3.084 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.976 -8.694 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.299 -7.531 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.046 -8.821 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.425 -6.168 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.378 -6.441 -7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.935 -8.483 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.056 -7.761 -6.701 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.957 -5.781 -8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.554 -8.304 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.598 -7.514 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.371 -4.824 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.934 -5.563 -10.497 1.00 0.00 H new ATOM 454 N HIS A 32 -8.673 -10.526 -4.878 1.00 0.00 N ATOM 455 CA HIS A 32 -7.567 -11.388 -4.600 1.00 0.00 C ATOM 456 C HIS A 32 -6.327 -10.563 -4.556 1.00 0.00 C ATOM 457 O HIS A 32 -5.752 -10.195 -5.579 1.00 0.00 O ATOM 458 CB HIS A 32 -7.431 -12.466 -5.689 1.00 0.00 C ATOM 459 CG HIS A 32 -7.416 -11.933 -7.092 1.00 0.00 C ATOM 460 ND1 HIS A 32 -8.591 -11.533 -7.696 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.368 -11.758 -7.939 1.00 0.00 C ATOM 462 CE1 HIS A 32 -8.242 -11.135 -8.906 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.903 -11.252 -9.107 1.00 0.00 N ATOM 0 H HIS A 32 -9.018 -10.614 -5.834 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.728 -11.887 -3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.512 -13.025 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.256 -13.171 -5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.328 -11.971 -7.739 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.936 -10.762 -9.645 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.392 -11.012 -9.957 1.00 0.00 H new ATOM 471 N GLY A 33 -5.887 -10.163 -3.350 1.00 0.00 N ATOM 472 CA GLY A 33 -4.842 -9.197 -3.210 1.00 0.00 C ATOM 473 C GLY A 33 -5.250 -7.798 -3.523 1.00 0.00 C ATOM 474 O GLY A 33 -6.419 -7.473 -3.720 1.00 0.00 O ATOM 0 H GLY A 33 -6.258 -10.511 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.466 -9.233 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.016 -9.476 -3.864 1.00 0.00 H new ATOM 478 N GLY A 34 -4.262 -6.885 -3.551 1.00 0.00 N ATOM 479 CA GLY A 34 -4.496 -5.477 -3.467 1.00 0.00 C ATOM 480 C GLY A 34 -4.355 -5.069 -2.041 1.00 0.00 C ATOM 481 O GLY A 34 -4.703 -5.836 -1.143 1.00 0.00 O ATOM 0 H GLY A 34 -3.276 -7.132 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.785 -4.935 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.493 -5.234 -3.836 1.00 0.00 H new ATOM 485 N ILE A 35 -3.875 -3.844 -1.762 1.00 0.00 N ATOM 486 CA ILE A 35 -3.706 -3.399 -0.413 1.00 0.00 C ATOM 487 C ILE A 35 -4.476 -2.127 -0.325 1.00 0.00 C ATOM 488 O ILE A 35 -4.480 -1.317 -1.252 1.00 0.00 O ATOM 489 CB ILE A 35 -2.283 -3.143 -0.018 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.285 -4.238 -0.432 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.196 -2.879 1.495 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.437 -5.583 0.281 1.00 0.00 C ATOM 0 H ILE A 35 -3.604 -3.162 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.050 -4.180 0.266 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.979 -2.259 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.382 -4.404 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.275 -3.868 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.158 -2.694 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.800 -2.008 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.568 -3.748 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.683 -6.278 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.306 -5.443 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.430 -5.988 0.086 1.00 0.00 H new ATOM 504 N TYR A 36 -5.174 -1.890 0.800 1.00 0.00 N ATOM 505 CA TYR A 36 -6.149 -0.849 0.912 1.00 0.00 C ATOM 506 C TYR A 36 -5.754 0.024 2.052 1.00 0.00 C ATOM 507 O TYR A 36 -5.178 -0.419 3.045 1.00 0.00 O ATOM 508 CB TYR A 36 -7.536 -1.466 1.159 1.00 0.00 C ATOM 509 CG TYR A 36 -8.622 -0.699 0.486 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.649 -0.615 -0.885 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.635 -0.118 1.212 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.678 0.033 -1.528 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.669 0.525 0.575 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.696 0.599 -0.798 1.00 0.00 C ATOM 515 OH TYR A 36 -11.764 1.240 -1.461 1.00 0.00 O ATOM 0 H TYR A 36 -5.058 -2.436 1.654 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.198 -0.262 -0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.543 -2.495 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.730 -1.502 2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.854 -1.062 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.618 -0.167 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.686 0.097 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.463 0.973 1.154 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.399 1.585 -0.800 1.00 0.00 H new ATOM 525 N VAL A 37 -5.976 1.343 1.910 1.00 0.00 N ATOM 526 CA VAL A 37 -5.519 2.306 2.865 1.00 0.00 C ATOM 527 C VAL A 37 -6.510 2.496 3.961 1.00 0.00 C ATOM 528 O VAL A 37 -7.703 2.688 3.732 1.00 0.00 O ATOM 529 CB VAL A 37 -5.202 3.628 2.232 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.662 4.617 3.279 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.148 3.434 1.128 1.00 0.00 C ATOM 0 H VAL A 37 -6.480 1.748 1.121 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.597 1.905 3.287 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.119 4.033 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.438 5.569 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.411 4.769 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.753 4.214 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.920 4.396 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.240 3.014 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.536 2.754 0.370 1.00 0.00 H new ATOM 541 N LYS A 38 -6.020 2.467 5.214 1.00 0.00 N ATOM 542 CA LYS A 38 -6.804 2.681 6.391 1.00 0.00 C ATOM 543 C LYS A 38 -6.921 4.136 6.694 1.00 0.00 C ATOM 544 O LYS A 38 -8.009 4.665 6.918 1.00 0.00 O ATOM 545 CB LYS A 38 -6.133 1.985 7.587 1.00 0.00 C ATOM 546 CG LYS A 38 -6.998 1.972 8.849 1.00 0.00 C ATOM 547 CD LYS A 38 -6.173 1.763 10.121 1.00 0.00 C ATOM 548 CE LYS A 38 -7.008 1.866 11.399 1.00 0.00 C ATOM 549 NZ LYS A 38 -7.629 3.203 11.526 1.00 0.00 N ATOM 0 H LYS A 38 -5.036 2.287 5.415 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.799 2.271 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.891 0.959 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.191 2.486 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.542 2.914 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.742 1.180 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.698 0.783 10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.374 2.504 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.784 1.101 11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.376 1.672 12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.956 3.343 12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.930 3.935 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.439 3.273 10.877 1.00 0.00 H new ATOM 563 N ALA A 39 -5.773 4.833 6.746 1.00 0.00 N ATOM 564 CA ALA A 39 -5.705 6.236 7.019 1.00 0.00 C ATOM 565 C ALA A 39 -4.334 6.705 6.674 1.00 0.00 C ATOM 566 O ALA A 39 -3.389 5.917 6.639 1.00 0.00 O ATOM 567 CB ALA A 39 -5.978 6.535 8.503 1.00 0.00 C ATOM 0 H ALA A 39 -4.859 4.406 6.593 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.463 6.750 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.918 7.610 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.974 6.180 8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.236 6.027 9.119 1.00 0.00 H new ATOM 573 N VAL A 40 -4.173 8.013 6.413 1.00 0.00 N ATOM 574 CA VAL A 40 -2.893 8.630 6.246 1.00 0.00 C ATOM 575 C VAL A 40 -2.408 9.153 7.554 1.00 0.00 C ATOM 576 O VAL A 40 -3.170 9.703 8.349 1.00 0.00 O ATOM 577 CB VAL A 40 -2.911 9.685 5.180 1.00 0.00 C ATOM 578 CG1 VAL A 40 -3.620 10.976 5.623 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.477 9.990 4.715 1.00 0.00 C ATOM 0 H VAL A 40 -4.954 8.661 6.315 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.188 7.874 5.901 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.489 9.285 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.600 11.700 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.654 10.752 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.109 11.392 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.501 10.757 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.888 10.346 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.024 9.083 4.313 1.00 0.00 H new ATOM 589 N ILE A 41 -1.113 8.970 7.870 1.00 0.00 N ATOM 590 CA ILE A 41 -0.524 9.498 9.060 1.00 0.00 C ATOM 591 C ILE A 41 -0.117 10.911 8.817 1.00 0.00 C ATOM 592 O ILE A 41 0.678 11.125 7.904 1.00 0.00 O ATOM 593 CB ILE A 41 0.627 8.653 9.518 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.202 7.204 9.813 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.321 9.269 10.745 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.825 7.027 10.930 1.00 0.00 C ATOM 0 H ILE A 41 -0.462 8.444 7.286 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.258 9.480 9.866 1.00 0.00 H new ATOM 0 HB ILE A 41 1.341 8.626 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.205 6.771 8.899 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.092 6.629 10.069 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.151 8.632 11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.699 10.259 10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.606 9.353 11.564 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.051 5.968 11.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.420 7.421 11.862 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.737 7.566 10.674 1.00 0.00 H new ATOM 608 N PRO A 42 -0.547 11.926 9.506 1.00 0.00 N ATOM 609 CA PRO A 42 -0.110 13.273 9.282 1.00 0.00 C ATOM 610 C PRO A 42 1.226 13.544 9.885 1.00 0.00 C ATOM 611 O PRO A 42 1.369 14.423 10.733 1.00 0.00 O ATOM 612 CB PRO A 42 -1.216 14.112 9.919 1.00 0.00 C ATOM 613 CG PRO A 42 -1.690 13.266 11.110 1.00 0.00 C ATOM 614 CD PRO A 42 -1.567 11.843 10.541 1.00 0.00 C ATOM 0 HA PRO A 42 0.033 13.498 8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.843 15.083 10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.028 14.301 9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.065 13.411 11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.713 13.504 11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.282 11.133 11.317 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.517 11.501 10.130 1.00 0.00 H new ATOM 622 N GLN A 43 2.264 12.803 9.458 1.00 0.00 N ATOM 623 CA GLN A 43 3.607 12.952 9.929 1.00 0.00 C ATOM 624 C GLN A 43 4.531 12.403 8.897 1.00 0.00 C ATOM 625 O GLN A 43 5.587 11.847 9.191 1.00 0.00 O ATOM 626 CB GLN A 43 3.789 12.254 11.287 1.00 0.00 C ATOM 627 CG GLN A 43 4.635 13.027 12.300 1.00 0.00 C ATOM 628 CD GLN A 43 6.117 13.088 11.954 1.00 0.00 C ATOM 629 OE1 GLN A 43 6.641 14.122 11.543 1.00 0.00 O ATOM 630 NE2 GLN A 43 6.835 11.951 12.163 1.00 0.00 N ATOM 0 H GLN A 43 2.164 12.070 8.756 1.00 0.00 H new ATOM 0 HA GLN A 43 3.835 14.006 10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.806 12.072 11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.249 11.280 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.249 14.043 12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.520 12.565 13.281 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.370 11.110 12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.838 11.940 11.978 1.00 0.00 H new ATOM 639 N GLY A 44 4.176 12.520 7.605 1.00 0.00 N ATOM 640 CA GLY A 44 5.025 12.018 6.569 1.00 0.00 C ATOM 641 C GLY A 44 4.538 12.373 5.207 1.00 0.00 C ATOM 642 O GLY A 44 3.469 12.955 5.031 1.00 0.00 O ATOM 0 H GLY A 44 3.313 12.956 7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.031 12.414 6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.094 10.934 6.655 1.00 0.00 H new ATOM 646 N ALA A 45 5.340 11.977 4.202 1.00 0.00 N ATOM 647 CA ALA A 45 5.200 12.193 2.795 1.00 0.00 C ATOM 648 C ALA A 45 3.834 12.148 2.200 1.00 0.00 C ATOM 649 O ALA A 45 3.475 13.028 1.419 1.00 0.00 O ATOM 650 CB ALA A 45 6.107 11.196 2.056 1.00 0.00 C ATOM 0 H ALA A 45 6.185 11.443 4.404 1.00 0.00 H new ATOM 0 HA ALA A 45 5.487 13.236 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.013 11.347 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.143 11.355 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.809 10.178 2.307 1.00 0.00 H new ATOM 656 N ALA A 46 3.008 11.146 2.549 1.00 0.00 N ATOM 657 CA ALA A 46 1.711 10.920 1.990 1.00 0.00 C ATOM 658 C ALA A 46 0.735 12.029 2.175 1.00 0.00 C ATOM 659 O ALA A 46 -0.008 12.367 1.255 1.00 0.00 O ATOM 660 CB ALA A 46 1.144 9.612 2.569 1.00 0.00 C ATOM 0 H ALA A 46 3.258 10.457 3.259 1.00 0.00 H new ATOM 0 HA ALA A 46 1.853 10.856 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.154 9.428 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.806 8.784 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.070 9.696 3.653 1.00 0.00 H new ATOM 666 N GLU A 47 0.729 12.660 3.363 1.00 0.00 N ATOM 667 CA GLU A 47 -0.068 13.804 3.678 1.00 0.00 C ATOM 668 C GLU A 47 0.607 15.066 3.262 1.00 0.00 C ATOM 669 O GLU A 47 -0.018 15.978 2.724 1.00 0.00 O ATOM 670 CB GLU A 47 -0.378 13.826 5.184 1.00 0.00 C ATOM 671 CG GLU A 47 -1.271 14.963 5.687 1.00 0.00 C ATOM 672 CD GLU A 47 -2.719 14.897 5.221 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.984 15.082 4.004 1.00 0.00 O ATOM 674 OE2 GLU A 47 -3.614 14.716 6.089 1.00 0.00 O ATOM 0 H GLU A 47 1.311 12.356 4.144 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.003 13.734 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.851 12.880 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.567 13.871 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.255 14.962 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.843 15.912 5.363 1.00 0.00 H new ATOM 681 N SER A 48 1.932 15.175 3.465 1.00 0.00 N ATOM 682 CA SER A 48 2.716 16.320 3.119 1.00 0.00 C ATOM 683 C SER A 48 2.711 16.666 1.671 1.00 0.00 C ATOM 684 O SER A 48 2.356 17.776 1.276 1.00 0.00 O ATOM 685 CB SER A 48 4.197 16.168 3.509 1.00 0.00 C ATOM 686 OG SER A 48 4.364 16.000 4.909 1.00 0.00 O ATOM 0 H SER A 48 2.483 14.429 3.891 1.00 0.00 H new ATOM 0 HA SER A 48 2.228 17.113 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.623 15.311 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.750 17.048 3.181 1.00 0.00 H new ATOM 0 HG SER A 48 4.126 15.083 5.159 1.00 0.00 H new ATOM 692 N ASP A 49 3.090 15.718 0.796 1.00 0.00 N ATOM 693 CA ASP A 49 3.068 15.895 -0.624 1.00 0.00 C ATOM 694 C ASP A 49 1.675 15.766 -1.134 1.00 0.00 C ATOM 695 O ASP A 49 1.295 16.400 -2.117 1.00 0.00 O ATOM 696 CB ASP A 49 4.039 14.899 -1.279 1.00 0.00 C ATOM 697 CG ASP A 49 4.375 15.320 -2.704 1.00 0.00 C ATOM 698 OD1 ASP A 49 4.945 16.426 -2.896 1.00 0.00 O ATOM 699 OD2 ASP A 49 4.071 14.558 -3.661 1.00 0.00 O ATOM 0 H ASP A 49 3.423 14.798 1.085 1.00 0.00 H new ATOM 0 HA ASP A 49 3.405 16.898 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.954 14.836 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.595 13.904 -1.285 1.00 0.00 H new ATOM 704 N GLY A 50 0.833 14.968 -0.454 1.00 0.00 N ATOM 705 CA GLY A 50 -0.582 14.944 -0.655 1.00 0.00 C ATOM 706 C GLY A 50 -0.985 14.037 -1.767 1.00 0.00 C ATOM 707 O GLY A 50 -1.340 14.493 -2.853 1.00 0.00 O ATOM 0 H GLY A 50 1.150 14.315 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.071 14.625 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.933 15.954 -0.869 1.00 0.00 H new ATOM 711 N ARG A 51 -0.986 12.714 -1.525 1.00 0.00 N ATOM 712 CA ARG A 51 -1.088 11.751 -2.577 1.00 0.00 C ATOM 713 C ARG A 51 -2.022 10.640 -2.244 1.00 0.00 C ATOM 714 O ARG A 51 -2.943 10.356 -3.009 1.00 0.00 O ATOM 715 CB ARG A 51 0.278 11.109 -2.873 1.00 0.00 C ATOM 716 CG ARG A 51 1.343 12.051 -3.440 1.00 0.00 C ATOM 717 CD ARG A 51 1.057 12.556 -4.856 1.00 0.00 C ATOM 718 NE ARG A 51 2.240 13.398 -5.192 1.00 0.00 N ATOM 719 CZ ARG A 51 2.998 13.285 -6.322 1.00 0.00 C ATOM 720 NH1 ARG A 51 2.567 12.657 -7.455 1.00 0.00 N ATOM 721 NH2 ARG A 51 4.249 13.827 -6.277 1.00 0.00 N ATOM 0 H ARG A 51 -0.915 12.309 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.462 12.302 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.660 10.670 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.130 10.291 -3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.442 12.909 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.303 11.535 -3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.944 11.730 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.134 13.134 -4.893 1.00 0.00 H new ATOM 0 HE ARG A 51 2.506 14.119 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.635 12.243 -7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.176 12.602 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.575 14.288 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.859 13.771 -7.093 1.00 0.00 H new ATOM 735 N ILE A 52 -1.846 9.952 -1.102 1.00 0.00 N ATOM 736 CA ILE A 52 -2.509 8.712 -0.843 1.00 0.00 C ATOM 737 C ILE A 52 -3.179 8.850 0.481 1.00 0.00 C ATOM 738 O ILE A 52 -2.560 9.243 1.468 1.00 0.00 O ATOM 739 CB ILE A 52 -1.582 7.533 -0.850 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.689 7.540 -2.103 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.432 6.253 -0.803 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.266 6.354 -2.221 1.00 0.00 C ATOM 0 H ILE A 52 -1.234 10.261 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.226 8.515 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.924 7.580 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.328 7.562 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.104 8.460 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.778 5.381 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.035 6.250 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.087 6.219 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.852 6.448 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.935 6.339 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.307 5.427 -2.251 1.00 0.00 H new ATOM 754 N HIS A 53 -4.497 8.586 0.537 1.00 0.00 N ATOM 755 CA HIS A 53 -5.314 8.779 1.694 1.00 0.00 C ATOM 756 C HIS A 53 -6.166 7.567 1.860 1.00 0.00 C ATOM 757 O HIS A 53 -5.995 6.556 1.180 1.00 0.00 O ATOM 758 CB HIS A 53 -6.178 10.047 1.586 1.00 0.00 C ATOM 759 CG HIS A 53 -5.500 11.296 2.065 1.00 0.00 C ATOM 760 ND1 HIS A 53 -6.083 11.980 3.113 1.00 0.00 N ATOM 761 CD2 HIS A 53 -4.344 11.904 1.688 1.00 0.00 C ATOM 762 CE1 HIS A 53 -5.260 12.978 3.379 1.00 0.00 C ATOM 763 NE2 HIS A 53 -4.193 12.983 2.535 1.00 0.00 N ATOM 0 H HIS A 53 -5.016 8.221 -0.262 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.676 8.919 2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.474 10.184 0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.092 9.900 2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.681 11.604 0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.415 13.700 4.168 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.427 13.656 2.529 1.00 0.00 H new ATOM 771 N LYS A 54 -7.142 7.616 2.785 1.00 0.00 N ATOM 772 CA LYS A 54 -8.027 6.540 3.105 1.00 0.00 C ATOM 773 C LYS A 54 -8.798 6.019 1.942 1.00 0.00 C ATOM 774 O LYS A 54 -9.436 6.768 1.202 1.00 0.00 O ATOM 775 CB LYS A 54 -9.000 6.959 4.220 1.00 0.00 C ATOM 776 CG LYS A 54 -10.073 5.932 4.585 1.00 0.00 C ATOM 777 CD LYS A 54 -10.878 6.359 5.815 1.00 0.00 C ATOM 778 CE LYS A 54 -11.931 5.345 6.266 1.00 0.00 C ATOM 779 NZ LYS A 54 -13.084 5.289 5.338 1.00 0.00 N ATOM 0 H LYS A 54 -7.322 8.453 3.339 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.386 5.725 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.421 7.186 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.495 7.882 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.747 5.796 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.602 4.968 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.189 6.540 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.373 7.306 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.475 4.357 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.282 5.607 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.773 4.590 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.536 6.224 5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.754 5.014 4.391 1.00 0.00 H new ATOM 793 N GLY A 55 -8.772 4.692 1.732 1.00 0.00 N ATOM 794 CA GLY A 55 -9.504 4.037 0.693 1.00 0.00 C ATOM 795 C GLY A 55 -8.977 4.141 -0.697 1.00 0.00 C ATOM 796 O GLY A 55 -9.730 3.914 -1.642 1.00 0.00 O ATOM 0 H GLY A 55 -8.222 4.052 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.573 2.979 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.519 4.433 0.697 1.00 0.00 H new ATOM 800 N ASP A 56 -7.678 4.429 -0.894 1.00 0.00 N ATOM 801 CA ASP A 56 -7.011 4.166 -2.131 1.00 0.00 C ATOM 802 C ASP A 56 -6.607 2.733 -2.187 1.00 0.00 C ATOM 803 O ASP A 56 -6.499 2.063 -1.161 1.00 0.00 O ATOM 804 CB ASP A 56 -5.772 5.063 -2.301 1.00 0.00 C ATOM 805 CG ASP A 56 -6.156 6.518 -2.531 1.00 0.00 C ATOM 806 OD1 ASP A 56 -6.896 6.792 -3.513 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.722 7.413 -1.757 1.00 0.00 O ATOM 0 H ASP A 56 -7.081 4.851 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.702 4.387 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.144 4.989 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.178 4.706 -3.142 1.00 0.00 H new ATOM 812 N ARG A 57 -6.365 2.184 -3.391 1.00 0.00 N ATOM 813 CA ARG A 57 -5.985 0.817 -3.568 1.00 0.00 C ATOM 814 C ARG A 57 -4.677 0.773 -4.281 1.00 0.00 C ATOM 815 O ARG A 57 -4.556 1.215 -5.422 1.00 0.00 O ATOM 816 CB ARG A 57 -7.015 0.001 -4.366 1.00 0.00 C ATOM 817 CG ARG A 57 -6.638 -1.470 -4.554 1.00 0.00 C ATOM 818 CD ARG A 57 -7.763 -2.418 -4.976 1.00 0.00 C ATOM 819 NE ARG A 57 -8.318 -2.002 -6.295 1.00 0.00 N ATOM 820 CZ ARG A 57 -7.927 -2.487 -7.510 1.00 0.00 C ATOM 821 NH1 ARG A 57 -6.985 -3.462 -7.668 1.00 0.00 N ATOM 822 NH2 ARG A 57 -8.519 -1.999 -8.639 1.00 0.00 N ATOM 0 H ARG A 57 -6.436 2.705 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.919 0.368 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.978 0.056 -3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.145 0.460 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.847 -1.526 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.217 -1.836 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.385 -3.438 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.552 -2.415 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.053 -1.295 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.531 -3.870 -6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.735 -3.783 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.242 -1.283 -8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.239 -2.350 -9.555 1.00 0.00 H new ATOM 836 N VAL A 58 -3.628 0.244 -3.627 1.00 0.00 N ATOM 837 CA VAL A 58 -2.312 0.179 -4.183 1.00 0.00 C ATOM 838 C VAL A 58 -2.039 -1.199 -4.682 1.00 0.00 C ATOM 839 O VAL A 58 -2.384 -2.199 -4.054 1.00 0.00 O ATOM 840 CB VAL A 58 -1.251 0.655 -3.234 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.493 2.137 -2.901 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.242 -0.155 -1.926 1.00 0.00 C ATOM 0 H VAL A 58 -3.696 -0.149 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.275 0.869 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.286 0.520 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.724 2.485 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.454 2.727 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.473 2.251 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.459 0.223 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.209 -0.058 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.052 -1.205 -2.149 1.00 0.00 H new ATOM 852 N LEU A 59 -1.406 -1.304 -5.864 1.00 0.00 N ATOM 853 CA LEU A 59 -1.247 -2.539 -6.566 1.00 0.00 C ATOM 854 C LEU A 59 0.201 -2.826 -6.771 1.00 0.00 C ATOM 855 O LEU A 59 0.823 -3.517 -5.967 1.00 0.00 O ATOM 856 CB LEU A 59 -2.032 -2.497 -7.888 1.00 0.00 C ATOM 857 CG LEU A 59 -2.105 -3.819 -8.671 1.00 0.00 C ATOM 858 CD1 LEU A 59 -2.936 -4.887 -7.939 1.00 0.00 C ATOM 859 CD2 LEU A 59 -2.697 -3.576 -10.069 1.00 0.00 C ATOM 0 H LEU A 59 -0.992 -0.506 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.657 -3.357 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.049 -2.168 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.582 -1.741 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.086 -4.195 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.957 -5.801 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.487 -5.095 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.953 -4.523 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.743 -4.519 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.701 -3.163 -9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.067 -2.873 -10.614 1.00 0.00 H new ATOM 871 N ALA A 60 0.831 -2.318 -7.845 1.00 0.00 N ATOM 872 CA ALA A 60 2.155 -2.727 -8.198 1.00 0.00 C ATOM 873 C ALA A 60 3.218 -1.938 -7.512 1.00 0.00 C ATOM 874 O ALA A 60 3.181 -0.710 -7.480 1.00 0.00 O ATOM 875 CB ALA A 60 2.347 -2.689 -9.723 1.00 0.00 C ATOM 0 H ALA A 60 0.423 -1.623 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 60 2.263 -3.754 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.361 -3.004 -9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.633 -3.362 -10.197 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.184 -1.674 -10.085 1.00 0.00 H new ATOM 881 N VAL A 61 4.220 -2.630 -6.939 1.00 0.00 N ATOM 882 CA VAL A 61 5.327 -2.055 -6.240 1.00 0.00 C ATOM 883 C VAL A 61 6.522 -2.114 -7.129 1.00 0.00 C ATOM 884 O VAL A 61 7.229 -3.114 -7.253 1.00 0.00 O ATOM 885 CB VAL A 61 5.510 -2.632 -4.867 1.00 0.00 C ATOM 886 CG1 VAL A 61 5.663 -4.162 -4.842 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.667 -1.940 -4.128 1.00 0.00 C ATOM 0 H VAL A 61 4.259 -3.649 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 61 5.137 -1.004 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 61 4.581 -2.428 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.791 -4.498 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.772 -4.624 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.535 -4.450 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.778 -2.377 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.591 -2.076 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.453 -0.875 -4.034 1.00 0.00 H new ATOM 897 N ASN A 62 6.755 -1.017 -7.871 1.00 0.00 N ATOM 898 CA ASN A 62 7.757 -0.873 -8.880 1.00 0.00 C ATOM 899 C ASN A 62 7.673 -1.898 -9.958 1.00 0.00 C ATOM 900 O ASN A 62 8.628 -2.613 -10.258 1.00 0.00 O ATOM 901 CB ASN A 62 9.159 -0.655 -8.283 1.00 0.00 C ATOM 902 CG ASN A 62 10.119 -0.134 -9.343 1.00 0.00 C ATOM 903 OD1 ASN A 62 9.790 0.783 -10.093 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.330 -0.743 -9.455 1.00 0.00 N ATOM 0 H ASN A 62 6.201 -0.168 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 62 7.537 0.054 -9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.102 0.054 -7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.535 -1.592 -7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.988 -0.441 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.580 -1.502 -8.821 1.00 0.00 H new ATOM 911 N GLY A 63 6.489 -2.021 -10.582 1.00 0.00 N ATOM 912 CA GLY A 63 6.245 -2.935 -11.656 1.00 0.00 C ATOM 913 C GLY A 63 5.566 -4.190 -11.229 1.00 0.00 C ATOM 914 O GLY A 63 4.617 -4.641 -11.869 1.00 0.00 O ATOM 0 H GLY A 63 5.672 -1.465 -10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.634 -2.440 -12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.194 -3.188 -12.129 1.00 0.00 H new ATOM 918 N VAL A 64 6.025 -4.818 -10.132 1.00 0.00 N ATOM 919 CA VAL A 64 5.597 -6.120 -9.724 1.00 0.00 C ATOM 920 C VAL A 64 4.360 -6.048 -8.895 1.00 0.00 C ATOM 921 O VAL A 64 4.282 -5.293 -7.927 1.00 0.00 O ATOM 922 CB VAL A 64 6.683 -6.841 -8.982 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.296 -8.304 -8.709 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.978 -6.810 -9.812 1.00 0.00 C ATOM 0 H VAL A 64 6.718 -4.405 -9.507 1.00 0.00 H new ATOM 0 HA VAL A 64 5.368 -6.685 -10.628 1.00 0.00 H new ATOM 0 HB VAL A 64 6.832 -6.338 -8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.104 -8.799 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.387 -8.334 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.123 -8.817 -9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.768 -7.334 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.807 -7.299 -10.771 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.278 -5.776 -9.980 1.00 0.00 H new ATOM 934 N SER A 65 3.319 -6.824 -9.240 1.00 0.00 N ATOM 935 CA SER A 65 2.108 -6.883 -8.481 1.00 0.00 C ATOM 936 C SER A 65 2.243 -7.732 -7.264 1.00 0.00 C ATOM 937 O SER A 65 3.110 -8.599 -7.161 1.00 0.00 O ATOM 938 CB SER A 65 0.899 -7.346 -9.309 1.00 0.00 C ATOM 939 OG SER A 65 -0.331 -7.173 -8.620 1.00 0.00 O ATOM 0 H SER A 65 3.317 -7.424 -10.065 1.00 0.00 H new ATOM 0 HA SER A 65 1.922 -5.856 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.869 -6.788 -10.245 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.022 -8.398 -9.568 1.00 0.00 H new ATOM 0 HG SER A 65 -1.058 -7.573 -9.142 1.00 0.00 H new ATOM 945 N LEU A 66 1.385 -7.492 -6.256 1.00 0.00 N ATOM 946 CA LEU A 66 1.419 -8.133 -4.978 1.00 0.00 C ATOM 947 C LEU A 66 0.500 -9.300 -4.862 1.00 0.00 C ATOM 948 O LEU A 66 0.589 -10.093 -3.927 1.00 0.00 O ATOM 949 CB LEU A 66 1.228 -7.103 -3.850 1.00 0.00 C ATOM 950 CG LEU A 66 -0.168 -6.563 -3.502 1.00 0.00 C ATOM 951 CD1 LEU A 66 -0.987 -6.078 -4.710 1.00 0.00 C ATOM 952 CD2 LEU A 66 -0.997 -7.511 -2.617 1.00 0.00 C ATOM 0 H LEU A 66 0.627 -6.814 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 66 2.413 -8.567 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.635 -7.545 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.852 -6.243 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 66 0.053 -5.676 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.957 -5.715 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.453 -5.271 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.133 -6.904 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.969 -7.062 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.137 -8.461 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.473 -7.682 -1.677 1.00 0.00 H new ATOM 964 N GLU A 67 -0.440 -9.452 -5.812 1.00 0.00 N ATOM 965 CA GLU A 67 -1.534 -10.371 -5.740 1.00 0.00 C ATOM 966 C GLU A 67 -1.151 -11.810 -5.771 1.00 0.00 C ATOM 967 O GLU A 67 -0.377 -12.274 -6.607 1.00 0.00 O ATOM 968 CB GLU A 67 -2.575 -10.018 -6.816 1.00 0.00 C ATOM 969 CG GLU A 67 -2.104 -10.232 -8.256 1.00 0.00 C ATOM 970 CD GLU A 67 -2.806 -9.310 -9.242 1.00 0.00 C ATOM 971 OE1 GLU A 67 -4.065 -9.273 -9.278 1.00 0.00 O ATOM 972 OE2 GLU A 67 -2.080 -8.622 -10.009 1.00 0.00 O ATOM 0 H GLU A 67 -0.437 -8.906 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.977 -10.250 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.469 -10.618 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.864 -8.974 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.028 -10.066 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.282 -11.268 -8.543 1.00 0.00 H new ATOM 979 N GLY A 68 -1.654 -12.584 -4.792 1.00 0.00 N ATOM 980 CA GLY A 68 -1.259 -13.936 -4.545 1.00 0.00 C ATOM 981 C GLY A 68 -0.575 -14.021 -3.224 1.00 0.00 C ATOM 982 O GLY A 68 -0.909 -14.844 -2.373 1.00 0.00 O ATOM 0 H GLY A 68 -2.368 -12.252 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.132 -14.589 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.592 -14.281 -5.335 1.00 0.00 H new ATOM 986 N ALA A 69 0.428 -13.150 -3.013 1.00 0.00 N ATOM 987 CA ALA A 69 1.086 -12.933 -1.762 1.00 0.00 C ATOM 988 C ALA A 69 0.285 -12.080 -0.839 1.00 0.00 C ATOM 989 O ALA A 69 -0.515 -11.249 -1.261 1.00 0.00 O ATOM 990 CB ALA A 69 2.469 -12.335 -2.074 1.00 0.00 C ATOM 0 H ALA A 69 0.801 -12.563 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 69 1.201 -13.876 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.006 -12.154 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.037 -13.033 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.346 -11.394 -2.611 1.00 0.00 H new ATOM 996 N THR A 70 0.443 -12.239 0.488 1.00 0.00 N ATOM 997 CA THR A 70 -0.315 -11.535 1.474 1.00 0.00 C ATOM 998 C THR A 70 0.382 -10.305 1.946 1.00 0.00 C ATOM 999 O THR A 70 1.481 -9.971 1.506 1.00 0.00 O ATOM 1000 CB THR A 70 -0.638 -12.386 2.667 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.519 -13.032 3.177 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.648 -13.477 2.274 1.00 0.00 C ATOM 0 H THR A 70 1.125 -12.883 0.888 1.00 0.00 H new ATOM 0 HA THR A 70 -1.243 -11.257 0.974 1.00 0.00 H new ATOM 0 HB THR A 70 -1.050 -11.726 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.274 -13.577 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.878 -14.091 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.562 -13.011 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.221 -14.103 1.491 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.244 -9.581 2.891 1.00 0.00 N ATOM 1011 CA HIS A 71 0.233 -8.455 3.632 1.00 0.00 C ATOM 1012 C HIS A 71 1.567 -8.638 4.269 1.00 0.00 C ATOM 1013 O HIS A 71 2.404 -7.737 4.282 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.818 -8.122 4.704 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.570 -6.903 5.542 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.251 -5.667 5.017 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -0.694 -6.713 6.883 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.189 -4.799 6.061 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -0.461 -5.392 7.209 1.00 0.00 N ATOM 0 H HIS A 71 -1.198 -9.816 3.165 1.00 0.00 H new ATOM 0 HA HIS A 71 0.375 -7.641 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.782 -8.003 4.209 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.906 -8.980 5.371 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.092 -5.447 4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.940 -7.488 7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.053 -3.751 5.963 1.00 0.00 H new ATOM 1027 N LYS A 72 1.844 -9.849 4.785 1.00 0.00 N ATOM 1028 CA LYS A 72 3.095 -10.271 5.336 1.00 0.00 C ATOM 1029 C LYS A 72 4.248 -10.136 4.402 1.00 0.00 C ATOM 1030 O LYS A 72 5.315 -9.622 4.733 1.00 0.00 O ATOM 1031 CB LYS A 72 2.947 -11.752 5.724 1.00 0.00 C ATOM 1032 CG LYS A 72 4.126 -12.373 6.477 1.00 0.00 C ATOM 1033 CD LYS A 72 4.157 -12.046 7.971 1.00 0.00 C ATOM 1034 CE LYS A 72 3.042 -12.668 8.815 1.00 0.00 C ATOM 1035 NZ LYS A 72 3.048 -14.143 8.687 1.00 0.00 N ATOM 0 H LYS A 72 1.141 -10.587 4.819 1.00 0.00 H new ATOM 0 HA LYS A 72 3.315 -9.625 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.053 -11.858 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.778 -12.329 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.092 -13.455 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.055 -12.030 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.116 -12.371 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.113 -10.963 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.172 -12.388 9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.076 -12.275 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.402 -14.555 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.735 -14.410 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.011 -14.502 8.849 1.00 0.00 H new ATOM 1049 N GLN A 73 4.058 -10.598 3.154 1.00 0.00 N ATOM 1050 CA GLN A 73 5.043 -10.589 2.117 1.00 0.00 C ATOM 1051 C GLN A 73 5.183 -9.233 1.520 1.00 0.00 C ATOM 1052 O GLN A 73 6.280 -8.785 1.188 1.00 0.00 O ATOM 1053 CB GLN A 73 4.612 -11.668 1.109 1.00 0.00 C ATOM 1054 CG GLN A 73 5.557 -11.939 -0.064 1.00 0.00 C ATOM 1055 CD GLN A 73 6.969 -12.261 0.404 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.176 -13.113 1.267 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.976 -11.557 -0.181 1.00 0.00 N ATOM 0 H GLN A 73 3.170 -10.999 2.852 1.00 0.00 H new ATOM 0 HA GLN A 73 6.039 -10.821 2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.470 -12.602 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.641 -11.384 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.172 -12.770 -0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.582 -11.068 -0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.763 -10.859 -0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.944 -11.728 0.093 1.00 0.00 H new ATOM 1066 N ALA A 74 4.072 -8.480 1.430 1.00 0.00 N ATOM 1067 CA ALA A 74 4.023 -7.118 0.998 1.00 0.00 C ATOM 1068 C ALA A 74 4.827 -6.179 1.831 1.00 0.00 C ATOM 1069 O ALA A 74 5.635 -5.413 1.309 1.00 0.00 O ATOM 1070 CB ALA A 74 2.561 -6.642 0.964 1.00 0.00 C ATOM 0 H ALA A 74 3.152 -8.846 1.674 1.00 0.00 H new ATOM 0 HA ALA A 74 4.470 -7.102 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.524 -5.604 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.992 -7.263 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.129 -6.722 1.962 1.00 0.00 H new ATOM 1076 N VAL A 75 4.684 -6.209 3.167 1.00 0.00 N ATOM 1077 CA VAL A 75 5.379 -5.318 4.044 1.00 0.00 C ATOM 1078 C VAL A 75 6.850 -5.544 4.098 1.00 0.00 C ATOM 1079 O VAL A 75 7.637 -4.614 4.267 1.00 0.00 O ATOM 1080 CB VAL A 75 4.740 -5.258 5.399 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.966 -6.529 6.238 1.00 0.00 C ATOM 1082 CG2 VAL A 75 5.201 -4.005 6.161 1.00 0.00 C ATOM 0 H VAL A 75 4.072 -6.867 3.650 1.00 0.00 H new ATOM 0 HA VAL A 75 5.277 -4.327 3.603 1.00 0.00 H new ATOM 0 HB VAL A 75 3.665 -5.196 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.477 -6.418 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.546 -7.389 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.035 -6.681 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.726 -3.980 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.284 -4.031 6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.921 -3.114 5.599 1.00 0.00 H new ATOM 1092 N GLU A 76 7.324 -6.785 3.884 1.00 0.00 N ATOM 1093 CA GLU A 76 8.714 -7.071 3.709 1.00 0.00 C ATOM 1094 C GLU A 76 9.241 -6.569 2.408 1.00 0.00 C ATOM 1095 O GLU A 76 10.348 -6.038 2.318 1.00 0.00 O ATOM 1096 CB GLU A 76 8.995 -8.574 3.860 1.00 0.00 C ATOM 1097 CG GLU A 76 10.484 -8.918 3.778 1.00 0.00 C ATOM 1098 CD GLU A 76 10.792 -10.337 4.237 1.00 0.00 C ATOM 1099 OE1 GLU A 76 11.062 -10.547 5.450 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.798 -11.259 3.379 1.00 0.00 O ATOM 0 H GLU A 76 6.726 -7.610 3.831 1.00 0.00 H new ATOM 0 HA GLU A 76 9.242 -6.536 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.601 -8.917 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.459 -9.118 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.824 -8.792 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.048 -8.214 4.389 1.00 0.00 H new ATOM 1107 N THR A 77 8.447 -6.675 1.328 1.00 0.00 N ATOM 1108 CA THR A 77 8.784 -6.231 0.011 1.00 0.00 C ATOM 1109 C THR A 77 8.924 -4.750 -0.066 1.00 0.00 C ATOM 1110 O THR A 77 9.873 -4.236 -0.656 1.00 0.00 O ATOM 1111 CB THR A 77 7.812 -6.722 -1.020 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.781 -8.141 -1.007 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.227 -6.330 -2.448 1.00 0.00 C ATOM 0 H THR A 77 7.518 -7.094 1.377 1.00 0.00 H new ATOM 0 HA THR A 77 9.756 -6.670 -0.213 1.00 0.00 H new ATOM 0 HB THR A 77 6.850 -6.274 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.311 -8.451 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.491 -6.709 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.281 -5.244 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.203 -6.759 -2.674 1.00 0.00 H new ATOM 1121 N LEU A 78 8.008 -3.984 0.556 1.00 0.00 N ATOM 1122 CA LEU A 78 8.011 -2.556 0.482 1.00 0.00 C ATOM 1123 C LEU A 78 8.983 -1.877 1.384 1.00 0.00 C ATOM 1124 O LEU A 78 9.706 -0.987 0.938 1.00 0.00 O ATOM 1125 CB LEU A 78 6.597 -1.996 0.712 1.00 0.00 C ATOM 1126 CG LEU A 78 6.380 -0.564 0.197 1.00 0.00 C ATOM 1127 CD1 LEU A 78 4.928 -0.370 -0.276 1.00 0.00 C ATOM 1128 CD2 LEU A 78 6.722 0.524 1.228 1.00 0.00 C ATOM 0 H LEU A 78 7.250 -4.366 1.122 1.00 0.00 H new ATOM 0 HA LEU A 78 8.348 -2.332 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.877 -2.655 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.381 -2.020 1.780 1.00 0.00 H new ATOM 0 HG LEU A 78 7.072 -0.447 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.796 0.650 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.711 -1.071 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.247 -0.552 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.544 1.507 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.095 0.399 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.771 0.438 1.513 1.00 0.00 H new ATOM 1140 N ARG A 79 9.082 -2.239 2.676 1.00 0.00 N ATOM 1141 CA ARG A 79 9.954 -1.571 3.590 1.00 0.00 C ATOM 1142 C ARG A 79 11.392 -1.600 3.198 1.00 0.00 C ATOM 1143 O ARG A 79 12.129 -0.634 3.385 1.00 0.00 O ATOM 1144 CB ARG A 79 9.880 -2.125 5.023 1.00 0.00 C ATOM 1145 CG ARG A 79 8.630 -1.709 5.801 1.00 0.00 C ATOM 1146 CD ARG A 79 8.861 -1.848 7.307 1.00 0.00 C ATOM 1147 NE ARG A 79 7.584 -1.523 8.005 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.006 -2.364 8.911 1.00 0.00 C ATOM 1149 NH1 ARG A 79 7.359 -3.673 9.061 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.005 -1.898 9.714 1.00 0.00 N ATOM 0 H ARG A 79 8.550 -3.004 3.091 1.00 0.00 H new ATOM 0 HA ARG A 79 9.584 -0.546 3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.921 -3.213 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.761 -1.794 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.372 -0.677 5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.785 -2.327 5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.181 -2.861 7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.655 -1.176 7.634 1.00 0.00 H new ATOM 0 HE ARG A 79 7.124 -0.637 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.093 -4.073 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.889 -4.251 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.696 -0.929 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.566 -2.519 10.394 1.00 0.00 H new ATOM 1164 N ASN A 80 11.852 -2.711 2.596 1.00 0.00 N ATOM 1165 CA ASN A 80 13.230 -2.874 2.248 1.00 0.00 C ATOM 1166 C ASN A 80 13.487 -2.408 0.855 1.00 0.00 C ATOM 1167 O ASN A 80 13.978 -3.138 -0.003 1.00 0.00 O ATOM 1168 CB ASN A 80 13.675 -4.325 2.488 1.00 0.00 C ATOM 1169 CG ASN A 80 13.418 -4.662 3.950 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.038 -4.125 4.867 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.424 -5.554 4.202 1.00 0.00 N ATOM 0 H ASN A 80 11.262 -3.505 2.348 1.00 0.00 H new ATOM 0 HA ASN A 80 13.839 -2.245 2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.124 -5.005 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.732 -4.443 2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.181 -5.788 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.921 -5.989 3.429 1.00 0.00 H new ATOM 1178 N THR A 81 13.132 -1.139 0.582 1.00 0.00 N ATOM 1179 CA THR A 81 13.369 -0.429 -0.636 1.00 0.00 C ATOM 1180 C THR A 81 14.392 0.630 -0.411 1.00 0.00 C ATOM 1181 O THR A 81 15.521 0.530 -0.889 1.00 0.00 O ATOM 1182 CB THR A 81 12.134 0.168 -1.243 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.308 0.809 -0.283 1.00 0.00 O ATOM 1184 CG2 THR A 81 11.295 -0.947 -1.890 1.00 0.00 C ATOM 0 H THR A 81 12.641 -0.566 1.268 1.00 0.00 H new ATOM 0 HA THR A 81 13.732 -1.164 -1.354 1.00 0.00 H new ATOM 0 HB THR A 81 12.469 0.907 -1.970 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.814 0.133 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.397 -0.516 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.881 -1.440 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.012 -1.676 -1.131 1.00 0.00 H new ATOM 1192 N GLY A 82 14.047 1.682 0.352 1.00 0.00 N ATOM 1193 CA GLY A 82 14.942 2.732 0.730 1.00 0.00 C ATOM 1194 C GLY A 82 14.545 4.071 0.211 1.00 0.00 C ATOM 1195 O GLY A 82 13.634 4.697 0.750 1.00 0.00 O ATOM 0 H GLY A 82 13.104 1.807 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.999 2.776 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.942 2.493 0.368 1.00 0.00 H new ATOM 1199 N GLN A 83 15.250 4.583 -0.813 1.00 0.00 N ATOM 1200 CA GLN A 83 15.208 5.965 -1.176 1.00 0.00 C ATOM 1201 C GLN A 83 14.038 6.365 -2.008 1.00 0.00 C ATOM 1202 O GLN A 83 13.418 7.398 -1.761 1.00 0.00 O ATOM 1203 CB GLN A 83 16.530 6.380 -1.845 1.00 0.00 C ATOM 1204 CG GLN A 83 16.732 7.891 -1.972 1.00 0.00 C ATOM 1205 CD GLN A 83 18.145 8.214 -2.435 1.00 0.00 C ATOM 1206 OE1 GLN A 83 19.105 8.189 -1.665 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.307 8.516 -3.752 1.00 0.00 N ATOM 0 H GLN A 83 15.865 4.022 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 83 15.077 6.508 -0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.358 5.963 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.574 5.936 -2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.011 8.300 -2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.542 8.369 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.499 8.532 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.236 8.727 -4.116 1.00 0.00 H new ATOM 1216 N VAL A 84 13.692 5.582 -3.044 1.00 0.00 N ATOM 1217 CA VAL A 84 12.661 5.915 -3.977 1.00 0.00 C ATOM 1218 C VAL A 84 11.415 5.135 -3.734 1.00 0.00 C ATOM 1219 O VAL A 84 11.427 4.051 -3.155 1.00 0.00 O ATOM 1220 CB VAL A 84 13.074 5.748 -5.410 1.00 0.00 C ATOM 1221 CG1 VAL A 84 14.188 6.760 -5.723 1.00 0.00 C ATOM 1222 CG2 VAL A 84 13.538 4.312 -5.711 1.00 0.00 C ATOM 0 H VAL A 84 14.144 4.689 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 84 12.466 6.974 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 84 12.211 5.936 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.498 6.650 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.817 7.772 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.040 6.577 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.828 4.235 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.392 4.066 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.724 3.616 -5.508 1.00 0.00 H new ATOM 1232 N VAL A 85 10.266 5.686 -4.164 1.00 0.00 N ATOM 1233 CA VAL A 85 8.983 5.070 -4.025 1.00 0.00 C ATOM 1234 C VAL A 85 8.307 5.105 -5.352 1.00 0.00 C ATOM 1235 O VAL A 85 7.968 6.178 -5.850 1.00 0.00 O ATOM 1236 CB VAL A 85 8.131 5.766 -3.005 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.773 5.057 -2.871 1.00 0.00 C ATOM 1238 CG2 VAL A 85 8.831 5.776 -1.635 1.00 0.00 C ATOM 0 H VAL A 85 10.229 6.595 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 85 9.122 4.045 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 85 7.975 6.792 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.165 5.573 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.259 5.070 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.931 4.025 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.199 6.285 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.007 4.751 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.784 6.299 -1.717 1.00 0.00 H new ATOM 1248 N HIS A 86 8.081 3.951 -6.005 1.00 0.00 N ATOM 1249 CA HIS A 86 7.426 3.906 -7.276 1.00 0.00 C ATOM 1250 C HIS A 86 6.304 2.928 -7.231 1.00 0.00 C ATOM 1251 O HIS A 86 6.516 1.741 -6.987 1.00 0.00 O ATOM 1252 CB HIS A 86 8.435 3.542 -8.379 1.00 0.00 C ATOM 1253 CG HIS A 86 8.071 4.048 -9.744 1.00 0.00 C ATOM 1254 ND1 HIS A 86 9.027 4.721 -10.476 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.912 3.951 -10.449 1.00 0.00 C ATOM 1256 CE1 HIS A 86 8.431 5.048 -11.608 1.00 0.00 C ATOM 1257 NE2 HIS A 86 7.149 4.597 -11.646 1.00 0.00 N ATOM 0 H HIS A 86 8.356 3.037 -5.646 1.00 0.00 H new ATOM 0 HA HIS A 86 7.015 4.889 -7.506 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.412 3.940 -8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.533 2.457 -8.421 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.997 3.469 -10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 86 8.903 5.604 -12.404 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.487 4.714 -12.414 1.00 0.00 H new ATOM 1265 N LEU A 87 5.051 3.371 -7.430 1.00 0.00 N ATOM 1266 CA LEU A 87 3.917 2.512 -7.279 1.00 0.00 C ATOM 1267 C LEU A 87 2.783 2.843 -8.185 1.00 0.00 C ATOM 1268 O LEU A 87 2.663 3.946 -8.717 1.00 0.00 O ATOM 1269 CB LEU A 87 3.416 2.404 -5.829 1.00 0.00 C ATOM 1270 CG LEU A 87 2.581 3.567 -5.265 1.00 0.00 C ATOM 1271 CD1 LEU A 87 1.928 3.140 -3.940 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.388 4.855 -5.033 1.00 0.00 C ATOM 0 H LEU A 87 4.821 4.328 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 87 4.300 1.535 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.820 1.495 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.285 2.273 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 87 1.829 3.796 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.337 3.966 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.280 2.281 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.703 2.870 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.732 5.629 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.190 4.659 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.815 5.192 -5.978 1.00 0.00 H new ATOM 1284 N LEU A 88 1.881 1.865 -8.385 1.00 0.00 N ATOM 1285 CA LEU A 88 0.744 1.959 -9.246 1.00 0.00 C ATOM 1286 C LEU A 88 -0.469 1.734 -8.410 1.00 0.00 C ATOM 1287 O LEU A 88 -0.556 0.758 -7.666 1.00 0.00 O ATOM 1288 CB LEU A 88 0.755 0.886 -10.349 1.00 0.00 C ATOM 1289 CG LEU A 88 1.673 1.129 -11.559 1.00 0.00 C ATOM 1290 CD1 LEU A 88 3.179 1.133 -11.246 1.00 0.00 C ATOM 1291 CD2 LEU A 88 1.390 0.070 -12.638 1.00 0.00 C ATOM 0 H LEU A 88 1.950 0.960 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 88 0.756 2.938 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.040 -0.063 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.264 0.770 -10.717 1.00 0.00 H new ATOM 0 HG LEU A 88 1.436 2.136 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.741 1.312 -12.163 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.399 1.921 -10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.466 0.169 -10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.040 0.242 -13.496 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.580 -0.923 -12.232 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.349 0.140 -12.952 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.446 2.654 -8.491 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.625 2.673 -7.682 1.00 0.00 C ATOM 1305 C LEU A 89 -3.846 2.646 -8.535 1.00 0.00 C ATOM 1306 O LEU A 89 -3.830 3.066 -9.691 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.773 3.957 -6.849 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.537 4.466 -6.088 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.614 5.358 -6.937 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -2.014 5.301 -4.888 1.00 0.00 C ATOM 0 H LEU A 89 -1.411 3.426 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.526 1.801 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.106 4.752 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.570 3.795 -6.123 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.966 3.586 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.236 5.679 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.256 4.795 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.167 6.232 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.150 5.671 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.605 6.145 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.625 4.680 -4.233 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.990 2.241 -7.955 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.285 2.647 -8.409 1.00 0.00 C ATOM 1324 C GLU A 90 -6.864 3.582 -7.404 1.00 0.00 C ATOM 1325 O GLU A 90 -6.909 3.300 -6.207 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.225 1.463 -8.690 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.462 1.903 -9.473 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.323 0.726 -9.910 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -10.071 0.185 -9.053 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.291 0.344 -11.110 1.00 0.00 O ATOM 0 H GLU A 90 -5.016 1.615 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.172 3.152 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.690 0.698 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.532 1.009 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.058 2.576 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.150 2.467 -10.352 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.308 4.767 -7.857 1.00 0.00 N ATOM 1338 CA LYS A 91 -7.727 5.856 -7.032 1.00 0.00 C ATOM 1339 C LYS A 91 -9.002 5.605 -6.304 1.00 0.00 C ATOM 1340 O LYS A 91 -9.959 5.047 -6.839 1.00 0.00 O ATOM 1341 CB LYS A 91 -7.838 7.108 -7.918 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.275 8.406 -7.233 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.913 9.636 -8.069 1.00 0.00 C ATOM 1344 CE LYS A 91 -8.112 10.960 -7.328 1.00 0.00 C ATOM 1345 NZ LYS A 91 -7.501 12.070 -8.092 1.00 0.00 N ATOM 0 H LYS A 91 -7.378 4.976 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.980 5.993 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.868 7.281 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.544 6.894 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.352 8.384 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.801 8.479 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.872 9.558 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.520 9.641 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.176 11.149 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.663 10.901 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.642 12.964 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.482 11.894 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.948 12.134 -9.029 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.064 5.982 -5.014 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.269 5.986 -4.246 1.00 0.00 C ATOM 1361 C GLY A 92 -11.040 7.240 -4.482 1.00 0.00 C ATOM 1362 O GLY A 92 -10.479 8.303 -4.743 1.00 0.00 O ATOM 0 H GLY A 92 -8.247 6.294 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.879 5.123 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.031 5.893 -3.186 1.00 0.00 H new ATOM 1560 N GLN B 11 -3.748 -8.528 10.716 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.339 -7.395 11.488 1.00 0.00 C ATOM 1562 C GLN B 11 -3.041 -6.217 10.627 1.00 0.00 C ATOM 1563 O GLN B 11 -3.521 -6.136 9.498 1.00 0.00 O ATOM 1564 CB GLN B 11 -2.153 -7.730 12.408 1.00 0.00 C ATOM 1565 CG GLN B 11 -2.463 -8.870 13.380 1.00 0.00 C ATOM 1566 CD GLN B 11 -1.411 -8.980 14.474 1.00 0.00 C ATOM 1567 OE1 GLN B 11 -1.320 -8.127 15.356 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -0.589 -10.062 14.435 1.00 0.00 N ATOM 0 HA GLN B 11 -4.181 -7.126 12.126 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.291 -8.002 11.798 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.875 -6.841 12.974 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -3.442 -8.707 13.832 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -2.518 -9.811 12.832 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.689 -10.752 13.691 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.128 -10.184 15.150 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.307 -5.213 11.138 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.041 -3.959 10.503 1.00 0.00 C ATOM 1579 C VAL B 12 -0.575 -3.701 10.444 1.00 0.00 C ATOM 1580 O VAL B 12 0.193 -4.222 11.252 1.00 0.00 O ATOM 1581 CB VAL B 12 -2.708 -2.798 11.177 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -4.230 -2.905 10.980 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -2.366 -2.726 12.675 1.00 0.00 C ATOM 0 H VAL B 12 -1.870 -5.282 12.057 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.456 -4.043 9.499 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.337 -1.880 10.721 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.720 -2.063 11.468 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.461 -2.891 9.915 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.589 -3.837 11.417 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.871 -1.870 13.123 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.696 -3.640 13.168 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.288 -2.617 12.797 1.00 0.00 H new ATOM 1593 N SER B 13 -0.132 -2.867 9.485 1.00 0.00 N ATOM 1594 CA SER B 13 1.243 -2.498 9.344 1.00 0.00 C ATOM 1595 C SER B 13 1.377 -1.067 8.950 1.00 0.00 C ATOM 1596 O SER B 13 0.599 -0.539 8.156 1.00 0.00 O ATOM 1597 CB SER B 13 1.997 -3.320 8.285 1.00 0.00 C ATOM 1598 OG SER B 13 1.982 -4.706 8.591 1.00 0.00 O ATOM 0 H SER B 13 -0.745 -2.439 8.791 1.00 0.00 H new ATOM 0 HA SER B 13 1.680 -2.691 10.324 1.00 0.00 H new ATOM 0 HB2 SER B 13 1.544 -3.158 7.307 1.00 0.00 H new ATOM 0 HB3 SER B 13 3.028 -2.972 8.220 1.00 0.00 H new ATOM 0 HG SER B 13 1.190 -5.121 8.189 1.00 0.00 H new ATOM 1604 N ALA B 14 2.411 -0.382 9.472 1.00 0.00 N ATOM 1605 CA ALA B 14 2.678 1.004 9.248 1.00 0.00 C ATOM 1606 C ALA B 14 4.041 1.243 8.694 1.00 0.00 C ATOM 1607 O ALA B 14 4.990 0.505 8.952 1.00 0.00 O ATOM 1608 CB ALA B 14 2.521 1.762 10.577 1.00 0.00 C ATOM 0 H ALA B 14 3.098 -0.821 10.084 1.00 0.00 H new ATOM 0 HA ALA B 14 1.964 1.365 8.507 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.723 2.821 10.418 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.504 1.638 10.949 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.225 1.365 11.308 1.00 0.00 H new ATOM 1614 N VAL B 15 4.186 2.274 7.842 1.00 0.00 N ATOM 1615 CA VAL B 15 5.424 2.799 7.355 1.00 0.00 C ATOM 1616 C VAL B 15 5.157 4.248 6.975 1.00 0.00 C ATOM 1617 O VAL B 15 3.971 4.587 6.715 1.00 0.00 O ATOM 1618 CB VAL B 15 5.999 1.983 6.235 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.977 1.822 5.096 1.00 0.00 C ATOM 1620 CG2 VAL B 15 7.300 2.590 5.683 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.085 5.101 6.978 1.00 0.00 O ATOM 0 H VAL B 15 3.380 2.775 7.468 1.00 0.00 H new ATOM 0 HA VAL B 15 6.195 2.751 8.124 1.00 0.00 H new ATOM 0 HB VAL B 15 6.236 1.003 6.649 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.416 1.227 4.295 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.086 1.321 5.475 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.704 2.804 4.711 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.679 1.965 4.874 1.00 0.00 H new ATOM 0 HG22 VAL B 15 7.102 3.593 5.304 1.00 0.00 H new ATOM 0 HG23 VAL B 15 8.043 2.643 6.479 1.00 0.00 H new