USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 MET CE :methyl 168:sc= 0 (180deg=-0.14) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0.0357 (180deg=0.0146) USER MOD Single : A 28 ASN : amide:sc= -0.0894 X(o=-0.089,f=-0.089) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0118 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.298 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00494) USER MOD Single : A 51 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.6!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0355) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.045) USER MOD Single : A 67 SER OG : rot -70:sc= 1.13 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 76 LYS NZ :NH3+ -175:sc=-0.00283 (180deg=-0.0215) USER MOD Single : A 77 SER OG : rot 180:sc= -0.142 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 73:sc= 0.759 USER MOD Single : A 84 MET CE :methyl -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 87 TYR OH : rot 159:sc= -0.275 USER MOD Single : A 90 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -2.340 9.499 11.185 1.00 0.00 N ATOM 2 CA MET A 15 -1.142 9.046 10.491 1.00 0.00 C ATOM 3 C MET A 15 -1.382 7.723 9.807 1.00 0.00 C ATOM 4 O MET A 15 -1.021 7.578 8.650 1.00 0.00 O ATOM 5 CB MET A 15 0.076 8.924 11.443 1.00 0.00 C ATOM 6 CG MET A 15 0.300 10.243 12.221 1.00 0.00 C ATOM 7 SD MET A 15 1.750 10.108 13.319 1.00 0.00 S ATOM 8 CE MET A 15 3.125 10.113 12.126 1.00 0.00 C ATOM 0 HA MET A 15 -0.912 9.804 9.742 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.086 8.106 12.145 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.969 8.679 10.868 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.445 11.064 11.519 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.587 10.479 12.809 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.067 10.250 12.657 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.145 9.164 11.590 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.987 10.928 11.415 1.00 0.00 H new ATOM 18 N ALA A 16 -1.995 6.737 10.500 1.00 0.00 N ATOM 19 CA ALA A 16 -2.285 5.469 9.843 1.00 0.00 C ATOM 20 C ALA A 16 -3.086 5.675 8.565 1.00 0.00 C ATOM 21 O ALA A 16 -2.741 5.007 7.603 1.00 0.00 O ATOM 22 CB ALA A 16 -2.919 4.445 10.823 1.00 0.00 C ATOM 0 H ALA A 16 -2.284 6.800 11.476 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.340 5.024 9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.120 3.513 10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.230 4.255 11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.852 4.848 11.217 1.00 0.00 H new ATOM 28 N PRO A 17 -4.121 6.551 8.429 1.00 0.00 N ATOM 29 CA PRO A 17 -4.709 6.775 7.115 1.00 0.00 C ATOM 30 C PRO A 17 -3.807 7.587 6.216 1.00 0.00 C ATOM 31 O PRO A 17 -3.860 7.383 5.013 1.00 0.00 O ATOM 32 CB PRO A 17 -6.017 7.525 7.461 1.00 0.00 C ATOM 33 CG PRO A 17 -5.760 8.172 8.840 1.00 0.00 C ATOM 34 CD PRO A 17 -4.707 7.280 9.545 1.00 0.00 C ATOM 0 HA PRO A 17 -4.873 5.855 6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.249 8.279 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.865 6.841 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.394 9.193 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.679 8.224 9.423 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.964 7.873 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.164 6.610 10.273 1.00 0.00 H new ATOM 42 N ALA A 18 -2.962 8.503 6.741 1.00 0.00 N ATOM 43 CA ALA A 18 -2.013 9.177 5.856 1.00 0.00 C ATOM 44 C ALA A 18 -1.123 8.140 5.208 1.00 0.00 C ATOM 45 O ALA A 18 -0.717 8.339 4.074 1.00 0.00 O ATOM 46 CB ALA A 18 -1.094 10.183 6.595 1.00 0.00 C ATOM 0 H ALA A 18 -2.923 8.776 7.723 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.606 9.731 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.414 10.648 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.704 10.952 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.517 9.657 7.356 1.00 0.00 H new ATOM 52 N LEU A 19 -0.801 7.033 5.916 1.00 0.00 N ATOM 53 CA LEU A 19 0.075 6.025 5.333 1.00 0.00 C ATOM 54 C LEU A 19 -0.552 5.505 4.059 1.00 0.00 C ATOM 55 O LEU A 19 0.021 5.791 3.020 1.00 0.00 O ATOM 56 CB LEU A 19 0.467 4.950 6.385 1.00 0.00 C ATOM 57 CG LEU A 19 1.326 3.774 5.846 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.457 2.665 5.188 1.00 0.00 C ATOM 59 CD2 LEU A 19 2.529 4.269 4.998 1.00 0.00 C ATOM 0 H LEU A 19 -1.129 6.830 6.860 1.00 0.00 H new ATOM 0 HA LEU A 19 1.032 6.456 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.014 5.438 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.445 4.542 6.820 1.00 0.00 H new ATOM 0 HG LEU A 19 1.788 3.277 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.102 1.864 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.241 2.265 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.100 3.088 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.101 3.412 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.162 4.840 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.169 4.903 5.611 1.00 0.00 H new ATOM 71 N VAL A 20 -1.704 4.787 4.063 1.00 0.00 N ATOM 72 CA VAL A 20 -2.270 4.330 2.786 1.00 0.00 C ATOM 73 C VAL A 20 -2.267 5.461 1.781 1.00 0.00 C ATOM 74 O VAL A 20 -2.031 5.209 0.608 1.00 0.00 O ATOM 75 CB VAL A 20 -3.702 3.710 2.882 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.759 4.739 3.371 1.00 0.00 C ATOM 77 CG2 VAL A 20 -4.175 3.102 1.530 1.00 0.00 C ATOM 0 H VAL A 20 -2.231 4.526 4.896 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.621 3.518 2.459 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.620 2.911 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.737 4.260 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.482 5.103 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.800 5.577 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.175 2.684 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.196 3.881 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.486 2.314 1.225 1.00 0.00 H new ATOM 87 N ALA A 21 -2.521 6.716 2.226 1.00 0.00 N ATOM 88 CA ALA A 21 -2.557 7.816 1.270 1.00 0.00 C ATOM 89 C ALA A 21 -1.202 8.033 0.621 1.00 0.00 C ATOM 90 O ALA A 21 -1.151 8.357 -0.556 1.00 0.00 O ATOM 91 CB ALA A 21 -3.063 9.150 1.881 1.00 0.00 C ATOM 0 H ALA A 21 -2.695 6.971 3.198 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.279 7.513 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.064 9.924 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.076 9.015 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.406 9.449 2.697 1.00 0.00 H new ATOM 97 N ALA A 22 -0.093 7.866 1.381 1.00 0.00 N ATOM 98 CA ALA A 22 1.253 8.121 0.851 1.00 0.00 C ATOM 99 C ALA A 22 1.622 7.340 -0.396 1.00 0.00 C ATOM 100 O ALA A 22 2.519 7.796 -1.087 1.00 0.00 O ATOM 101 CB ALA A 22 2.315 7.788 1.929 1.00 0.00 C ATOM 0 H ALA A 22 -0.111 7.558 2.353 1.00 0.00 H new ATOM 0 HA ALA A 22 1.239 9.176 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.311 7.979 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.150 8.412 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.232 6.738 2.209 1.00 0.00 H new ATOM 107 N PHE A 23 0.986 6.184 -0.708 1.00 0.00 N ATOM 108 CA PHE A 23 1.263 5.471 -1.971 1.00 0.00 C ATOM 109 C PHE A 23 -0.041 5.065 -2.648 1.00 0.00 C ATOM 110 O PHE A 23 -0.160 5.291 -3.844 1.00 0.00 O ATOM 111 CB PHE A 23 2.298 4.332 -1.754 1.00 0.00 C ATOM 112 CG PHE A 23 3.294 3.902 -2.852 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.690 4.702 -3.932 1.00 0.00 C ATOM 114 CD2 PHE A 23 3.872 2.631 -2.734 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.715 4.262 -4.789 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.753 2.132 -3.678 1.00 0.00 C ATOM 117 CZ PHE A 23 5.150 2.942 -4.754 1.00 0.00 C ATOM 0 H PHE A 23 0.291 5.735 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 23 1.750 6.138 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.893 4.611 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.731 3.442 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.210 5.654 -4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.622 2.021 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.168 4.956 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.133 1.125 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.780 2.548 -5.538 1.00 0.00 H new ATOM 127 N GLY A 24 -1.044 4.487 -1.937 1.00 0.00 N ATOM 128 CA GLY A 24 -2.351 4.255 -2.555 1.00 0.00 C ATOM 129 C GLY A 24 -3.158 5.520 -2.780 1.00 0.00 C ATOM 130 O GLY A 24 -4.030 5.487 -3.636 1.00 0.00 O ATOM 0 H GLY A 24 -0.966 4.185 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.206 3.754 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.925 3.577 -1.924 1.00 0.00 H new ATOM 134 N GLY A 25 -2.905 6.630 -2.044 1.00 0.00 N ATOM 135 CA GLY A 25 -3.608 7.891 -2.317 1.00 0.00 C ATOM 136 C GLY A 25 -2.828 8.792 -3.244 1.00 0.00 C ATOM 137 O GLY A 25 -3.212 9.941 -3.415 1.00 0.00 O ATOM 0 H GLY A 25 -2.235 6.671 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.581 7.674 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.793 8.412 -1.378 1.00 0.00 H new ATOM 141 N LYS A 26 -1.734 8.291 -3.857 1.00 0.00 N ATOM 142 CA LYS A 26 -1.017 9.088 -4.842 1.00 0.00 C ATOM 143 C LYS A 26 -1.798 8.901 -6.125 1.00 0.00 C ATOM 144 O LYS A 26 -1.409 8.103 -6.962 1.00 0.00 O ATOM 145 CB LYS A 26 0.425 8.550 -4.971 1.00 0.00 C ATOM 146 CG LYS A 26 1.289 8.750 -3.705 1.00 0.00 C ATOM 147 CD LYS A 26 1.721 10.230 -3.508 1.00 0.00 C ATOM 148 CE LYS A 26 3.106 10.347 -2.804 1.00 0.00 C ATOM 149 NZ LYS A 26 3.780 11.618 -3.159 1.00 0.00 N ATOM 0 H LYS A 26 -1.346 7.363 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.940 10.143 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.385 7.486 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.912 9.044 -5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.729 8.419 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.177 8.121 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.764 10.727 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.969 10.751 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.974 10.291 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.736 9.505 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.642 11.725 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.032 11.607 -4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.139 12.415 -2.971 1.00 0.00 H new ATOM 163 N GLU A 27 -2.935 9.616 -6.294 1.00 0.00 N ATOM 164 CA GLU A 27 -3.753 9.401 -7.493 1.00 0.00 C ATOM 165 C GLU A 27 -2.920 9.636 -8.741 1.00 0.00 C ATOM 166 O GLU A 27 -3.137 8.952 -9.730 1.00 0.00 O ATOM 167 CB GLU A 27 -5.086 10.221 -7.492 1.00 0.00 C ATOM 168 CG GLU A 27 -5.127 11.337 -8.569 1.00 0.00 C ATOM 169 CD GLU A 27 -6.385 12.156 -8.411 1.00 0.00 C ATOM 170 OE1 GLU A 27 -7.472 11.670 -8.827 1.00 0.00 O ATOM 171 OE2 GLU A 27 -6.297 13.289 -7.861 1.00 0.00 O ATOM 0 H GLU A 27 -3.289 10.316 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.074 8.359 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.922 9.540 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.226 10.670 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.251 11.978 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.093 10.895 -9.565 1.00 0.00 H new ATOM 178 N ASN A 28 -1.962 10.596 -8.700 1.00 0.00 N ATOM 179 CA ASN A 28 -1.096 10.871 -9.856 1.00 0.00 C ATOM 180 C ASN A 28 -0.542 9.620 -10.517 1.00 0.00 C ATOM 181 O ASN A 28 -0.277 9.655 -11.708 1.00 0.00 O ATOM 182 CB ASN A 28 0.109 11.743 -9.409 1.00 0.00 C ATOM 183 CG ASN A 28 1.048 12.003 -10.565 1.00 0.00 C ATOM 184 OD1 ASN A 28 0.644 12.687 -11.493 1.00 0.00 O ATOM 185 ND2 ASN A 28 2.293 11.474 -10.548 1.00 0.00 N ATOM 0 H ASN A 28 -1.777 11.182 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.725 11.383 -10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.252 12.690 -9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.647 11.241 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.929 11.642 -11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.596 10.908 -9.756 1.00 0.00 H new ATOM 192 N ILE A 29 -0.373 8.537 -9.728 1.00 0.00 N ATOM 193 CA ILE A 29 0.030 7.208 -10.215 1.00 0.00 C ATOM 194 C ILE A 29 0.014 6.865 -11.700 1.00 0.00 C ATOM 195 O ILE A 29 -0.801 7.381 -12.449 1.00 0.00 O ATOM 196 CB ILE A 29 -0.831 6.178 -9.409 1.00 0.00 C ATOM 197 CG1 ILE A 29 -0.166 5.643 -8.095 1.00 0.00 C ATOM 198 CG2 ILE A 29 -1.418 5.039 -10.299 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.097 6.362 -7.529 1.00 0.00 C ATOM 0 H ILE A 29 -0.516 8.566 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 29 1.107 7.182 -10.049 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.680 6.765 -9.059 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.927 5.656 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.100 4.600 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.004 4.359 -9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.057 5.471 -11.069 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.603 4.489 -10.771 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.424 5.860 -6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.897 6.328 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.854 7.401 -7.304 1.00 0.00 H new ATOM 211 N THR A 30 0.907 5.919 -12.110 1.00 0.00 N ATOM 212 CA THR A 30 1.010 5.475 -13.502 1.00 0.00 C ATOM 213 C THR A 30 0.370 4.102 -13.700 1.00 0.00 C ATOM 214 O THR A 30 -0.570 4.009 -14.474 1.00 0.00 O ATOM 215 CB THR A 30 2.510 5.441 -13.919 1.00 0.00 C ATOM 216 OG1 THR A 30 3.146 4.346 -13.240 1.00 0.00 O ATOM 217 CG2 THR A 30 3.243 6.768 -13.575 1.00 0.00 C ATOM 0 H THR A 30 1.562 5.456 -11.480 1.00 0.00 H new ATOM 0 HA THR A 30 0.469 6.180 -14.133 1.00 0.00 H new ATOM 0 HB THR A 30 2.565 5.314 -15.000 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.092 4.309 -13.493 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.286 6.698 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.764 7.595 -14.099 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.194 6.943 -12.500 1.00 0.00 H new ATOM 225 N ASN A 31 0.865 3.024 -13.032 1.00 0.00 N ATOM 226 CA ASN A 31 0.359 1.660 -13.243 1.00 0.00 C ATOM 227 C ASN A 31 0.328 0.845 -11.958 1.00 0.00 C ATOM 228 O ASN A 31 1.387 0.399 -11.547 1.00 0.00 O ATOM 229 CB ASN A 31 1.296 0.918 -14.239 1.00 0.00 C ATOM 230 CG ASN A 31 0.930 1.197 -15.679 1.00 0.00 C ATOM 231 OD1 ASN A 31 -0.093 0.698 -16.119 1.00 0.00 O ATOM 232 ND2 ASN A 31 1.729 1.976 -16.442 1.00 0.00 N ATOM 0 H ASN A 31 1.615 3.085 -12.344 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.658 1.753 -13.625 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.327 1.223 -14.062 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.245 -0.155 -14.054 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.483 2.161 -17.414 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.578 2.379 -16.045 1.00 0.00 H new ATOM 239 N LEU A 32 -0.855 0.614 -11.331 1.00 0.00 N ATOM 240 CA LEU A 32 -0.966 -0.284 -10.169 1.00 0.00 C ATOM 241 C LEU A 32 -1.691 -1.548 -10.588 1.00 0.00 C ATOM 242 O LEU A 32 -2.320 -1.553 -11.633 1.00 0.00 O ATOM 243 CB LEU A 32 -1.722 0.424 -9.003 1.00 0.00 C ATOM 244 CG LEU A 32 -0.822 1.310 -8.091 1.00 0.00 C ATOM 245 CD1 LEU A 32 0.299 2.033 -8.889 1.00 0.00 C ATOM 246 CD2 LEU A 32 -1.649 2.290 -7.212 1.00 0.00 C ATOM 0 H LEU A 32 -1.738 1.039 -11.615 1.00 0.00 H new ATOM 0 HA LEU A 32 0.031 -0.542 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.513 1.045 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.206 -0.334 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.320 0.630 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.898 2.637 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.936 1.293 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.150 2.676 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.974 2.884 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.231 2.951 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.322 1.723 -6.570 1.00 0.00 H new ATOM 258 N ASP A 33 -1.595 -2.623 -9.767 1.00 0.00 N ATOM 259 CA ASP A 33 -2.254 -3.901 -10.049 1.00 0.00 C ATOM 260 C ASP A 33 -2.932 -4.327 -8.759 1.00 0.00 C ATOM 261 O ASP A 33 -2.519 -5.285 -8.125 1.00 0.00 O ATOM 262 CB ASP A 33 -1.220 -4.924 -10.598 1.00 0.00 C ATOM 263 CG ASP A 33 -1.190 -5.041 -12.102 1.00 0.00 C ATOM 264 OD1 ASP A 33 -2.029 -5.804 -12.653 1.00 0.00 O ATOM 265 OD2 ASP A 33 -0.323 -4.388 -12.747 1.00 0.00 O ATOM 0 H ASP A 33 -1.060 -2.618 -8.899 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.011 -3.826 -10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.227 -4.640 -10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.439 -5.904 -10.175 1.00 0.00 H new ATOM 270 N ALA A 34 -3.995 -3.596 -8.349 1.00 0.00 N ATOM 271 CA ALA A 34 -4.690 -3.930 -7.106 1.00 0.00 C ATOM 272 C ALA A 34 -5.335 -5.295 -7.199 1.00 0.00 C ATOM 273 O ALA A 34 -5.788 -5.620 -8.286 1.00 0.00 O ATOM 274 CB ALA A 34 -5.738 -2.862 -6.708 1.00 0.00 C ATOM 0 H ALA A 34 -4.374 -2.794 -8.852 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.935 -3.949 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.225 -3.158 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.243 -1.901 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.485 -2.774 -7.497 1.00 0.00 H new ATOM 280 N CYS A 35 -5.392 -6.104 -6.107 1.00 0.00 N ATOM 281 CA CYS A 35 -6.047 -7.416 -6.201 1.00 0.00 C ATOM 282 C CYS A 35 -6.376 -7.998 -4.830 1.00 0.00 C ATOM 283 O CYS A 35 -5.906 -7.455 -3.843 1.00 0.00 O ATOM 284 CB CYS A 35 -5.164 -8.407 -7.010 1.00 0.00 C ATOM 285 SG CYS A 35 -6.154 -9.598 -7.982 1.00 0.00 S ATOM 0 H CYS A 35 -5.006 -5.875 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.991 -7.267 -6.724 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.516 -7.845 -7.682 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.516 -8.953 -6.325 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.359 -10.393 -8.634 1.00 0.00 H new ATOM 291 N ILE A 36 -7.179 -9.093 -4.765 1.00 0.00 N ATOM 292 CA ILE A 36 -7.659 -9.660 -3.498 1.00 0.00 C ATOM 293 C ILE A 36 -6.779 -9.396 -2.287 1.00 0.00 C ATOM 294 O ILE A 36 -7.181 -8.635 -1.419 1.00 0.00 O ATOM 295 CB ILE A 36 -8.129 -11.159 -3.590 1.00 0.00 C ATOM 296 CG1 ILE A 36 -7.048 -12.247 -3.911 1.00 0.00 C ATOM 297 CG2 ILE A 36 -9.346 -11.328 -4.551 1.00 0.00 C ATOM 298 CD1 ILE A 36 -6.152 -11.964 -5.151 1.00 0.00 C ATOM 0 H ILE A 36 -7.504 -9.597 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.561 -9.076 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.411 -11.362 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.404 -12.361 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.553 -13.201 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.639 -12.377 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.182 -10.730 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.069 -10.995 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.441 -12.780 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.777 -11.883 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.610 -11.030 -5.003 1.00 0.00 H new ATOM 310 N THR A 37 -5.572 -9.997 -2.202 1.00 0.00 N ATOM 311 CA THR A 37 -4.659 -9.746 -1.096 1.00 0.00 C ATOM 312 C THR A 37 -3.313 -9.455 -1.724 1.00 0.00 C ATOM 313 O THR A 37 -2.300 -9.842 -1.162 1.00 0.00 O ATOM 314 CB THR A 37 -4.636 -11.006 -0.185 1.00 0.00 C ATOM 315 OG1 THR A 37 -4.237 -12.170 -0.928 1.00 0.00 O ATOM 316 CG2 THR A 37 -6.029 -11.273 0.433 1.00 0.00 C ATOM 0 H THR A 37 -5.219 -10.658 -2.894 1.00 0.00 H new ATOM 0 HA THR A 37 -4.954 -8.904 -0.469 1.00 0.00 H new ATOM 0 HB THR A 37 -3.916 -10.812 0.610 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.228 -12.950 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.983 -12.160 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.331 -10.415 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.756 -11.433 -0.363 1.00 0.00 H new ATOM 324 N ARG A 38 -3.318 -8.774 -2.901 1.00 0.00 N ATOM 325 CA ARG A 38 -2.101 -8.561 -3.669 1.00 0.00 C ATOM 326 C ARG A 38 -2.232 -7.268 -4.438 1.00 0.00 C ATOM 327 O ARG A 38 -2.926 -7.272 -5.440 1.00 0.00 O ATOM 328 CB ARG A 38 -1.857 -9.805 -4.566 1.00 0.00 C ATOM 329 CG ARG A 38 -0.726 -9.592 -5.625 1.00 0.00 C ATOM 330 CD ARG A 38 -1.263 -9.412 -7.085 1.00 0.00 C ATOM 331 NE ARG A 38 -0.558 -10.250 -8.063 1.00 0.00 N ATOM 332 CZ ARG A 38 -0.545 -11.566 -8.042 1.00 0.00 C ATOM 333 NH1 ARG A 38 -1.212 -12.266 -7.154 1.00 0.00 N ATOM 334 NH2 ARG A 38 0.163 -12.202 -8.949 1.00 0.00 N ATOM 0 H ARG A 38 -4.156 -8.372 -3.321 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.224 -8.457 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.598 -10.655 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.783 -10.061 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.143 -8.713 -5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.049 -10.446 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.326 -9.653 -7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.167 -8.366 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.044 -9.781 -8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.769 -11.791 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.174 -13.285 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.687 -11.676 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.189 -13.222 -8.953 1.00 0.00 H new ATOM 348 N LEU A 39 -1.585 -6.164 -3.983 1.00 0.00 N ATOM 349 CA LEU A 39 -1.698 -4.869 -4.663 1.00 0.00 C ATOM 350 C LEU A 39 -0.313 -4.464 -5.083 1.00 0.00 C ATOM 351 O LEU A 39 0.572 -4.786 -4.319 1.00 0.00 O ATOM 352 CB LEU A 39 -2.476 -3.789 -3.842 1.00 0.00 C ATOM 353 CG LEU A 39 -1.848 -3.353 -2.475 1.00 0.00 C ATOM 354 CD1 LEU A 39 -0.870 -2.160 -2.660 1.00 0.00 C ATOM 355 CD2 LEU A 39 -2.936 -2.932 -1.437 1.00 0.00 C ATOM 0 H LEU A 39 -0.988 -6.155 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.325 -4.966 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.584 -2.901 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.480 -4.167 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.311 -4.224 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.450 -1.880 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.065 -2.451 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.408 -1.311 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.455 -2.638 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.509 -2.092 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.605 -3.772 -1.250 1.00 0.00 H new ATOM 367 N ARG A 40 -0.079 -3.839 -6.257 1.00 0.00 N ATOM 368 CA ARG A 40 1.292 -3.564 -6.704 1.00 0.00 C ATOM 369 C ARG A 40 1.444 -2.086 -6.945 1.00 0.00 C ATOM 370 O ARG A 40 0.399 -1.462 -6.974 1.00 0.00 O ATOM 371 CB ARG A 40 1.645 -4.301 -8.024 1.00 0.00 C ATOM 372 CG ARG A 40 1.135 -5.769 -8.202 1.00 0.00 C ATOM 373 CD ARG A 40 1.882 -6.882 -7.414 1.00 0.00 C ATOM 374 NE ARG A 40 2.098 -8.126 -8.163 1.00 0.00 N ATOM 375 CZ ARG A 40 2.950 -9.068 -7.805 1.00 0.00 C ATOM 376 NH1 ARG A 40 3.654 -9.009 -6.699 1.00 0.00 N ATOM 377 NH2 ARG A 40 3.104 -10.108 -8.594 1.00 0.00 N ATOM 0 H ARG A 40 -0.808 -3.523 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 40 1.963 -3.919 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.255 -3.709 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.731 -4.310 -8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.084 -5.799 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.182 -6.017 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.849 -6.494 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.316 -7.111 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 40 1.555 -8.271 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.555 -8.210 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.300 -9.763 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.571 -10.174 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.757 -10.849 -8.339 1.00 0.00 H new ATOM 391 N VAL A 41 2.669 -1.512 -7.124 1.00 0.00 N ATOM 392 CA VAL A 41 2.787 -0.054 -7.238 1.00 0.00 C ATOM 393 C VAL A 41 3.826 0.438 -8.238 1.00 0.00 C ATOM 394 O VAL A 41 4.711 1.193 -7.865 1.00 0.00 O ATOM 395 CB VAL A 41 2.904 0.584 -5.823 1.00 0.00 C ATOM 396 CG1 VAL A 41 2.329 2.030 -5.839 1.00 0.00 C ATOM 397 CG2 VAL A 41 2.196 -0.214 -4.692 1.00 0.00 C ATOM 0 H VAL A 41 3.548 -2.025 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 41 1.862 0.303 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 41 3.970 0.577 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.416 2.467 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.888 2.636 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.280 2.001 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.330 0.304 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.132 -0.295 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.629 -1.212 -4.625 1.00 0.00 H new ATOM 407 N SER A 42 3.730 0.052 -9.533 1.00 0.00 N ATOM 408 CA SER A 42 4.778 0.407 -10.507 1.00 0.00 C ATOM 409 C SER A 42 4.822 1.863 -10.911 1.00 0.00 C ATOM 410 O SER A 42 4.189 2.200 -11.899 1.00 0.00 O ATOM 411 CB SER A 42 4.666 -0.455 -11.797 1.00 0.00 C ATOM 412 OG SER A 42 5.597 0.007 -12.796 1.00 0.00 O ATOM 0 H SER A 42 2.956 -0.491 -9.916 1.00 0.00 H new ATOM 0 HA SER A 42 5.705 0.200 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.866 -1.500 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.650 -0.405 -12.188 1.00 0.00 H new ATOM 0 HG SER A 42 5.515 -0.547 -13.601 1.00 0.00 H new ATOM 418 N VAL A 43 5.571 2.733 -10.183 1.00 0.00 N ATOM 419 CA VAL A 43 5.542 4.169 -10.466 1.00 0.00 C ATOM 420 C VAL A 43 6.888 4.837 -10.275 1.00 0.00 C ATOM 421 O VAL A 43 7.654 4.346 -9.461 1.00 0.00 O ATOM 422 CB VAL A 43 4.448 4.811 -9.567 1.00 0.00 C ATOM 423 CG1 VAL A 43 3.153 3.957 -9.616 1.00 0.00 C ATOM 424 CG2 VAL A 43 4.901 4.912 -8.092 1.00 0.00 C ATOM 0 H VAL A 43 6.185 2.461 -9.415 1.00 0.00 H new ATOM 0 HA VAL A 43 5.302 4.318 -11.519 1.00 0.00 H new ATOM 0 HB VAL A 43 4.267 5.815 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.392 4.414 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.789 3.906 -10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.367 2.950 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.108 5.366 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.116 3.915 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.799 5.527 -8.028 1.00 0.00 H new ATOM 434 N ALA A 44 7.182 5.955 -10.988 1.00 0.00 N ATOM 435 CA ALA A 44 8.420 6.693 -10.742 1.00 0.00 C ATOM 436 C ALA A 44 8.252 7.633 -9.570 1.00 0.00 C ATOM 437 O ALA A 44 9.255 8.208 -9.178 1.00 0.00 O ATOM 438 CB ALA A 44 8.848 7.513 -11.986 1.00 0.00 C ATOM 0 H ALA A 44 6.587 6.347 -11.718 1.00 0.00 H new ATOM 0 HA ALA A 44 9.195 5.959 -10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.772 8.049 -11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.009 6.840 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.064 8.228 -12.238 1.00 0.00 H new ATOM 444 N ASP A 45 7.041 7.816 -8.988 1.00 0.00 N ATOM 445 CA ASP A 45 6.907 8.628 -7.773 1.00 0.00 C ATOM 446 C ASP A 45 7.569 7.886 -6.626 1.00 0.00 C ATOM 447 O ASP A 45 6.866 7.451 -5.727 1.00 0.00 O ATOM 448 CB ASP A 45 5.399 8.927 -7.523 1.00 0.00 C ATOM 449 CG ASP A 45 5.157 10.025 -6.508 1.00 0.00 C ATOM 450 OD1 ASP A 45 5.844 11.078 -6.580 1.00 0.00 O ATOM 451 OD2 ASP A 45 4.267 9.854 -5.634 1.00 0.00 O ATOM 0 H ASP A 45 6.168 7.419 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 45 7.407 9.592 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.932 9.207 -8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.908 8.015 -7.183 1.00 0.00 H new ATOM 456 N VAL A 46 8.922 7.749 -6.650 1.00 0.00 N ATOM 457 CA VAL A 46 9.659 7.110 -5.556 1.00 0.00 C ATOM 458 C VAL A 46 10.425 8.193 -4.824 1.00 0.00 C ATOM 459 O VAL A 46 11.490 7.927 -4.293 1.00 0.00 O ATOM 460 CB VAL A 46 10.520 5.913 -6.076 1.00 0.00 C ATOM 461 CG1 VAL A 46 11.760 6.355 -6.904 1.00 0.00 C ATOM 462 CG2 VAL A 46 10.976 4.948 -4.941 1.00 0.00 C ATOM 0 H VAL A 46 9.511 8.075 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 46 8.989 6.643 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 46 9.844 5.373 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.311 5.474 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.432 6.924 -7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.407 6.978 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.569 4.139 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.578 5.497 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.100 4.532 -4.443 1.00 0.00 H new ATOM 472 N SER A 47 9.898 9.442 -4.790 1.00 0.00 N ATOM 473 CA SER A 47 10.677 10.558 -4.258 1.00 0.00 C ATOM 474 C SER A 47 10.775 10.446 -2.752 1.00 0.00 C ATOM 475 O SER A 47 11.763 9.897 -2.287 1.00 0.00 O ATOM 476 CB SER A 47 10.128 11.929 -4.737 1.00 0.00 C ATOM 477 OG SER A 47 10.770 12.980 -4.000 1.00 0.00 O ATOM 0 H SER A 47 8.963 9.686 -5.117 1.00 0.00 H new ATOM 0 HA SER A 47 11.690 10.502 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.310 12.054 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.049 11.973 -4.590 1.00 0.00 H new ATOM 0 HG SER A 47 10.427 13.847 -4.301 1.00 0.00 H new ATOM 483 N LYS A 48 9.776 10.946 -1.981 1.00 0.00 N ATOM 484 CA LYS A 48 9.770 10.751 -0.531 1.00 0.00 C ATOM 485 C LYS A 48 8.882 9.591 -0.147 1.00 0.00 C ATOM 486 O LYS A 48 8.699 9.393 1.044 1.00 0.00 O ATOM 487 CB LYS A 48 9.351 12.047 0.220 1.00 0.00 C ATOM 488 CG LYS A 48 7.936 12.625 -0.088 1.00 0.00 C ATOM 489 CD LYS A 48 6.776 11.628 0.189 1.00 0.00 C ATOM 490 CE LYS A 48 5.374 12.299 0.242 1.00 0.00 C ATOM 491 NZ LYS A 48 4.342 11.307 0.627 1.00 0.00 N ATOM 0 H LYS A 48 8.983 11.476 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 48 10.790 10.514 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.410 11.851 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.087 12.819 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.782 13.522 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.898 12.930 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.774 10.863 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.963 11.121 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.384 13.120 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.131 12.727 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.406 11.761 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.346 10.520 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.548 10.943 1.579 1.00 0.00 H new ATOM 505 N VAL A 49 8.313 8.838 -1.120 1.00 0.00 N ATOM 506 CA VAL A 49 7.306 7.828 -0.805 1.00 0.00 C ATOM 507 C VAL A 49 7.681 7.069 0.448 1.00 0.00 C ATOM 508 O VAL A 49 8.860 6.795 0.616 1.00 0.00 O ATOM 509 CB VAL A 49 7.140 6.855 -2.009 1.00 0.00 C ATOM 510 CG1 VAL A 49 8.438 6.031 -2.230 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.874 5.973 -1.849 1.00 0.00 C ATOM 0 H VAL A 49 8.538 8.918 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 49 6.354 8.327 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 49 6.984 7.440 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.302 5.357 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.268 6.707 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.657 5.450 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.786 5.304 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.954 5.384 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.991 6.610 -1.794 1.00 0.00 H new ATOM 521 N ASP A 50 6.721 6.722 1.337 1.00 0.00 N ATOM 522 CA ASP A 50 7.072 5.991 2.554 1.00 0.00 C ATOM 523 C ASP A 50 6.871 4.519 2.296 1.00 0.00 C ATOM 524 O ASP A 50 6.178 3.884 3.071 1.00 0.00 O ATOM 525 CB ASP A 50 6.240 6.526 3.756 1.00 0.00 C ATOM 526 CG ASP A 50 4.748 6.387 3.571 1.00 0.00 C ATOM 527 OD1 ASP A 50 4.323 5.610 2.677 1.00 0.00 O ATOM 528 OD2 ASP A 50 3.980 7.056 4.315 1.00 0.00 O ATOM 0 H ASP A 50 5.729 6.933 1.231 1.00 0.00 H new ATOM 0 HA ASP A 50 8.118 6.144 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.537 5.991 4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.481 7.577 3.914 1.00 0.00 H new ATOM 533 N GLN A 51 7.470 3.957 1.221 1.00 0.00 N ATOM 534 CA GLN A 51 7.268 2.541 0.928 1.00 0.00 C ATOM 535 C GLN A 51 7.836 1.743 2.061 1.00 0.00 C ATOM 536 O GLN A 51 7.172 0.828 2.507 1.00 0.00 O ATOM 537 CB GLN A 51 7.997 2.046 -0.350 1.00 0.00 C ATOM 538 CG GLN A 51 7.299 2.609 -1.609 1.00 0.00 C ATOM 539 CD GLN A 51 8.026 2.504 -2.936 1.00 0.00 C ATOM 540 OE1 GLN A 51 7.638 3.166 -3.878 1.00 0.00 O ATOM 541 NE2 GLN A 51 9.099 1.701 -3.073 1.00 0.00 N ATOM 0 H GLN A 51 8.076 4.453 0.568 1.00 0.00 H new ATOM 0 HA GLN A 51 6.195 2.413 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.040 2.363 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.996 0.956 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.340 2.102 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.085 3.662 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.424 1.145 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.586 1.649 -3.968 1.00 0.00 H new ATOM 550 N ALA A 52 9.048 2.088 2.540 1.00 0.00 N ATOM 551 CA ALA A 52 9.637 1.351 3.654 1.00 0.00 C ATOM 552 C ALA A 52 8.624 1.109 4.755 1.00 0.00 C ATOM 553 O ALA A 52 8.705 0.073 5.397 1.00 0.00 O ATOM 554 CB ALA A 52 10.864 2.113 4.209 1.00 0.00 C ATOM 0 H ALA A 52 9.618 2.853 2.179 1.00 0.00 H new ATOM 0 HA ALA A 52 9.960 0.379 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.295 1.554 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.609 2.225 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.553 3.098 4.557 1.00 0.00 H new ATOM 560 N GLY A 53 7.659 2.037 4.967 1.00 0.00 N ATOM 561 CA GLY A 53 6.551 1.773 5.883 1.00 0.00 C ATOM 562 C GLY A 53 5.362 1.164 5.166 1.00 0.00 C ATOM 563 O GLY A 53 4.782 0.230 5.694 1.00 0.00 O ATOM 0 H GLY A 53 7.635 2.954 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.884 1.099 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.248 2.703 6.365 1.00 0.00 H new ATOM 567 N LEU A 54 4.956 1.668 3.976 1.00 0.00 N ATOM 568 CA LEU A 54 3.748 1.164 3.319 1.00 0.00 C ATOM 569 C LEU A 54 3.883 -0.306 3.017 1.00 0.00 C ATOM 570 O LEU A 54 2.866 -0.969 2.904 1.00 0.00 O ATOM 571 CB LEU A 54 3.343 1.955 2.039 1.00 0.00 C ATOM 572 CG LEU A 54 1.828 1.856 1.657 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.227 3.259 1.363 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.529 0.853 0.505 1.00 0.00 C ATOM 0 H LEU A 54 5.442 2.407 3.468 1.00 0.00 H new ATOM 0 HA LEU A 54 2.936 1.318 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.599 3.005 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.939 1.592 1.201 1.00 0.00 H new ATOM 0 HG LEU A 54 1.330 1.444 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.174 3.156 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.321 3.888 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.764 3.718 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.458 0.843 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.067 1.159 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.852 -0.146 0.799 1.00 0.00 H new ATOM 586 N LYS A 55 5.117 -0.832 2.892 1.00 0.00 N ATOM 587 CA LYS A 55 5.312 -2.232 2.550 1.00 0.00 C ATOM 588 C LYS A 55 4.912 -3.184 3.650 1.00 0.00 C ATOM 589 O LYS A 55 4.221 -4.158 3.386 1.00 0.00 O ATOM 590 CB LYS A 55 6.762 -2.459 2.037 1.00 0.00 C ATOM 591 CG LYS A 55 7.985 -2.170 2.945 1.00 0.00 C ATOM 592 CD LYS A 55 8.380 -3.299 3.939 1.00 0.00 C ATOM 593 CE LYS A 55 9.882 -3.708 3.830 1.00 0.00 C ATOM 594 NZ LYS A 55 10.825 -2.587 4.060 1.00 0.00 N ATOM 0 H LYS A 55 5.980 -0.304 3.024 1.00 0.00 H new ATOM 0 HA LYS A 55 4.627 -2.470 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.832 -3.502 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.881 -1.853 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.843 -1.958 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.782 -1.265 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.172 -2.969 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.756 -4.174 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.087 -4.498 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.064 -4.127 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.791 -2.960 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.787 -1.931 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.559 -2.083 4.930 1.00 0.00 H new ATOM 608 N LYS A 56 5.368 -2.885 4.882 1.00 0.00 N ATOM 609 CA LYS A 56 5.056 -3.727 6.039 1.00 0.00 C ATOM 610 C LYS A 56 3.782 -3.263 6.715 1.00 0.00 C ATOM 611 O LYS A 56 3.018 -4.104 7.161 1.00 0.00 O ATOM 612 CB LYS A 56 6.246 -3.800 7.040 1.00 0.00 C ATOM 613 CG LYS A 56 6.749 -2.435 7.593 1.00 0.00 C ATOM 614 CD LYS A 56 8.111 -2.552 8.334 1.00 0.00 C ATOM 615 CE LYS A 56 8.052 -3.342 9.670 1.00 0.00 C ATOM 616 NZ LYS A 56 7.120 -2.735 10.648 1.00 0.00 N ATOM 0 H LYS A 56 5.948 -2.073 5.094 1.00 0.00 H new ATOM 0 HA LYS A 56 4.890 -4.741 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.950 -4.425 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.080 -4.301 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.848 -1.728 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.003 -2.027 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.830 -3.035 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.488 -1.549 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.744 -4.368 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.050 -3.389 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.193 -3.238 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.366 -1.734 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.146 -2.806 10.290 1.00 0.00 H new ATOM 630 N LEU A 57 3.544 -1.935 6.820 1.00 0.00 N ATOM 631 CA LEU A 57 2.376 -1.417 7.538 1.00 0.00 C ATOM 632 C LEU A 57 1.194 -1.335 6.594 1.00 0.00 C ATOM 633 O LEU A 57 0.092 -1.625 7.018 1.00 0.00 O ATOM 634 CB LEU A 57 2.714 -0.022 8.150 1.00 0.00 C ATOM 635 CG LEU A 57 1.863 0.506 9.367 1.00 0.00 C ATOM 636 CD1 LEU A 57 1.275 1.912 9.071 1.00 0.00 C ATOM 637 CD2 LEU A 57 0.713 -0.404 9.878 1.00 0.00 C ATOM 0 H LEU A 57 4.144 -1.215 6.418 1.00 0.00 H new ATOM 0 HA LEU A 57 2.112 -2.090 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.758 -0.045 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.637 0.715 7.351 1.00 0.00 H new ATOM 0 HG LEU A 57 2.598 0.525 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.693 2.251 9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.087 2.614 8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.631 1.860 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.211 0.080 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.003 -0.571 9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.123 -1.360 10.203 1.00 0.00 H new ATOM 649 N GLY A 58 1.350 -0.946 5.311 1.00 0.00 N ATOM 650 CA GLY A 58 0.190 -0.876 4.421 1.00 0.00 C ATOM 651 C GLY A 58 -0.088 -2.230 3.835 1.00 0.00 C ATOM 652 O GLY A 58 -1.217 -2.690 3.914 1.00 0.00 O ATOM 0 H GLY A 58 2.240 -0.685 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.681 -0.523 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.376 -0.156 3.624 1.00 0.00 H new ATOM 656 N ALA A 59 0.953 -2.856 3.237 1.00 0.00 N ATOM 657 CA ALA A 59 0.822 -4.198 2.694 1.00 0.00 C ATOM 658 C ALA A 59 1.490 -5.129 3.680 1.00 0.00 C ATOM 659 O ALA A 59 1.709 -4.709 4.805 1.00 0.00 O ATOM 660 CB ALA A 59 1.439 -4.207 1.265 1.00 0.00 C ATOM 0 H ALA A 59 1.880 -2.444 3.127 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.208 -4.533 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.352 -5.206 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.907 -3.495 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.491 -3.927 1.321 1.00 0.00 H new ATOM 666 N ALA A 60 1.815 -6.381 3.287 1.00 0.00 N ATOM 667 CA ALA A 60 2.488 -7.324 4.181 1.00 0.00 C ATOM 668 C ALA A 60 3.685 -7.915 3.472 1.00 0.00 C ATOM 669 O ALA A 60 3.951 -9.095 3.639 1.00 0.00 O ATOM 670 CB ALA A 60 1.515 -8.452 4.617 1.00 0.00 C ATOM 0 H ALA A 60 1.619 -6.752 2.357 1.00 0.00 H new ATOM 0 HA ALA A 60 2.818 -6.795 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.034 -9.143 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.664 -8.016 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.164 -8.990 3.736 1.00 0.00 H new ATOM 676 N GLY A 61 4.415 -7.106 2.669 1.00 0.00 N ATOM 677 CA GLY A 61 5.574 -7.621 1.948 1.00 0.00 C ATOM 678 C GLY A 61 5.596 -7.055 0.551 1.00 0.00 C ATOM 679 O GLY A 61 4.690 -7.387 -0.198 1.00 0.00 O ATOM 0 H GLY A 61 4.218 -6.117 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.490 -7.353 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.536 -8.710 1.909 1.00 0.00 H new ATOM 683 N VAL A 62 6.602 -6.219 0.190 1.00 0.00 N ATOM 684 CA VAL A 62 6.686 -5.705 -1.176 1.00 0.00 C ATOM 685 C VAL A 62 8.101 -5.845 -1.659 1.00 0.00 C ATOM 686 O VAL A 62 8.960 -6.261 -0.898 1.00 0.00 O ATOM 687 CB VAL A 62 6.165 -4.238 -1.306 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.956 -4.020 -0.360 1.00 0.00 C ATOM 689 CG2 VAL A 62 7.286 -3.163 -1.184 1.00 0.00 C ATOM 0 H VAL A 62 7.342 -5.901 0.816 1.00 0.00 H new ATOM 0 HA VAL A 62 6.026 -6.297 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 62 5.804 -4.095 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.599 -2.995 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.156 -4.710 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.263 -4.202 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.850 -2.169 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.770 -3.251 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.024 -3.316 -1.971 1.00 0.00 H new ATOM 699 N VAL A 63 8.333 -5.504 -2.943 1.00 0.00 N ATOM 700 CA VAL A 63 9.657 -5.642 -3.530 1.00 0.00 C ATOM 701 C VAL A 63 9.782 -4.514 -4.528 1.00 0.00 C ATOM 702 O VAL A 63 8.831 -4.302 -5.262 1.00 0.00 O ATOM 703 CB VAL A 63 9.847 -7.076 -4.119 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.494 -7.814 -4.314 1.00 0.00 C ATOM 705 CG2 VAL A 63 10.649 -7.058 -5.444 1.00 0.00 C ATOM 0 H VAL A 63 7.623 -5.137 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 63 10.465 -5.554 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 63 10.427 -7.631 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.677 -8.807 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.989 -7.907 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.866 -7.247 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.757 -8.076 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.120 -6.455 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.636 -6.630 -5.266 1.00 0.00 H new ATOM 715 N VAL A 64 10.914 -3.774 -4.546 1.00 0.00 N ATOM 716 CA VAL A 64 11.024 -2.589 -5.390 1.00 0.00 C ATOM 717 C VAL A 64 11.949 -2.966 -6.521 1.00 0.00 C ATOM 718 O VAL A 64 12.974 -3.561 -6.231 1.00 0.00 O ATOM 719 CB VAL A 64 11.576 -1.406 -4.546 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.601 -0.082 -5.358 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.731 -1.228 -3.257 1.00 0.00 C ATOM 0 H VAL A 64 11.745 -3.981 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 64 10.063 -2.265 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 64 12.604 -1.646 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.993 0.721 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.238 -0.204 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.589 0.168 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.127 -0.397 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.695 -1.021 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.776 -2.141 -2.663 1.00 0.00 H new ATOM 731 N ALA A 65 11.611 -2.657 -7.794 1.00 0.00 N ATOM 732 CA ALA A 65 12.428 -3.123 -8.915 1.00 0.00 C ATOM 733 C ALA A 65 12.448 -2.057 -9.985 1.00 0.00 C ATOM 734 O ALA A 65 11.623 -2.154 -10.877 1.00 0.00 O ATOM 735 CB ALA A 65 11.805 -4.445 -9.437 1.00 0.00 C ATOM 0 H ALA A 65 10.798 -2.101 -8.057 1.00 0.00 H new ATOM 0 HA ALA A 65 13.458 -3.310 -8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.393 -4.818 -10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.801 -5.186 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.782 -4.260 -9.765 1.00 0.00 H new ATOM 741 N GLY A 66 13.362 -1.056 -9.908 1.00 0.00 N ATOM 742 CA GLY A 66 13.394 0.042 -10.879 1.00 0.00 C ATOM 743 C GLY A 66 12.786 -0.341 -12.209 1.00 0.00 C ATOM 744 O GLY A 66 13.396 -1.166 -12.869 1.00 0.00 O ATOM 0 H GLY A 66 14.078 -0.996 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.857 0.899 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.426 0.357 -11.033 1.00 0.00 H new ATOM 748 N SER A 67 11.596 0.209 -12.566 1.00 0.00 N ATOM 749 CA SER A 67 10.775 -0.309 -13.668 1.00 0.00 C ATOM 750 C SER A 67 9.436 -0.744 -13.112 1.00 0.00 C ATOM 751 O SER A 67 8.456 -0.732 -13.842 1.00 0.00 O ATOM 752 CB SER A 67 11.333 -1.459 -14.548 1.00 0.00 C ATOM 753 OG SER A 67 11.574 -2.674 -13.813 1.00 0.00 O ATOM 0 H SER A 67 11.190 1.018 -12.096 1.00 0.00 H new ATOM 0 HA SER A 67 10.732 0.535 -14.356 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.629 -1.664 -15.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.264 -1.133 -15.012 1.00 0.00 H new ATOM 0 HG SER A 67 12.343 -2.549 -13.218 1.00 0.00 H new ATOM 759 N GLY A 68 9.367 -1.132 -11.816 1.00 0.00 N ATOM 760 CA GLY A 68 8.091 -1.502 -11.224 1.00 0.00 C ATOM 761 C GLY A 68 8.234 -1.808 -9.752 1.00 0.00 C ATOM 762 O GLY A 68 9.357 -1.923 -9.288 1.00 0.00 O ATOM 0 H GLY A 68 10.167 -1.191 -11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.376 -0.691 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.687 -2.373 -11.741 1.00 0.00 H new ATOM 766 N VAL A 69 7.108 -1.942 -9.014 1.00 0.00 N ATOM 767 CA VAL A 69 7.154 -2.240 -7.580 1.00 0.00 C ATOM 768 C VAL A 69 6.080 -3.270 -7.386 1.00 0.00 C ATOM 769 O VAL A 69 5.070 -3.129 -8.059 1.00 0.00 O ATOM 770 CB VAL A 69 6.865 -1.006 -6.683 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.939 -1.359 -5.170 1.00 0.00 C ATOM 772 CG2 VAL A 69 7.821 0.153 -7.056 1.00 0.00 C ATOM 0 H VAL A 69 6.166 -1.848 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 69 8.151 -2.573 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 69 5.842 -0.678 -6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.731 -0.468 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.202 -2.128 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.936 -1.728 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.612 1.015 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.853 -0.165 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.672 0.426 -8.101 1.00 0.00 H new ATOM 782 N GLN A 70 6.272 -4.275 -6.503 1.00 0.00 N ATOM 783 CA GLN A 70 5.288 -5.334 -6.375 1.00 0.00 C ATOM 784 C GLN A 70 4.938 -5.441 -4.919 1.00 0.00 C ATOM 785 O GLN A 70 5.892 -5.441 -4.164 1.00 0.00 O ATOM 786 CB GLN A 70 5.770 -6.676 -7.001 1.00 0.00 C ATOM 787 CG GLN A 70 7.107 -6.580 -7.784 1.00 0.00 C ATOM 788 CD GLN A 70 7.497 -7.966 -8.248 1.00 0.00 C ATOM 789 OE1 GLN A 70 7.858 -8.771 -7.404 1.00 0.00 O ATOM 790 NE2 GLN A 70 7.430 -8.286 -9.558 1.00 0.00 N ATOM 0 H GLN A 70 7.083 -4.362 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 70 4.391 -5.092 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.882 -7.413 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.996 -7.047 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.998 -5.912 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.887 -6.160 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.124 -7.590 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.685 -9.224 -9.868 1.00 0.00 H new ATOM 799 N ALA A 71 3.644 -5.510 -4.521 1.00 0.00 N ATOM 800 CA ALA A 71 3.254 -5.396 -3.124 1.00 0.00 C ATOM 801 C ALA A 71 2.277 -6.498 -2.798 1.00 0.00 C ATOM 802 O ALA A 71 1.514 -6.861 -3.678 1.00 0.00 O ATOM 803 CB ALA A 71 2.776 -3.952 -2.764 1.00 0.00 C ATOM 0 H ALA A 71 2.862 -5.645 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 71 4.118 -5.541 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.495 -3.914 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.584 -3.244 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.915 -3.690 -3.379 1.00 0.00 H new ATOM 809 N ILE A 72 2.313 -7.082 -1.573 1.00 0.00 N ATOM 810 CA ILE A 72 1.494 -8.254 -1.275 1.00 0.00 C ATOM 811 C ILE A 72 0.896 -8.063 0.098 1.00 0.00 C ATOM 812 O ILE A 72 1.654 -7.665 0.966 1.00 0.00 O ATOM 813 CB ILE A 72 2.280 -9.598 -1.463 1.00 0.00 C ATOM 814 CG1 ILE A 72 1.870 -10.398 -2.746 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.145 -10.556 -0.250 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.678 -9.960 -3.987 1.00 0.00 C ATOM 0 H ILE A 72 2.893 -6.758 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 72 0.678 -8.342 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 72 3.314 -9.268 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.022 -11.463 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.807 -10.255 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.711 -11.468 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.534 -10.068 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.095 -10.806 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.360 -10.542 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.505 -8.901 -4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.740 -10.128 -3.808 1.00 0.00 H new ATOM 828 N PHE A 73 -0.412 -8.343 0.326 1.00 0.00 N ATOM 829 CA PHE A 73 -1.011 -8.152 1.649 1.00 0.00 C ATOM 830 C PHE A 73 -1.669 -9.448 2.017 1.00 0.00 C ATOM 831 O PHE A 73 -2.856 -9.447 2.288 1.00 0.00 O ATOM 832 CB PHE A 73 -1.906 -6.888 1.746 1.00 0.00 C ATOM 833 CG PHE A 73 -3.087 -6.732 0.774 1.00 0.00 C ATOM 834 CD1 PHE A 73 -2.839 -6.546 -0.593 1.00 0.00 C ATOM 835 CD2 PHE A 73 -4.409 -6.709 1.230 1.00 0.00 C ATOM 836 CE1 PHE A 73 -3.895 -6.321 -1.478 1.00 0.00 C ATOM 837 CE2 PHE A 73 -5.449 -6.356 0.359 1.00 0.00 C ATOM 838 CZ PHE A 73 -5.202 -6.193 -1.004 1.00 0.00 C ATOM 0 H PHE A 73 -1.054 -8.696 -0.384 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.250 -7.926 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.306 -6.846 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.261 -6.018 1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.825 -6.577 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.629 -6.964 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.699 -6.245 -2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.447 -6.209 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.011 -5.971 -1.684 1.00 0.00 H new ATOM 848 N GLY A 74 -0.857 -10.536 1.994 1.00 0.00 N ATOM 849 CA GLY A 74 -1.346 -11.881 2.281 1.00 0.00 C ATOM 850 C GLY A 74 -1.182 -12.131 3.757 1.00 0.00 C ATOM 851 O GLY A 74 -1.404 -11.190 4.503 1.00 0.00 O ATOM 0 H GLY A 74 0.139 -10.493 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.393 -11.975 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.789 -12.620 1.705 1.00 0.00 H new ATOM 855 N THR A 75 -0.798 -13.365 4.177 1.00 0.00 N ATOM 856 CA THR A 75 -0.566 -13.653 5.592 1.00 0.00 C ATOM 857 C THR A 75 -1.555 -12.906 6.468 1.00 0.00 C ATOM 858 O THR A 75 -2.732 -13.224 6.391 1.00 0.00 O ATOM 859 CB THR A 75 0.942 -13.479 5.940 1.00 0.00 C ATOM 860 OG1 THR A 75 1.044 -13.466 7.376 1.00 0.00 O ATOM 861 CG2 THR A 75 1.563 -12.201 5.304 1.00 0.00 C ATOM 0 H THR A 75 -0.648 -14.159 3.554 1.00 0.00 H new ATOM 0 HA THR A 75 -0.773 -14.701 5.810 1.00 0.00 H new ATOM 0 HB THR A 75 1.515 -14.305 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.983 -13.359 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.615 -12.132 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.476 -12.255 4.219 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.034 -11.320 5.667 1.00 0.00 H new ATOM 869 N LYS A 76 -1.129 -11.922 7.296 1.00 0.00 N ATOM 870 CA LYS A 76 -2.072 -11.099 8.061 1.00 0.00 C ATOM 871 C LYS A 76 -2.838 -10.206 7.083 1.00 0.00 C ATOM 872 O LYS A 76 -2.747 -8.991 7.167 1.00 0.00 O ATOM 873 CB LYS A 76 -1.309 -10.309 9.188 1.00 0.00 C ATOM 874 CG LYS A 76 -1.828 -10.543 10.634 1.00 0.00 C ATOM 875 CD LYS A 76 -1.142 -11.752 11.321 1.00 0.00 C ATOM 876 CE LYS A 76 -1.749 -12.047 12.723 1.00 0.00 C ATOM 877 NZ LYS A 76 -1.757 -10.876 13.631 1.00 0.00 N ATOM 0 H LYS A 76 -0.148 -11.687 7.444 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.806 -11.713 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.255 -10.583 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.370 -9.244 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.656 -9.646 11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.905 -10.707 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.244 -12.634 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.075 -11.554 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.771 -12.405 12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.184 -12.853 13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.096 -11.167 14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.793 -10.494 13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.388 -10.144 13.247 1.00 0.00 H new ATOM 891 N SER A 77 -3.626 -10.750 6.119 1.00 0.00 N ATOM 892 CA SER A 77 -4.363 -9.876 5.208 1.00 0.00 C ATOM 893 C SER A 77 -5.485 -9.260 6.002 1.00 0.00 C ATOM 894 O SER A 77 -5.621 -8.051 6.003 1.00 0.00 O ATOM 895 CB SER A 77 -4.965 -10.554 3.946 1.00 0.00 C ATOM 896 OG SER A 77 -6.110 -11.383 4.202 1.00 0.00 O ATOM 0 H SER A 77 -3.756 -11.750 5.966 1.00 0.00 H new ATOM 0 HA SER A 77 -3.641 -9.158 4.819 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.246 -9.779 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.193 -11.160 3.472 1.00 0.00 H new ATOM 0 HG SER A 77 -6.429 -11.770 3.360 1.00 0.00 H new ATOM 902 N ASP A 78 -6.304 -10.086 6.688 1.00 0.00 N ATOM 903 CA ASP A 78 -7.456 -9.549 7.405 1.00 0.00 C ATOM 904 C ASP A 78 -7.037 -8.461 8.369 1.00 0.00 C ATOM 905 O ASP A 78 -7.753 -7.480 8.493 1.00 0.00 O ATOM 906 CB ASP A 78 -8.205 -10.682 8.155 1.00 0.00 C ATOM 907 CG ASP A 78 -8.731 -11.679 7.148 1.00 0.00 C ATOM 908 OD1 ASP A 78 -7.898 -12.418 6.554 1.00 0.00 O ATOM 909 OD2 ASP A 78 -9.974 -11.729 6.934 1.00 0.00 O ATOM 0 H ASP A 78 -6.186 -11.097 6.754 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.134 -9.109 6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.533 -11.176 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.027 -10.267 8.738 1.00 0.00 H new ATOM 914 N ASN A 79 -5.881 -8.614 9.055 1.00 0.00 N ATOM 915 CA ASN A 79 -5.443 -7.578 9.991 1.00 0.00 C ATOM 916 C ASN A 79 -5.003 -6.330 9.252 1.00 0.00 C ATOM 917 O ASN A 79 -5.336 -5.235 9.678 1.00 0.00 O ATOM 918 CB ASN A 79 -4.269 -8.095 10.860 1.00 0.00 C ATOM 919 CG ASN A 79 -3.884 -7.106 11.933 1.00 0.00 C ATOM 920 OD1 ASN A 79 -4.725 -6.798 12.763 1.00 0.00 O ATOM 921 ND2 ASN A 79 -2.633 -6.589 11.954 1.00 0.00 N ATOM 0 H ASN A 79 -5.260 -9.419 8.977 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.290 -7.331 10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.549 -9.041 11.322 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.407 -8.294 10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.369 -5.921 12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.954 -6.868 11.246 1.00 0.00 H new ATOM 928 N LEU A 80 -4.253 -6.479 8.135 1.00 0.00 N ATOM 929 CA LEU A 80 -3.796 -5.308 7.380 1.00 0.00 C ATOM 930 C LEU A 80 -4.974 -4.675 6.666 1.00 0.00 C ATOM 931 O LEU A 80 -4.960 -3.469 6.487 1.00 0.00 O ATOM 932 CB LEU A 80 -2.651 -5.654 6.382 1.00 0.00 C ATOM 933 CG LEU A 80 -1.225 -5.695 7.022 1.00 0.00 C ATOM 934 CD1 LEU A 80 -0.553 -4.301 7.001 1.00 0.00 C ATOM 935 CD2 LEU A 80 -1.194 -6.204 8.491 1.00 0.00 C ATOM 0 H LEU A 80 -3.962 -7.378 7.751 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.377 -4.593 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.861 -6.623 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.653 -4.919 5.577 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.681 -6.407 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.436 -4.367 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.458 -3.958 5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.163 -3.595 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.167 -6.200 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.803 -5.551 9.115 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.590 -7.219 8.533 1.00 0.00 H new ATOM 947 N LYS A 81 -6.007 -5.445 6.253 1.00 0.00 N ATOM 948 CA LYS A 81 -7.202 -4.842 5.662 1.00 0.00 C ATOM 949 C LYS A 81 -8.069 -4.275 6.765 1.00 0.00 C ATOM 950 O LYS A 81 -8.775 -3.318 6.496 1.00 0.00 O ATOM 951 CB LYS A 81 -8.044 -5.862 4.846 1.00 0.00 C ATOM 952 CG LYS A 81 -7.245 -6.417 3.637 1.00 0.00 C ATOM 953 CD LYS A 81 -8.069 -7.371 2.726 1.00 0.00 C ATOM 954 CE LYS A 81 -8.840 -8.474 3.498 1.00 0.00 C ATOM 955 NZ LYS A 81 -9.432 -9.465 2.567 1.00 0.00 N ATOM 0 H LYS A 81 -6.030 -6.463 6.320 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.867 -4.062 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.347 -6.685 5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.956 -5.382 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.882 -5.581 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.368 -6.949 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.781 -6.781 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.396 -7.845 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.164 -8.978 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.628 -8.019 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.941 -10.191 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.094 -8.985 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.676 -9.915 2.012 1.00 0.00 H new ATOM 969 N THR A 82 -8.051 -4.831 8.000 1.00 0.00 N ATOM 970 CA THR A 82 -8.863 -4.262 9.077 1.00 0.00 C ATOM 971 C THR A 82 -8.392 -2.852 9.329 1.00 0.00 C ATOM 972 O THR A 82 -9.197 -1.936 9.266 1.00 0.00 O ATOM 973 CB THR A 82 -8.796 -5.103 10.387 1.00 0.00 C ATOM 974 OG1 THR A 82 -9.617 -6.275 10.249 1.00 0.00 O ATOM 975 CG2 THR A 82 -9.300 -4.317 11.625 1.00 0.00 C ATOM 0 H THR A 82 -7.498 -5.648 8.261 1.00 0.00 H new ATOM 0 HA THR A 82 -9.907 -4.270 8.765 1.00 0.00 H new ATOM 0 HB THR A 82 -7.748 -5.361 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.180 -6.911 9.646 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.232 -4.949 12.510 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.686 -3.428 11.766 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.337 -4.021 11.470 1.00 0.00 H new ATOM 983 N GLU A 83 -7.090 -2.643 9.624 1.00 0.00 N ATOM 984 CA GLU A 83 -6.629 -1.274 9.845 1.00 0.00 C ATOM 985 C GLU A 83 -6.969 -0.427 8.635 1.00 0.00 C ATOM 986 O GLU A 83 -7.361 0.713 8.833 1.00 0.00 O ATOM 987 CB GLU A 83 -5.114 -1.187 10.181 1.00 0.00 C ATOM 988 CG GLU A 83 -4.262 -1.539 8.941 1.00 0.00 C ATOM 989 CD GLU A 83 -2.778 -1.537 9.154 1.00 0.00 C ATOM 990 OE1 GLU A 83 -2.300 -1.779 10.295 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.089 -1.280 8.134 1.00 0.00 O ATOM 0 H GLU A 83 -6.379 -3.370 9.709 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.149 -0.889 10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.869 -0.182 10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.877 -1.869 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.559 -2.526 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.498 -0.831 8.147 1.00 0.00 H new ATOM 998 N MET A 84 -6.847 -0.943 7.381 1.00 0.00 N ATOM 999 CA MET A 84 -7.213 -0.110 6.240 1.00 0.00 C ATOM 1000 C MET A 84 -8.681 0.208 6.361 1.00 0.00 C ATOM 1001 O MET A 84 -9.049 1.344 6.112 1.00 0.00 O ATOM 1002 CB MET A 84 -6.967 -0.676 4.810 1.00 0.00 C ATOM 1003 CG MET A 84 -5.467 -0.815 4.435 1.00 0.00 C ATOM 1004 SD MET A 84 -5.227 -0.801 2.622 1.00 0.00 S ATOM 1005 CE MET A 84 -6.287 -2.170 2.060 1.00 0.00 C ATOM 0 H MET A 84 -6.515 -1.881 7.157 1.00 0.00 H new ATOM 0 HA MET A 84 -6.543 0.747 6.306 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.443 -1.653 4.731 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.454 -0.025 4.084 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.901 0.001 4.885 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.072 -1.743 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.155 -2.316 0.988 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.011 -3.084 2.587 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.330 -1.932 2.268 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.534 -0.768 6.744 1.00 0.00 N ATOM 1016 CA ASP A 85 -10.961 -0.486 6.846 1.00 0.00 C ATOM 1017 C ASP A 85 -11.147 0.746 7.703 1.00 0.00 C ATOM 1018 O ASP A 85 -11.875 1.640 7.298 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.793 -1.672 7.406 1.00 0.00 C ATOM 1020 CG ASP A 85 -13.280 -1.440 7.288 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -13.696 -0.563 6.481 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -14.053 -2.136 8.000 1.00 0.00 O ATOM 0 H ASP A 85 -9.261 -1.723 6.978 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.338 -0.319 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.527 -2.583 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.535 -1.831 8.453 1.00 0.00 H new ATOM 1027 N GLU A 86 -10.475 0.818 8.879 1.00 0.00 N ATOM 1028 CA GLU A 86 -10.586 2.023 9.693 1.00 0.00 C ATOM 1029 C GLU A 86 -10.117 3.226 8.910 1.00 0.00 C ATOM 1030 O GLU A 86 -10.739 4.265 9.043 1.00 0.00 O ATOM 1031 CB GLU A 86 -9.784 2.029 11.026 1.00 0.00 C ATOM 1032 CG GLU A 86 -10.450 1.169 12.134 1.00 0.00 C ATOM 1033 CD GLU A 86 -9.891 1.556 13.483 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -8.651 1.432 13.670 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -10.683 1.999 14.361 1.00 0.00 O ATOM 0 H GLU A 86 -9.879 0.083 9.261 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.645 2.053 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.777 1.657 10.840 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.684 3.055 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.530 1.315 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.269 0.111 11.945 1.00 0.00 H new ATOM 1042 N TYR A 87 -9.026 3.137 8.119 1.00 0.00 N ATOM 1043 CA TYR A 87 -8.524 4.337 7.451 1.00 0.00 C ATOM 1044 C TYR A 87 -9.592 5.006 6.613 1.00 0.00 C ATOM 1045 O TYR A 87 -9.724 6.218 6.688 1.00 0.00 O ATOM 1046 CB TYR A 87 -7.320 4.022 6.523 1.00 0.00 C ATOM 1047 CG TYR A 87 -6.119 3.354 7.223 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -5.991 3.230 8.608 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -5.104 2.823 6.411 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -4.935 2.483 9.155 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -3.991 2.191 6.956 1.00 0.00 C ATOM 1052 CZ TYR A 87 -3.910 1.996 8.344 1.00 0.00 C ATOM 1053 OH TYR A 87 -2.803 1.320 8.869 1.00 0.00 O ATOM 0 H TYR A 87 -8.501 2.281 7.938 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.209 5.007 8.251 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.661 3.371 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.983 4.950 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.706 3.710 9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.189 2.907 5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.916 2.283 10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.192 1.852 6.314 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.386 0.780 8.166 1.00 0.00 H new ATOM 1063 N ILE A 88 -10.358 4.241 5.802 1.00 0.00 N ATOM 1064 CA ILE A 88 -11.362 4.872 4.943 1.00 0.00 C ATOM 1065 C ILE A 88 -12.496 5.350 5.824 1.00 0.00 C ATOM 1066 O ILE A 88 -12.973 6.458 5.634 1.00 0.00 O ATOM 1067 CB ILE A 88 -11.898 3.928 3.821 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -10.738 3.190 3.074 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -12.770 4.734 2.815 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -10.744 1.662 3.344 1.00 0.00 C ATOM 0 H ILE A 88 -10.299 3.225 5.730 1.00 0.00 H new ATOM 0 HA ILE A 88 -10.891 5.705 4.422 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.513 3.164 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.827 3.368 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.782 3.609 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.139 4.066 2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.614 5.179 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.168 5.522 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.921 1.194 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.627 1.481 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.689 1.236 3.005 1.00 0.00 H new ATOM 1082 N ARG A 89 -12.935 4.528 6.804 1.00 0.00 N ATOM 1083 CA ARG A 89 -13.989 4.972 7.717 1.00 0.00 C ATOM 1084 C ARG A 89 -13.537 6.200 8.495 1.00 0.00 C ATOM 1085 O ARG A 89 -14.366 7.029 8.836 1.00 0.00 O ATOM 1086 CB ARG A 89 -14.393 3.831 8.694 1.00 0.00 C ATOM 1087 CG ARG A 89 -15.081 2.634 7.969 1.00 0.00 C ATOM 1088 CD ARG A 89 -15.370 1.437 8.924 1.00 0.00 C ATOM 1089 NE ARG A 89 -16.759 0.968 8.812 1.00 0.00 N ATOM 1090 CZ ARG A 89 -17.216 0.208 7.838 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -16.472 -0.189 6.831 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -18.475 -0.167 7.875 1.00 0.00 N ATOM 0 H ARG A 89 -12.584 3.585 6.973 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.863 5.238 7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.505 3.473 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.069 4.229 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.017 2.973 7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.444 2.296 7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.690 0.617 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.170 1.737 9.953 1.00 0.00 H new ATOM 0 HE ARG A 89 -17.415 1.251 9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.493 0.091 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.874 -0.777 6.101 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -19.073 0.131 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.854 -0.756 7.133 1.00 0.00 H new ATOM 1106 N ASN A 90 -12.220 6.333 8.778 1.00 0.00 N ATOM 1107 CA ASN A 90 -11.697 7.507 9.480 1.00 0.00 C ATOM 1108 C ASN A 90 -11.566 8.682 8.536 1.00 0.00 C ATOM 1109 O ASN A 90 -11.628 9.809 9.003 1.00 0.00 O ATOM 1110 CB ASN A 90 -10.291 7.209 10.073 1.00 0.00 C ATOM 1111 CG ASN A 90 -9.762 8.386 10.864 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -8.965 9.146 10.338 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -10.189 8.571 12.134 1.00 0.00 N ATOM 0 H ASN A 90 -11.512 5.642 8.529 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.398 7.747 10.279 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.345 6.331 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.598 6.970 9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.844 9.362 12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.856 7.919 12.548 1.00 0.00 H new ATOM 1120 N PHE A 91 -11.373 8.433 7.217 1.00 0.00 N ATOM 1121 CA PHE A 91 -11.155 9.518 6.258 1.00 0.00 C ATOM 1122 C PHE A 91 -12.214 9.441 5.176 1.00 0.00 C ATOM 1123 O PHE A 91 -11.910 9.656 4.013 1.00 0.00 O ATOM 1124 CB PHE A 91 -9.692 9.375 5.737 1.00 0.00 C ATOM 1125 CG PHE A 91 -8.901 10.689 5.775 1.00 0.00 C ATOM 1126 CD1 PHE A 91 -8.636 11.283 7.015 1.00 0.00 C ATOM 1127 CD2 PHE A 91 -8.422 11.290 4.604 1.00 0.00 C ATOM 1128 CE1 PHE A 91 -7.867 12.447 7.091 1.00 0.00 C ATOM 1129 CE2 PHE A 91 -7.636 12.444 4.680 1.00 0.00 C ATOM 1130 CZ PHE A 91 -7.355 13.021 5.923 1.00 0.00 C ATOM 0 H PHE A 91 -11.366 7.499 6.807 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.257 10.510 6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.172 8.629 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.714 9.002 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.028 10.839 7.918 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.660 10.862 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.668 12.903 8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.245 12.891 3.778 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.743 13.909 5.981 1.00 0.00 H new ATOM 1140 N GLY A 92 -13.477 9.127 5.553 1.00 0.00 N ATOM 1141 CA GLY A 92 -14.522 8.973 4.544 1.00 0.00 C ATOM 1142 C GLY A 92 -15.840 8.615 5.167 1.00 0.00 C ATOM 1143 O GLY A 92 -15.916 7.692 5.974 1.00 0.00 O ATOM 0 H GLY A 92 -13.778 8.982 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.625 9.900 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.232 8.199 3.834 1.00 0.00 H new TER 1147 GLY A 92