USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 29 GLN : amide:sc= -4.51! C(o=-11!,f=-16!) USER MOD Set 1.2: A 132 MET CE :methyl 136:sc= -6.48! (180deg=-11!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 37 ASN : amide:sc= -5.26 K(o=-5.3,f=-3.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -41:sc= 1.03 USER MOD Single : A 64 SER OG : rot 5:sc= 0.849! USER MOD Single : A 71 SER OG : rot -107:sc= 0.64 USER MOD Single : A 73 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2!) USER MOD Single : A 86 HIS : no HD1:sc= -2 X(o=-2,f=-2.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -112:sc= -1.96 (180deg=-3.87!) USER MOD Single : A 92 ASN : amide:sc= -10.5! C(o=-11!,f=-15!) USER MOD Single : A 124 SER OG : rot 25:sc= 0.0146 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 136 MET CE :methyl -155:sc= -0.189 (180deg=-1.3!) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.948 6.049 6.122 1.00 0.00 N ATOM 19 CA GLN A 28 11.037 4.558 6.171 1.00 0.00 C ATOM 20 C GLN A 28 10.516 4.041 7.516 1.00 0.00 C ATOM 21 O GLN A 28 10.509 4.759 8.500 1.00 0.00 O ATOM 22 CB GLN A 28 12.524 4.243 6.009 1.00 0.00 C ATOM 23 CG GLN A 28 12.979 4.643 4.603 1.00 0.00 C ATOM 24 CD GLN A 28 14.454 4.272 4.408 1.00 0.00 C ATOM 25 OE1 GLN A 28 14.989 3.443 5.119 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.138 4.857 3.462 1.00 0.00 N ATOM 0 HA GLN A 28 10.436 4.082 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.105 4.782 6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.702 3.180 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.366 4.139 3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.842 5.715 4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.691 5.552 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.120 4.618 3.320 1.00 0.00 H new ATOM 35 N GLN A 29 10.084 2.803 7.556 1.00 0.00 N ATOM 36 CA GLN A 29 9.558 2.220 8.831 1.00 0.00 C ATOM 37 C GLN A 29 10.573 1.211 9.406 1.00 0.00 C ATOM 38 O GLN A 29 11.175 0.470 8.655 1.00 0.00 O ATOM 39 CB GLN A 29 8.248 1.514 8.439 1.00 0.00 C ATOM 40 CG GLN A 29 7.133 1.903 9.411 1.00 0.00 C ATOM 41 CD GLN A 29 6.507 3.226 8.962 1.00 0.00 C ATOM 42 OE1 GLN A 29 6.629 4.230 9.636 1.00 0.00 O ATOM 43 NE2 GLN A 29 5.841 3.268 7.841 1.00 0.00 N ATOM 0 H GLN A 29 10.073 2.169 6.757 1.00 0.00 H new ATOM 0 HA GLN A 29 9.393 2.977 9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.967 1.789 7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.390 0.433 8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.374 1.121 9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.533 2.001 10.420 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.739 2.425 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.422 4.144 7.529 1.00 0.00 H new ATOM 52 N PRO A 30 10.746 1.206 10.722 1.00 0.00 N ATOM 53 CA PRO A 30 11.709 0.267 11.336 1.00 0.00 C ATOM 54 C PRO A 30 11.089 -1.135 11.492 1.00 0.00 C ATOM 55 O PRO A 30 11.311 -2.000 10.662 1.00 0.00 O ATOM 56 CB PRO A 30 12.024 0.907 12.688 1.00 0.00 C ATOM 57 CG PRO A 30 10.841 1.767 13.022 1.00 0.00 C ATOM 58 CD PRO A 30 10.087 2.047 11.741 1.00 0.00 C ATOM 0 HA PRO A 30 12.604 0.115 10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.182 0.146 13.453 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.936 1.501 12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.195 1.263 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.166 2.699 13.484 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.031 1.794 11.840 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.138 3.103 11.475 1.00 0.00 H new ATOM 66 N GLU A 31 10.325 -1.372 12.541 1.00 0.00 N ATOM 67 CA GLU A 31 9.703 -2.719 12.742 1.00 0.00 C ATOM 68 C GLU A 31 8.178 -2.641 12.628 1.00 0.00 C ATOM 69 O GLU A 31 7.518 -2.019 13.441 1.00 0.00 O ATOM 70 CB GLU A 31 10.110 -3.134 14.156 1.00 0.00 C ATOM 71 CG GLU A 31 11.636 -3.259 14.235 1.00 0.00 C ATOM 72 CD GLU A 31 12.041 -3.798 15.611 1.00 0.00 C ATOM 73 OE1 GLU A 31 11.349 -3.502 16.573 1.00 0.00 O ATOM 74 OE2 GLU A 31 13.039 -4.496 15.678 1.00 0.00 O ATOM 0 H GLU A 31 10.108 -0.686 13.264 1.00 0.00 H new ATOM 0 HA GLU A 31 10.034 -3.434 11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.757 -2.397 14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.643 -4.084 14.416 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.997 -3.926 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.099 -2.287 14.064 1.00 0.00 H new ATOM 81 N THR A 32 7.619 -3.283 11.629 1.00 0.00 N ATOM 82 CA THR A 32 6.134 -3.274 11.446 1.00 0.00 C ATOM 83 C THR A 32 5.676 -4.631 10.904 1.00 0.00 C ATOM 84 O THR A 32 6.491 -5.414 10.444 1.00 0.00 O ATOM 85 CB THR A 32 5.868 -2.146 10.439 1.00 0.00 C ATOM 86 OG1 THR A 32 4.472 -2.045 10.204 1.00 0.00 O ATOM 87 CG2 THR A 32 6.593 -2.423 9.115 1.00 0.00 C ATOM 0 H THR A 32 8.133 -3.817 10.928 1.00 0.00 H new ATOM 0 HA THR A 32 5.589 -3.109 12.376 1.00 0.00 H new ATOM 0 HB THR A 32 6.243 -1.210 10.852 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.300 -1.324 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.393 -1.613 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.666 -2.490 9.295 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.236 -3.363 8.695 1.00 0.00 H new ATOM 95 N GLU A 33 4.388 -4.919 10.949 1.00 0.00 N ATOM 96 CA GLU A 33 3.906 -6.235 10.422 1.00 0.00 C ATOM 97 C GLU A 33 2.923 -6.032 9.262 1.00 0.00 C ATOM 98 O GLU A 33 2.174 -5.069 9.233 1.00 0.00 O ATOM 99 CB GLU A 33 3.233 -6.932 11.608 1.00 0.00 C ATOM 100 CG GLU A 33 2.074 -6.084 12.134 1.00 0.00 C ATOM 101 CD GLU A 33 1.133 -6.961 12.960 1.00 0.00 C ATOM 102 OE1 GLU A 33 0.480 -7.810 12.376 1.00 0.00 O ATOM 103 OE2 GLU A 33 1.080 -6.769 14.164 1.00 0.00 O ATOM 0 H GLU A 33 3.664 -4.306 11.323 1.00 0.00 H new ATOM 0 HA GLU A 33 4.724 -6.835 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.866 -7.912 11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.961 -7.098 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.456 -5.266 12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.532 -5.634 11.302 1.00 0.00 H new ATOM 110 N ALA A 34 2.929 -6.936 8.304 1.00 0.00 N ATOM 111 CA ALA A 34 2.010 -6.809 7.133 1.00 0.00 C ATOM 112 C ALA A 34 0.941 -7.900 7.113 1.00 0.00 C ATOM 113 O ALA A 34 1.249 -9.095 7.038 1.00 0.00 O ATOM 114 CB ALA A 34 2.891 -6.946 5.904 1.00 0.00 C ATOM 0 H ALA A 34 3.535 -7.757 8.288 1.00 0.00 H new ATOM 0 HA ALA A 34 1.480 -5.858 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.279 -6.862 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.643 -6.157 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.385 -7.918 5.917 1.00 0.00 H new ATOM 120 N VAL A 35 -0.306 -7.461 7.115 1.00 0.00 N ATOM 121 CA VAL A 35 -1.485 -8.378 7.036 1.00 0.00 C ATOM 122 C VAL A 35 -2.296 -7.958 5.797 1.00 0.00 C ATOM 123 O VAL A 35 -2.486 -6.776 5.564 1.00 0.00 O ATOM 124 CB VAL A 35 -2.272 -8.143 8.329 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.564 -8.964 8.324 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.424 -8.553 9.529 1.00 0.00 C ATOM 0 H VAL A 35 -0.554 -6.473 7.170 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.229 -9.433 6.943 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.521 -7.084 8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.112 -8.786 9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.180 -8.668 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.321 -10.024 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.987 -8.384 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.168 -9.609 9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.511 -7.958 9.549 1.00 0.00 H new ATOM 136 N LEU A 36 -2.717 -8.894 4.974 1.00 0.00 N ATOM 137 CA LEU A 36 -3.449 -8.523 3.713 1.00 0.00 C ATOM 138 C LEU A 36 -4.808 -9.236 3.535 1.00 0.00 C ATOM 139 O LEU A 36 -4.905 -10.447 3.532 1.00 0.00 O ATOM 140 CB LEU A 36 -2.486 -8.911 2.565 1.00 0.00 C ATOM 141 CG LEU A 36 -2.101 -7.672 1.745 1.00 0.00 C ATOM 142 CD1 LEU A 36 -1.100 -8.070 0.659 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.352 -7.076 1.087 1.00 0.00 C ATOM 0 H LEU A 36 -2.587 -9.895 5.119 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.702 -7.463 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.590 -9.376 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.960 -9.649 1.918 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.651 -6.931 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.826 -7.190 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.208 -8.490 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.552 -8.814 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.074 -6.197 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.805 -7.817 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.067 -6.790 1.858 1.00 0.00 H new ATOM 155 N ASN A 37 -5.849 -8.445 3.317 1.00 0.00 N ATOM 156 CA ASN A 37 -7.270 -8.935 3.045 1.00 0.00 C ATOM 157 C ASN A 37 -7.994 -9.512 4.273 1.00 0.00 C ATOM 158 O ASN A 37 -9.042 -10.099 4.121 1.00 0.00 O ATOM 159 CB ASN A 37 -7.157 -10.030 1.950 1.00 0.00 C ATOM 160 CG ASN A 37 -8.455 -10.133 1.144 1.00 0.00 C ATOM 161 OD1 ASN A 37 -9.515 -10.347 1.695 1.00 0.00 O ATOM 162 ND2 ASN A 37 -8.409 -10.002 -0.153 1.00 0.00 N ATOM 0 H ASN A 37 -5.772 -7.428 3.316 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.870 -8.078 2.739 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.327 -9.798 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.934 -10.991 2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.264 -10.079 -0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.518 -9.822 -0.616 1.00 0.00 H new ATOM 169 N GLY A 38 -7.515 -9.273 5.473 1.00 0.00 N ATOM 170 CA GLY A 38 -8.236 -9.771 6.695 1.00 0.00 C ATOM 171 C GLY A 38 -7.554 -11.025 7.274 1.00 0.00 C ATOM 172 O GLY A 38 -7.870 -11.439 8.376 1.00 0.00 O ATOM 0 H GLY A 38 -6.657 -8.755 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.261 -8.986 7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.271 -10.001 6.441 1.00 0.00 H new ATOM 176 N LYS A 39 -6.624 -11.623 6.557 1.00 0.00 N ATOM 177 CA LYS A 39 -5.925 -12.836 7.075 1.00 0.00 C ATOM 178 C LYS A 39 -4.575 -12.417 7.650 1.00 0.00 C ATOM 179 O LYS A 39 -4.003 -11.432 7.217 1.00 0.00 O ATOM 180 CB LYS A 39 -5.736 -13.741 5.859 1.00 0.00 C ATOM 181 CG LYS A 39 -5.154 -15.085 6.305 1.00 0.00 C ATOM 182 CD LYS A 39 -4.894 -15.963 5.080 1.00 0.00 C ATOM 183 CE LYS A 39 -4.397 -17.337 5.534 1.00 0.00 C ATOM 184 NZ LYS A 39 -2.923 -17.180 5.685 1.00 0.00 N ATOM 0 H LYS A 39 -6.323 -11.316 5.632 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.480 -13.345 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.691 -13.896 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.070 -13.266 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.226 -14.927 6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.845 -15.585 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.808 -16.070 4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.154 -15.492 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.861 -17.634 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.639 -18.107 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.508 -18.082 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.508 -16.903 4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.723 -16.445 6.393 1.00 0.00 H new ATOM 198 N GLY A 40 -4.074 -13.137 8.630 1.00 0.00 N ATOM 199 CA GLY A 40 -2.771 -12.756 9.248 1.00 0.00 C ATOM 200 C GLY A 40 -1.652 -13.040 8.252 1.00 0.00 C ATOM 201 O GLY A 40 -1.408 -14.165 7.862 1.00 0.00 O ATOM 0 H GLY A 40 -4.514 -13.969 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.776 -11.700 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.610 -13.320 10.167 1.00 0.00 H new ATOM 205 N LEU A 41 -0.985 -11.999 7.835 1.00 0.00 N ATOM 206 CA LEU A 41 0.122 -12.128 6.854 1.00 0.00 C ATOM 207 C LEU A 41 1.477 -11.750 7.498 1.00 0.00 C ATOM 208 O LEU A 41 1.550 -11.263 8.608 1.00 0.00 O ATOM 209 CB LEU A 41 -0.253 -11.321 5.599 1.00 0.00 C ATOM 210 CG LEU A 41 0.461 -11.930 4.367 1.00 0.00 C ATOM 211 CD1 LEU A 41 -0.531 -12.076 3.212 1.00 0.00 C ATOM 212 CD2 LEU A 41 1.614 -11.019 3.927 1.00 0.00 C ATOM 0 H LEU A 41 -1.168 -11.044 8.142 1.00 0.00 H new ATOM 0 HA LEU A 41 0.259 -13.162 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.333 -11.336 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.037 -10.278 5.723 1.00 0.00 H new ATOM 0 HG LEU A 41 0.854 -12.910 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.023 -12.505 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.348 -12.731 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.930 -11.096 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.111 -11.454 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.222 -10.036 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.330 -10.918 4.743 1.00 0.00 H new ATOM 224 N GLY A 42 2.529 -12.079 6.819 1.00 0.00 N ATOM 225 CA GLY A 42 3.940 -11.903 7.303 1.00 0.00 C ATOM 226 C GLY A 42 4.216 -10.594 8.045 1.00 0.00 C ATOM 227 O GLY A 42 3.411 -9.689 8.103 1.00 0.00 O ATOM 0 H GLY A 42 2.474 -12.490 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.187 -12.735 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.611 -11.965 6.446 1.00 0.00 H new ATOM 231 N THR A 43 5.405 -10.514 8.599 1.00 0.00 N ATOM 232 CA THR A 43 5.848 -9.304 9.340 1.00 0.00 C ATOM 233 C THR A 43 7.194 -8.860 8.763 1.00 0.00 C ATOM 234 O THR A 43 7.962 -9.696 8.323 1.00 0.00 O ATOM 235 CB THR A 43 5.991 -9.744 10.799 1.00 0.00 C ATOM 236 OG1 THR A 43 4.750 -10.257 11.260 1.00 0.00 O ATOM 237 CG2 THR A 43 6.403 -8.548 11.657 1.00 0.00 C ATOM 0 H THR A 43 6.099 -11.261 8.563 1.00 0.00 H new ATOM 0 HA THR A 43 5.153 -8.468 9.260 1.00 0.00 H new ATOM 0 HB THR A 43 6.754 -10.519 10.872 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.840 -10.541 12.194 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.504 -8.863 12.696 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.356 -8.157 11.302 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.643 -7.770 11.586 1.00 0.00 H new ATOM 245 N GLY A 44 7.478 -7.570 8.717 1.00 0.00 N ATOM 246 CA GLY A 44 8.769 -7.115 8.115 1.00 0.00 C ATOM 247 C GLY A 44 8.969 -5.612 8.246 1.00 0.00 C ATOM 248 O GLY A 44 8.625 -4.997 9.240 1.00 0.00 O ATOM 0 H GLY A 44 6.874 -6.826 9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.596 -7.633 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.794 -7.392 7.061 1.00 0.00 H new ATOM 252 N THR A 45 9.562 -5.038 7.241 1.00 0.00 N ATOM 253 CA THR A 45 9.853 -3.572 7.250 1.00 0.00 C ATOM 254 C THR A 45 9.154 -2.868 6.086 1.00 0.00 C ATOM 255 O THR A 45 9.022 -3.419 5.010 1.00 0.00 O ATOM 256 CB THR A 45 11.371 -3.482 7.092 1.00 0.00 C ATOM 257 OG1 THR A 45 11.997 -4.242 8.117 1.00 0.00 O ATOM 258 CG2 THR A 45 11.813 -2.024 7.196 1.00 0.00 C ATOM 0 H THR A 45 9.864 -5.527 6.398 1.00 0.00 H new ATOM 0 HA THR A 45 9.496 -3.089 8.160 1.00 0.00 H new ATOM 0 HB THR A 45 11.658 -3.876 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.970 -4.187 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.895 -1.963 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.333 -1.441 6.410 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.527 -1.626 8.169 1.00 0.00 H new ATOM 266 N LEU A 46 8.716 -1.646 6.300 1.00 0.00 N ATOM 267 CA LEU A 46 8.034 -0.884 5.212 1.00 0.00 C ATOM 268 C LEU A 46 8.894 0.302 4.766 1.00 0.00 C ATOM 269 O LEU A 46 9.270 1.142 5.562 1.00 0.00 O ATOM 270 CB LEU A 46 6.723 -0.386 5.821 1.00 0.00 C ATOM 271 CG LEU A 46 5.900 0.322 4.742 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.409 0.206 5.069 1.00 0.00 C ATOM 273 CD2 LEU A 46 6.300 1.799 4.671 1.00 0.00 C ATOM 0 H LEU A 46 8.804 -1.147 7.185 1.00 0.00 H new ATOM 0 HA LEU A 46 7.865 -1.505 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.159 -1.223 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.928 0.297 6.645 1.00 0.00 H new ATOM 0 HG LEU A 46 6.094 -0.149 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.827 0.711 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.125 -0.846 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.211 0.670 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.712 2.299 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.114 2.273 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.359 1.878 4.426 1.00 0.00 H new ATOM 285 N TYR A 47 9.183 0.376 3.492 1.00 0.00 N ATOM 286 CA TYR A 47 9.997 1.511 2.954 1.00 0.00 C ATOM 287 C TYR A 47 9.106 2.380 2.065 1.00 0.00 C ATOM 288 O TYR A 47 8.490 1.887 1.135 1.00 0.00 O ATOM 289 CB TYR A 47 11.114 0.876 2.117 1.00 0.00 C ATOM 290 CG TYR A 47 11.930 -0.082 2.956 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.554 -1.427 3.032 1.00 0.00 C ATOM 292 CD2 TYR A 47 13.056 0.372 3.653 1.00 0.00 C ATOM 293 CE1 TYR A 47 12.303 -2.321 3.803 1.00 0.00 C ATOM 294 CE2 TYR A 47 13.805 -0.522 4.427 1.00 0.00 C ATOM 295 CZ TYR A 47 13.430 -1.870 4.502 1.00 0.00 C ATOM 296 OH TYR A 47 14.167 -2.753 5.264 1.00 0.00 O ATOM 0 H TYR A 47 8.888 -0.307 2.794 1.00 0.00 H new ATOM 0 HA TYR A 47 10.408 2.135 3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.683 0.347 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.760 1.655 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.684 -1.775 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.346 1.411 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.013 -3.360 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.673 -0.172 4.967 1.00 0.00 H new ATOM 0 HH TYR A 47 14.916 -2.279 5.682 1.00 0.00 H new ATOM 306 N ILE A 48 9.027 3.661 2.345 1.00 0.00 N ATOM 307 CA ILE A 48 8.161 4.564 1.520 1.00 0.00 C ATOM 308 C ILE A 48 9.013 5.330 0.502 1.00 0.00 C ATOM 309 O ILE A 48 9.947 6.024 0.859 1.00 0.00 O ATOM 310 CB ILE A 48 7.505 5.531 2.518 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.688 4.734 3.545 1.00 0.00 C ATOM 312 CG2 ILE A 48 6.570 6.491 1.777 1.00 0.00 C ATOM 313 CD1 ILE A 48 6.178 5.676 4.636 1.00 0.00 C ATOM 0 H ILE A 48 9.525 4.119 3.109 1.00 0.00 H new ATOM 0 HA ILE A 48 7.414 4.008 0.954 1.00 0.00 H new ATOM 0 HB ILE A 48 8.285 6.099 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.849 4.241 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.304 3.950 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.109 7.173 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.141 7.063 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.794 5.921 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.598 5.109 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.025 6.148 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.547 6.444 4.188 1.00 0.00 H new ATOM 325 N ALA A 49 8.678 5.211 -0.761 1.00 0.00 N ATOM 326 CA ALA A 49 9.441 5.931 -1.823 1.00 0.00 C ATOM 327 C ALA A 49 8.509 6.894 -2.561 1.00 0.00 C ATOM 328 O ALA A 49 7.383 6.556 -2.881 1.00 0.00 O ATOM 329 CB ALA A 49 9.950 4.839 -2.766 1.00 0.00 C ATOM 0 H ALA A 49 7.903 4.641 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 49 10.263 6.522 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.522 5.294 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.588 4.150 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.103 4.294 -3.183 1.00 0.00 H new ATOM 335 N GLU A 50 8.969 8.095 -2.825 1.00 0.00 N ATOM 336 CA GLU A 50 8.113 9.109 -3.536 1.00 0.00 C ATOM 337 C GLU A 50 7.587 8.554 -4.867 1.00 0.00 C ATOM 338 O GLU A 50 6.541 8.960 -5.344 1.00 0.00 O ATOM 339 CB GLU A 50 9.029 10.309 -3.791 1.00 0.00 C ATOM 340 CG GLU A 50 8.218 11.450 -4.410 1.00 0.00 C ATOM 341 CD GLU A 50 9.153 12.608 -4.771 1.00 0.00 C ATOM 342 OE1 GLU A 50 10.279 12.339 -5.152 1.00 0.00 O ATOM 343 OE2 GLU A 50 8.723 13.744 -4.660 1.00 0.00 O ATOM 0 H GLU A 50 9.904 8.421 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 50 7.239 9.375 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.484 10.638 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.842 10.024 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.698 11.098 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.456 11.790 -3.709 1.00 0.00 H new ATOM 350 N SER A 51 8.309 7.633 -5.462 1.00 0.00 N ATOM 351 CA SER A 51 7.869 7.046 -6.763 1.00 0.00 C ATOM 352 C SER A 51 7.010 5.794 -6.539 1.00 0.00 C ATOM 353 O SER A 51 6.234 5.413 -7.398 1.00 0.00 O ATOM 354 CB SER A 51 9.163 6.681 -7.487 1.00 0.00 C ATOM 355 OG SER A 51 9.770 5.574 -6.838 1.00 0.00 O ATOM 0 H SER A 51 9.187 7.263 -5.099 1.00 0.00 H new ATOM 0 HA SER A 51 7.256 7.743 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.953 6.436 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.843 7.533 -7.490 1.00 0.00 H new ATOM 0 HG SER A 51 10.600 5.337 -7.302 1.00 0.00 H new ATOM 361 N ARG A 52 7.147 5.146 -5.399 1.00 0.00 N ATOM 362 CA ARG A 52 6.344 3.908 -5.120 1.00 0.00 C ATOM 363 C ARG A 52 6.559 3.463 -3.674 1.00 0.00 C ATOM 364 O ARG A 52 7.321 4.066 -2.939 1.00 0.00 O ATOM 365 CB ARG A 52 6.884 2.845 -6.089 1.00 0.00 C ATOM 366 CG ARG A 52 5.725 2.017 -6.648 1.00 0.00 C ATOM 367 CD ARG A 52 6.258 0.678 -7.164 1.00 0.00 C ATOM 368 NE ARG A 52 5.473 0.403 -8.398 1.00 0.00 N ATOM 369 CZ ARG A 52 6.063 -0.099 -9.449 1.00 0.00 C ATOM 370 NH1 ARG A 52 6.610 0.693 -10.331 1.00 0.00 N ATOM 371 NH2 ARG A 52 6.105 -1.392 -9.618 1.00 0.00 N ATOM 0 H ARG A 52 7.782 5.423 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 52 5.275 4.073 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.427 3.324 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.592 2.196 -5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.977 1.849 -5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.232 2.560 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.325 0.734 -7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.123 -0.112 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 52 4.474 0.607 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.576 1.704 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.071 0.301 -11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.677 -2.011 -8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.566 -1.784 -10.439 1.00 0.00 H new ATOM 385 N LEU A 53 5.899 2.402 -3.273 1.00 0.00 N ATOM 386 CA LEU A 53 6.060 1.893 -1.878 1.00 0.00 C ATOM 387 C LEU A 53 6.799 0.554 -1.911 1.00 0.00 C ATOM 388 O LEU A 53 6.442 -0.332 -2.663 1.00 0.00 O ATOM 389 CB LEU A 53 4.633 1.714 -1.351 1.00 0.00 C ATOM 390 CG LEU A 53 4.551 2.212 0.094 1.00 0.00 C ATOM 391 CD1 LEU A 53 3.176 2.834 0.346 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.759 1.035 1.055 1.00 0.00 C ATOM 0 H LEU A 53 5.255 1.867 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 53 6.636 2.568 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.932 2.266 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.346 0.664 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 53 5.325 2.961 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.120 3.188 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.026 3.672 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.402 2.086 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.700 1.391 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.986 0.286 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.739 0.591 0.880 1.00 0.00 H new ATOM 404 N SER A 54 7.827 0.406 -1.105 1.00 0.00 N ATOM 405 CA SER A 54 8.598 -0.875 -1.088 1.00 0.00 C ATOM 406 C SER A 54 8.485 -1.540 0.285 1.00 0.00 C ATOM 407 O SER A 54 8.836 -0.956 1.291 1.00 0.00 O ATOM 408 CB SER A 54 10.045 -0.479 -1.379 1.00 0.00 C ATOM 409 OG SER A 54 10.878 -1.624 -1.272 1.00 0.00 O ATOM 0 H SER A 54 8.163 1.120 -0.459 1.00 0.00 H new ATOM 0 HA SER A 54 8.222 -1.591 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.123 -0.051 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.372 0.289 -0.678 1.00 0.00 H new ATOM 0 HG SER A 54 11.806 -1.372 -1.460 1.00 0.00 H new ATOM 415 N TRP A 55 7.992 -2.755 0.322 1.00 0.00 N ATOM 416 CA TRP A 55 7.841 -3.477 1.622 1.00 0.00 C ATOM 417 C TRP A 55 8.695 -4.741 1.635 1.00 0.00 C ATOM 418 O TRP A 55 8.847 -5.404 0.623 1.00 0.00 O ATOM 419 CB TRP A 55 6.358 -3.834 1.709 1.00 0.00 C ATOM 420 CG TRP A 55 5.895 -3.733 3.128 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.307 -2.649 3.674 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.955 -4.737 4.180 1.00 0.00 C ATOM 423 NE1 TRP A 55 5.016 -2.918 4.998 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.384 -4.191 5.352 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.440 -6.052 4.234 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.294 -4.920 6.531 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.344 -6.793 5.419 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.769 -6.226 6.562 1.00 0.00 C ATOM 0 H TRP A 55 7.686 -3.279 -0.498 1.00 0.00 H new ATOM 0 HA TRP A 55 8.166 -2.869 2.466 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.775 -3.163 1.078 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.195 -4.845 1.335 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.098 -1.722 3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.580 -2.251 5.635 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.890 -6.495 3.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.859 -4.477 7.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.715 -7.807 5.451 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.694 -6.805 7.471 1.00 0.00 H new ATOM 439 N LEU A 56 9.252 -5.072 2.775 1.00 0.00 N ATOM 440 CA LEU A 56 10.107 -6.290 2.875 1.00 0.00 C ATOM 441 C LEU A 56 9.438 -7.346 3.764 1.00 0.00 C ATOM 442 O LEU A 56 9.020 -7.056 4.871 1.00 0.00 O ATOM 443 CB LEU A 56 11.431 -5.776 3.477 1.00 0.00 C ATOM 444 CG LEU A 56 12.482 -6.898 3.725 1.00 0.00 C ATOM 445 CD1 LEU A 56 12.131 -7.657 4.995 1.00 0.00 C ATOM 446 CD2 LEU A 56 12.570 -7.898 2.553 1.00 0.00 C ATOM 0 H LEU A 56 9.149 -4.546 3.643 1.00 0.00 H new ATOM 0 HA LEU A 56 10.268 -6.781 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.859 -5.030 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.220 -5.273 4.421 1.00 0.00 H new ATOM 0 HG LEU A 56 13.452 -6.410 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.868 -8.441 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.130 -6.970 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.143 -8.105 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.318 -8.658 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.600 -8.374 2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.854 -7.369 1.644 1.00 0.00 H new ATOM 458 N ASP A 57 9.345 -8.568 3.281 1.00 0.00 N ATOM 459 CA ASP A 57 8.710 -9.664 4.081 1.00 0.00 C ATOM 460 C ASP A 57 9.722 -10.311 5.039 1.00 0.00 C ATOM 461 O ASP A 57 10.854 -10.606 4.679 1.00 0.00 O ATOM 462 CB ASP A 57 8.220 -10.687 3.052 1.00 0.00 C ATOM 463 CG ASP A 57 7.102 -11.532 3.664 1.00 0.00 C ATOM 464 OD1 ASP A 57 5.953 -11.141 3.537 1.00 0.00 O ATOM 465 OD2 ASP A 57 7.414 -12.556 4.248 1.00 0.00 O ATOM 0 H ASP A 57 9.685 -8.851 2.362 1.00 0.00 H new ATOM 0 HA ASP A 57 7.898 -9.283 4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.857 -10.176 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.045 -11.328 2.739 1.00 0.00 H new ATOM 470 N GLY A 58 9.287 -10.539 6.259 1.00 0.00 N ATOM 471 CA GLY A 58 10.149 -11.151 7.325 1.00 0.00 C ATOM 472 C GLY A 58 10.685 -12.539 6.946 1.00 0.00 C ATOM 473 O GLY A 58 11.569 -13.048 7.617 1.00 0.00 O ATOM 0 H GLY A 58 8.340 -10.319 6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.989 -10.487 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.574 -11.230 8.247 1.00 0.00 H new ATOM 477 N SER A 59 10.179 -13.157 5.898 1.00 0.00 N ATOM 478 CA SER A 59 10.682 -14.514 5.503 1.00 0.00 C ATOM 479 C SER A 59 11.921 -14.409 4.592 1.00 0.00 C ATOM 480 O SER A 59 12.284 -15.371 3.937 1.00 0.00 O ATOM 481 CB SER A 59 9.523 -15.159 4.749 1.00 0.00 C ATOM 482 OG SER A 59 9.907 -16.458 4.319 1.00 0.00 O ATOM 0 H SER A 59 9.442 -12.780 5.303 1.00 0.00 H new ATOM 0 HA SER A 59 10.990 -15.095 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.645 -15.221 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.247 -14.546 3.891 1.00 0.00 H new ATOM 0 HG SER A 59 10.828 -16.433 3.985 1.00 0.00 H new ATOM 488 N GLY A 60 12.566 -13.256 4.535 1.00 0.00 N ATOM 489 CA GLY A 60 13.765 -13.097 3.666 1.00 0.00 C ATOM 490 C GLY A 60 13.344 -12.800 2.235 1.00 0.00 C ATOM 491 O GLY A 60 14.082 -13.069 1.301 1.00 0.00 O ATOM 0 H GLY A 60 12.303 -12.422 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.391 -12.289 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.366 -14.006 3.694 1.00 0.00 H new ATOM 495 N LEU A 61 12.170 -12.248 2.060 1.00 0.00 N ATOM 496 CA LEU A 61 11.687 -11.928 0.689 1.00 0.00 C ATOM 497 C LEU A 61 11.208 -10.488 0.651 1.00 0.00 C ATOM 498 O LEU A 61 10.322 -10.106 1.394 1.00 0.00 O ATOM 499 CB LEU A 61 10.521 -12.885 0.442 1.00 0.00 C ATOM 500 CG LEU A 61 11.038 -14.175 -0.196 1.00 0.00 C ATOM 501 CD1 LEU A 61 11.730 -15.034 0.867 1.00 0.00 C ATOM 502 CD2 LEU A 61 9.861 -14.951 -0.793 1.00 0.00 C ATOM 0 H LEU A 61 11.525 -12.006 2.812 1.00 0.00 H new ATOM 0 HA LEU A 61 12.464 -12.039 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.017 -13.110 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.785 -12.415 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 61 11.752 -13.931 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.097 -15.953 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.567 -14.481 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.019 -15.280 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.226 -15.871 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.148 -15.194 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.370 -14.341 -1.551 1.00 0.00 H new ATOM 514 N GLY A 62 11.786 -9.694 -0.209 1.00 0.00 N ATOM 515 CA GLY A 62 11.375 -8.272 -0.310 1.00 0.00 C ATOM 516 C GLY A 62 10.475 -8.090 -1.522 1.00 0.00 C ATOM 517 O GLY A 62 10.632 -8.772 -2.518 1.00 0.00 O ATOM 0 H GLY A 62 12.530 -9.975 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.849 -7.969 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.254 -7.633 -0.397 1.00 0.00 H new ATOM 521 N PHE A 63 9.538 -7.170 -1.446 1.00 0.00 N ATOM 522 CA PHE A 63 8.635 -6.932 -2.621 1.00 0.00 C ATOM 523 C PHE A 63 8.187 -5.470 -2.692 1.00 0.00 C ATOM 524 O PHE A 63 7.964 -4.824 -1.683 1.00 0.00 O ATOM 525 CB PHE A 63 7.462 -7.932 -2.489 1.00 0.00 C ATOM 526 CG PHE A 63 6.459 -7.534 -1.420 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.750 -7.740 -0.070 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.226 -6.990 -1.797 1.00 0.00 C ATOM 529 CE1 PHE A 63 5.806 -7.401 0.908 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.282 -6.646 -0.822 1.00 0.00 C ATOM 531 CZ PHE A 63 4.569 -6.852 0.531 1.00 0.00 C ATOM 0 H PHE A 63 9.361 -6.581 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 63 9.151 -7.105 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.950 -8.011 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.859 -8.920 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.702 -8.160 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.002 -6.835 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.029 -7.562 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.333 -6.222 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.841 -6.590 1.285 1.00 0.00 H new ATOM 541 N SER A 64 8.079 -4.951 -3.891 1.00 0.00 N ATOM 542 CA SER A 64 7.678 -3.531 -4.074 1.00 0.00 C ATOM 543 C SER A 64 6.173 -3.412 -4.324 1.00 0.00 C ATOM 544 O SER A 64 5.625 -4.064 -5.196 1.00 0.00 O ATOM 545 CB SER A 64 8.459 -3.058 -5.298 1.00 0.00 C ATOM 546 OG SER A 64 7.888 -3.627 -6.469 1.00 0.00 O ATOM 0 H SER A 64 8.255 -5.461 -4.757 1.00 0.00 H new ATOM 0 HA SER A 64 7.891 -2.933 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.436 -1.970 -5.360 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.506 -3.350 -5.211 1.00 0.00 H new ATOM 0 HG SER A 64 7.083 -4.132 -6.228 1.00 0.00 H new ATOM 552 N LEU A 65 5.514 -2.571 -3.570 1.00 0.00 N ATOM 553 CA LEU A 65 4.045 -2.371 -3.746 1.00 0.00 C ATOM 554 C LEU A 65 3.780 -1.070 -4.510 1.00 0.00 C ATOM 555 O LEU A 65 4.249 -0.008 -4.129 1.00 0.00 O ATOM 556 CB LEU A 65 3.483 -2.283 -2.326 1.00 0.00 C ATOM 557 CG LEU A 65 3.367 -3.688 -1.735 1.00 0.00 C ATOM 558 CD1 LEU A 65 3.191 -3.592 -0.219 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.155 -4.394 -2.345 1.00 0.00 C ATOM 0 H LEU A 65 5.936 -2.008 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 65 3.583 -3.177 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.133 -1.668 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.505 -1.801 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 65 4.271 -4.254 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.108 -4.594 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.053 -3.086 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.286 -3.028 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.069 -5.397 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.252 -3.827 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.279 -4.462 -3.426 1.00 0.00 H new ATOM 654 N SER A 71 -8.316 3.243 0.828 1.00 0.00 N ATOM 655 CA SER A 71 -9.815 3.204 0.882 1.00 0.00 C ATOM 656 C SER A 71 -10.299 3.568 2.295 1.00 0.00 C ATOM 657 O SER A 71 -10.564 4.726 2.571 1.00 0.00 O ATOM 658 CB SER A 71 -10.196 1.775 0.485 1.00 0.00 C ATOM 659 OG SER A 71 -11.545 1.528 0.859 1.00 0.00 O ATOM 0 HA SER A 71 -10.283 3.925 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.074 1.639 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.534 1.060 0.974 1.00 0.00 H new ATOM 0 HG SER A 71 -11.565 0.923 1.630 1.00 0.00 H new ATOM 665 N LEU A 72 -10.399 2.608 3.193 1.00 0.00 N ATOM 666 CA LEU A 72 -10.843 2.913 4.583 1.00 0.00 C ATOM 667 C LEU A 72 -9.651 2.687 5.512 1.00 0.00 C ATOM 668 O LEU A 72 -9.389 1.568 5.862 1.00 0.00 O ATOM 669 CB LEU A 72 -12.033 1.919 4.841 1.00 0.00 C ATOM 670 CG LEU A 72 -12.158 1.427 6.322 1.00 0.00 C ATOM 671 CD1 LEU A 72 -12.051 2.602 7.301 1.00 0.00 C ATOM 672 CD2 LEU A 72 -13.501 0.730 6.529 1.00 0.00 C ATOM 0 H LEU A 72 -10.190 1.626 3.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.177 3.937 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.965 2.405 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.912 1.052 4.192 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.343 0.730 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.141 2.234 8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.086 3.093 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.850 3.316 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.580 0.391 7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.310 1.428 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.573 -0.127 5.859 1.00 0.00 H new ATOM 684 N HIS A 73 -8.971 3.734 5.931 1.00 0.00 N ATOM 685 CA HIS A 73 -7.810 3.556 6.845 1.00 0.00 C ATOM 686 C HIS A 73 -8.207 3.974 8.262 1.00 0.00 C ATOM 687 O HIS A 73 -8.563 5.104 8.533 1.00 0.00 O ATOM 688 CB HIS A 73 -6.699 4.459 6.285 1.00 0.00 C ATOM 689 CG HIS A 73 -7.150 5.899 6.235 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.812 6.431 5.138 1.00 0.00 N ATOM 691 CD2 HIS A 73 -7.031 6.929 7.135 1.00 0.00 C ATOM 692 CE1 HIS A 73 -8.065 7.723 5.406 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.609 8.080 6.610 1.00 0.00 N ATOM 0 H HIS A 73 -9.176 4.700 5.675 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.475 2.520 6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.808 4.374 6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.423 4.125 5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.560 6.856 8.104 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.576 8.392 4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.671 8.998 7.049 1.00 0.00 H new ATOM 701 N ALA A 74 -8.172 3.017 9.154 1.00 0.00 N ATOM 702 CA ALA A 74 -8.568 3.252 10.564 1.00 0.00 C ATOM 703 C ALA A 74 -7.327 3.367 11.454 1.00 0.00 C ATOM 704 O ALA A 74 -6.399 2.581 11.347 1.00 0.00 O ATOM 705 CB ALA A 74 -9.391 2.006 10.927 1.00 0.00 C ATOM 0 H ALA A 74 -7.877 2.061 8.953 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.128 4.177 10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.733 2.084 11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.253 1.933 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.772 1.116 10.816 1.00 0.00 H new ATOM 711 N VAL A 75 -7.312 4.343 12.328 1.00 0.00 N ATOM 712 CA VAL A 75 -6.145 4.538 13.241 1.00 0.00 C ATOM 713 C VAL A 75 -6.568 4.255 14.689 1.00 0.00 C ATOM 714 O VAL A 75 -5.782 3.772 15.487 1.00 0.00 O ATOM 715 CB VAL A 75 -5.744 6.011 13.064 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.556 6.344 13.971 1.00 0.00 C ATOM 717 CG2 VAL A 75 -5.345 6.265 11.607 1.00 0.00 C ATOM 0 H VAL A 75 -8.066 5.019 12.448 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.316 3.867 13.015 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.593 6.641 13.331 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.279 7.390 13.839 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.832 6.171 15.011 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.710 5.709 13.710 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.061 7.310 11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.501 5.627 11.344 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.188 6.039 10.954 1.00 0.00 H new ATOM 876 N GLU A 85 -0.139 1.710 18.649 1.00 0.00 N ATOM 877 CA GLU A 85 -0.510 2.404 17.364 1.00 0.00 C ATOM 878 C GLU A 85 -0.627 1.381 16.226 1.00 0.00 C ATOM 879 O GLU A 85 0.020 0.348 16.251 1.00 0.00 O ATOM 880 CB GLU A 85 0.627 3.391 17.090 1.00 0.00 C ATOM 881 CG GLU A 85 0.701 4.408 18.232 1.00 0.00 C ATOM 882 CD GLU A 85 2.145 4.888 18.397 1.00 0.00 C ATOM 883 OE1 GLU A 85 2.997 4.059 18.667 1.00 0.00 O ATOM 884 OE2 GLU A 85 2.373 6.077 18.248 1.00 0.00 O ATOM 0 HA GLU A 85 -1.472 2.912 17.435 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.573 2.858 17.001 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.459 3.903 16.142 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.047 5.254 18.022 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.349 3.956 19.159 1.00 0.00 H new ATOM 891 N HIS A 86 -1.464 1.652 15.248 1.00 0.00 N ATOM 892 CA HIS A 86 -1.647 0.681 14.119 1.00 0.00 C ATOM 893 C HIS A 86 -2.253 1.361 12.887 1.00 0.00 C ATOM 894 O HIS A 86 -3.104 2.226 13.017 1.00 0.00 O ATOM 895 CB HIS A 86 -2.622 -0.375 14.675 1.00 0.00 C ATOM 896 CG HIS A 86 -3.929 0.258 15.097 1.00 0.00 C ATOM 897 ND1 HIS A 86 -4.139 0.731 16.383 1.00 0.00 N ATOM 898 CD2 HIS A 86 -5.096 0.496 14.414 1.00 0.00 C ATOM 899 CE1 HIS A 86 -5.389 1.225 16.433 1.00 0.00 C ATOM 900 NE2 HIS A 86 -6.016 1.108 15.260 1.00 0.00 N ATOM 0 H HIS A 86 -2.026 2.501 15.184 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.697 0.256 13.795 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.811 -1.135 13.917 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.168 -0.881 15.527 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.273 0.246 13.378 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.832 1.663 17.315 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.965 1.404 15.033 1.00 0.00 H new ATOM 908 N LEU A 87 -1.851 0.951 11.692 1.00 0.00 N ATOM 909 CA LEU A 87 -2.450 1.553 10.463 1.00 0.00 C ATOM 910 C LEU A 87 -3.257 0.476 9.742 1.00 0.00 C ATOM 911 O LEU A 87 -2.722 -0.341 9.016 1.00 0.00 O ATOM 912 CB LEU A 87 -1.265 2.024 9.613 1.00 0.00 C ATOM 913 CG LEU A 87 -1.776 2.627 8.280 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.116 3.986 8.031 1.00 0.00 C ATOM 915 CD2 LEU A 87 -1.439 1.684 7.119 1.00 0.00 C ATOM 0 H LEU A 87 -1.143 0.235 11.527 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.121 2.385 10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.687 2.768 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.597 1.187 9.411 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.856 2.755 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.482 4.401 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.361 4.665 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.035 3.861 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.801 2.113 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.359 1.549 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.917 0.719 7.284 1.00 0.00 H new ATOM 927 N TYR A 88 -4.544 0.476 9.944 1.00 0.00 N ATOM 928 CA TYR A 88 -5.408 -0.551 9.298 1.00 0.00 C ATOM 929 C TYR A 88 -6.086 0.040 8.085 1.00 0.00 C ATOM 930 O TYR A 88 -6.839 0.977 8.266 1.00 0.00 O ATOM 931 CB TYR A 88 -6.479 -0.814 10.362 1.00 0.00 C ATOM 932 CG TYR A 88 -6.986 -2.219 10.267 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.352 -3.196 11.002 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.094 -2.539 9.471 1.00 0.00 C ATOM 935 CE1 TYR A 88 -6.798 -4.506 10.969 1.00 0.00 C ATOM 936 CE2 TYR A 88 -8.554 -3.857 9.424 1.00 0.00 C ATOM 937 CZ TYR A 88 -7.904 -4.848 10.179 1.00 0.00 C ATOM 938 OH TYR A 88 -8.352 -6.153 10.143 1.00 0.00 O ATOM 0 H TYR A 88 -5.038 1.147 10.532 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.855 -1.436 8.982 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.064 -0.638 11.354 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.305 -0.115 10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.498 -2.937 11.610 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.590 -1.770 8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.294 -5.264 11.551 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.405 -4.113 8.810 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.128 -6.216 9.547 1.00 0.00 H new ATOM 948 N VAL A 89 -5.901 -0.490 6.868 1.00 0.00 N ATOM 949 CA VAL A 89 -6.661 0.118 5.714 1.00 0.00 C ATOM 950 C VAL A 89 -7.393 -0.941 4.890 1.00 0.00 C ATOM 951 O VAL A 89 -6.824 -1.882 4.390 1.00 0.00 O ATOM 952 CB VAL A 89 -5.708 1.033 4.904 1.00 0.00 C ATOM 953 CG1 VAL A 89 -4.892 1.924 5.856 1.00 0.00 C ATOM 954 CG2 VAL A 89 -4.702 0.250 4.101 1.00 0.00 C ATOM 0 H VAL A 89 -5.289 -1.274 6.643 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.465 0.753 6.088 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.346 1.614 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.226 2.562 5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.569 2.545 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.302 1.297 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.059 0.938 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.094 -0.357 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.224 -0.398 3.397 1.00 0.00 H new ATOM 964 N MET A 90 -8.689 -0.797 4.795 1.00 0.00 N ATOM 965 CA MET A 90 -9.521 -1.801 4.071 1.00 0.00 C ATOM 966 C MET A 90 -10.021 -1.255 2.735 1.00 0.00 C ATOM 967 O MET A 90 -10.512 -0.144 2.649 1.00 0.00 O ATOM 968 CB MET A 90 -10.669 -2.077 5.041 1.00 0.00 C ATOM 969 CG MET A 90 -10.118 -2.804 6.281 1.00 0.00 C ATOM 970 SD MET A 90 -11.497 -3.354 7.314 1.00 0.00 S ATOM 971 CE MET A 90 -11.898 -1.744 8.037 1.00 0.00 C ATOM 0 H MET A 90 -9.212 -0.017 5.193 1.00 0.00 H new ATOM 0 HA MET A 90 -8.968 -2.703 3.810 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.146 -1.142 5.335 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.432 -2.686 4.557 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.513 -3.658 5.977 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.467 -2.138 6.848 1.00 0.00 H new ATOM 0 HE1 MET A 90 -11.659 -1.753 9.100 1.00 0.00 H new ATOM 0 HE2 MET A 90 -11.316 -0.967 7.541 1.00 0.00 H new ATOM 0 HE3 MET A 90 -12.961 -1.541 7.906 1.00 0.00 H new ATOM 981 N VAL A 91 -9.888 -2.043 1.693 1.00 0.00 N ATOM 982 CA VAL A 91 -10.339 -1.598 0.341 1.00 0.00 C ATOM 983 C VAL A 91 -11.272 -2.647 -0.282 1.00 0.00 C ATOM 984 O VAL A 91 -11.161 -3.834 -0.011 1.00 0.00 O ATOM 985 CB VAL A 91 -9.045 -1.439 -0.477 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.296 -2.776 -0.552 1.00 0.00 C ATOM 987 CG2 VAL A 91 -9.388 -0.970 -1.894 1.00 0.00 C ATOM 0 H VAL A 91 -9.484 -2.979 1.725 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.906 -0.668 0.374 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.409 -0.701 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.383 -2.649 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.042 -3.108 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.930 -3.522 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.471 -0.858 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.032 -1.706 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.905 -0.012 -1.845 1.00 0.00 H new ATOM 997 N ASN A 92 -12.185 -2.206 -1.111 1.00 0.00 N ATOM 998 CA ASN A 92 -13.139 -3.151 -1.767 1.00 0.00 C ATOM 999 C ASN A 92 -12.717 -3.403 -3.217 1.00 0.00 C ATOM 1000 O ASN A 92 -12.457 -2.478 -3.965 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.498 -2.446 -1.721 1.00 0.00 C ATOM 1002 CG ASN A 92 -14.903 -2.182 -0.265 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -14.388 -2.801 0.647 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -15.811 -1.281 -0.008 1.00 0.00 N ATOM 0 H ASN A 92 -12.311 -1.226 -1.363 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.167 -4.120 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.448 -1.505 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.253 -3.061 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.088 -1.097 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.244 -0.761 -0.771 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.649 -4.654 -3.613 1.00 0.00 N ATOM 1012 CA ALA A 93 -12.247 -4.990 -5.013 1.00 0.00 C ATOM 1013 C ALA A 93 -13.453 -5.511 -5.798 1.00 0.00 C ATOM 1014 O ALA A 93 -14.303 -6.196 -5.256 1.00 0.00 O ATOM 1015 CB ALA A 93 -11.188 -6.085 -4.867 1.00 0.00 C ATOM 0 H ALA A 93 -12.856 -5.459 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.867 -4.124 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.840 -6.388 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.348 -5.703 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.621 -6.944 -4.355 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.523 -10.681 -1.396 1.00 0.00 N ATOM 1321 CA PRO A 115 -16.011 -9.442 -2.057 1.00 0.00 C ATOM 1322 C PRO A 115 -15.180 -8.241 -1.601 1.00 0.00 C ATOM 1323 O PRO A 115 -14.906 -7.337 -2.370 1.00 0.00 O ATOM 1324 CB PRO A 115 -17.457 -9.319 -1.582 1.00 0.00 C ATOM 1325 CG PRO A 115 -17.503 -10.066 -0.288 1.00 0.00 C ATOM 1326 CD PRO A 115 -16.484 -11.169 -0.385 1.00 0.00 C ATOM 0 HA PRO A 115 -15.933 -9.475 -3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.740 -8.275 -1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -18.149 -9.745 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -17.278 -9.404 0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -18.498 -10.474 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -15.998 -11.348 0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -16.942 -12.110 -0.691 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.776 -8.234 -0.353 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.953 -7.103 0.181 1.00 0.00 C ATOM 1336 C ILE A 116 -12.649 -7.642 0.764 1.00 0.00 C ATOM 1337 O ILE A 116 -12.595 -8.758 1.254 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.801 -6.450 1.282 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -16.156 -5.990 0.713 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -14.057 -5.241 1.863 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -15.964 -4.983 -0.430 1.00 0.00 C ATOM 0 H ILE A 116 -14.983 -8.969 0.323 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.693 -6.386 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 116 -14.976 -7.185 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -16.714 -6.854 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.751 -5.536 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.663 -4.782 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.107 -5.567 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.871 -4.514 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -16.938 -4.676 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -15.428 -4.109 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -15.390 -5.448 -1.232 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.605 -6.853 0.715 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.292 -7.297 1.268 1.00 0.00 C ATOM 1355 C ALA A 117 -9.801 -6.296 2.307 1.00 0.00 C ATOM 1356 O ALA A 117 -9.671 -5.116 2.012 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.348 -7.326 0.065 1.00 0.00 C ATOM 0 H ALA A 117 -11.607 -5.915 0.313 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.354 -8.267 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.357 -7.644 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.729 -8.025 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.285 -6.329 -0.372 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.519 -6.751 3.513 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.024 -5.801 4.559 1.00 0.00 C ATOM 1365 C GLU A 118 -7.499 -5.848 4.617 1.00 0.00 C ATOM 1366 O GLU A 118 -6.921 -6.826 5.038 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.629 -6.263 5.891 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.159 -6.284 5.792 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.624 -7.626 5.220 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -10.965 -8.622 5.476 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.634 -7.636 4.537 1.00 0.00 O ATOM 0 H GLU A 118 -9.610 -7.723 3.810 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.315 -4.774 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.259 -7.257 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.317 -5.594 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.598 -6.126 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.503 -5.468 5.156 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.845 -4.788 4.217 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.355 -4.761 4.267 1.00 0.00 C ATOM 1380 C PHE A 119 -4.978 -4.158 5.626 1.00 0.00 C ATOM 1381 O PHE A 119 -5.455 -3.101 5.998 1.00 0.00 O ATOM 1382 CB PHE A 119 -4.981 -3.905 3.024 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.577 -3.317 3.065 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.242 -2.350 4.010 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.630 -3.707 2.108 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -1.975 -1.770 4.011 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.352 -3.126 2.110 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.030 -2.154 3.065 1.00 0.00 C ATOM 0 H PHE A 119 -7.281 -3.939 3.857 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.827 -5.713 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.077 -4.522 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.700 -3.091 2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.970 -2.047 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.883 -4.454 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.726 -1.021 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.619 -3.428 1.377 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.049 -1.703 3.067 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.164 -4.843 6.393 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.792 -4.314 7.740 1.00 0.00 C ATOM 1400 C ARG A 120 -2.273 -4.234 7.829 1.00 0.00 C ATOM 1401 O ARG A 120 -1.578 -5.225 7.709 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.432 -5.331 8.724 1.00 0.00 C ATOM 1403 CG ARG A 120 -3.821 -5.258 10.139 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.224 -6.502 10.932 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.028 -6.128 12.360 1.00 0.00 N ATOM 1406 CZ ARG A 120 -3.761 -7.049 13.245 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -2.668 -7.752 13.147 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.592 -7.269 14.229 1.00 0.00 N ATOM 0 H ARG A 120 -3.744 -5.739 6.146 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.146 -3.307 7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.504 -5.145 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.306 -6.340 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.735 -5.190 10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.167 -4.360 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.260 -6.778 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.609 -7.360 10.660 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.102 -5.152 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.020 -7.583 12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.461 -8.472 13.840 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.449 -6.721 14.305 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.384 -7.989 14.921 1.00 0.00 H new ATOM 1422 N PHE A 121 -1.763 -3.049 8.047 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.298 -2.871 8.170 1.00 0.00 C ATOM 1424 C PHE A 121 -0.070 -2.169 9.486 1.00 0.00 C ATOM 1425 O PHE A 121 -0.474 -1.035 9.694 1.00 0.00 O ATOM 1426 CB PHE A 121 0.148 -2.082 6.930 1.00 0.00 C ATOM 1427 CG PHE A 121 0.556 -3.074 5.840 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.387 -3.965 5.296 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.879 -3.127 5.392 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.015 -4.886 4.317 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.246 -4.056 4.399 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.297 -4.929 3.866 1.00 0.00 C ATOM 0 H PHE A 121 -2.310 -2.194 8.145 1.00 0.00 H new ATOM 0 HA PHE A 121 0.288 -3.790 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.662 -1.444 6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.984 -1.428 7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.410 -3.935 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.618 -2.457 5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.748 -5.566 3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.267 -4.093 4.048 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.583 -5.638 3.103 1.00 0.00 H new ATOM 1442 N VAL A 122 0.482 -2.894 10.420 1.00 0.00 N ATOM 1443 CA VAL A 122 0.614 -2.339 11.793 1.00 0.00 C ATOM 1444 C VAL A 122 2.087 -2.161 12.226 1.00 0.00 C ATOM 1445 O VAL A 122 2.818 -3.126 12.278 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.133 -3.374 12.679 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.262 -2.832 14.091 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.557 -3.692 12.137 1.00 0.00 C ATOM 0 H VAL A 122 0.844 -3.839 10.292 1.00 0.00 H new ATOM 0 HA VAL A 122 0.197 -1.335 11.872 1.00 0.00 H new ATOM 0 HB VAL A 122 0.451 -4.295 12.666 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.786 -3.558 14.713 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.731 -2.651 14.503 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.823 -1.898 14.072 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.040 -4.420 12.789 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.149 -2.777 12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.480 -4.102 11.130 1.00 0.00 H new ATOM 1458 N PRO A 123 2.493 -0.933 12.530 1.00 0.00 N ATOM 1459 CA PRO A 123 3.883 -0.687 12.951 1.00 0.00 C ATOM 1460 C PRO A 123 4.003 -0.704 14.478 1.00 0.00 C ATOM 1461 O PRO A 123 3.147 -0.197 15.180 1.00 0.00 O ATOM 1462 CB PRO A 123 4.155 0.716 12.419 1.00 0.00 C ATOM 1463 CG PRO A 123 2.809 1.384 12.316 1.00 0.00 C ATOM 1464 CD PRO A 123 1.740 0.328 12.503 1.00 0.00 C ATOM 0 HA PRO A 123 4.580 -1.440 12.583 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.815 1.267 13.089 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.648 0.677 11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.712 2.161 13.074 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.699 1.869 11.346 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.184 0.481 13.428 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.015 0.344 11.689 1.00 0.00 H new ATOM 1472 N SER A 124 5.070 -1.271 14.991 1.00 0.00 N ATOM 1473 CA SER A 124 5.282 -1.319 16.462 1.00 0.00 C ATOM 1474 C SER A 124 6.184 -0.157 16.905 1.00 0.00 C ATOM 1475 O SER A 124 6.872 -0.247 17.907 1.00 0.00 O ATOM 1476 CB SER A 124 5.973 -2.660 16.712 1.00 0.00 C ATOM 1477 OG SER A 124 6.932 -2.913 15.689 1.00 0.00 O ATOM 0 H SER A 124 5.809 -1.707 14.440 1.00 0.00 H new ATOM 0 HA SER A 124 4.350 -1.227 17.020 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.462 -2.650 17.686 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.234 -3.461 16.735 1.00 0.00 H new ATOM 0 HG SER A 124 7.231 -2.063 15.303 1.00 0.00 H new ATOM 1483 N ASP A 125 6.188 0.929 16.160 1.00 0.00 N ATOM 1484 CA ASP A 125 7.045 2.100 16.518 1.00 0.00 C ATOM 1485 C ASP A 125 6.243 3.394 16.458 1.00 0.00 C ATOM 1486 O ASP A 125 5.674 3.733 15.438 1.00 0.00 O ATOM 1487 CB ASP A 125 8.161 2.106 15.471 1.00 0.00 C ATOM 1488 CG ASP A 125 9.237 3.121 15.866 1.00 0.00 C ATOM 1489 OD1 ASP A 125 8.886 4.133 16.453 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.394 2.870 15.573 1.00 0.00 O ATOM 0 H ASP A 125 5.629 1.050 15.315 1.00 0.00 H new ATOM 0 HA ASP A 125 7.435 2.026 17.533 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.599 1.111 15.388 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.753 2.357 14.492 1.00 0.00 H new ATOM 1495 N LYS A 126 6.207 4.133 17.548 1.00 0.00 N ATOM 1496 CA LYS A 126 5.454 5.435 17.566 1.00 0.00 C ATOM 1497 C LYS A 126 6.021 6.362 16.481 1.00 0.00 C ATOM 1498 O LYS A 126 5.304 7.124 15.856 1.00 0.00 O ATOM 1499 CB LYS A 126 5.668 6.021 18.973 1.00 0.00 C ATOM 1500 CG LYS A 126 7.162 6.256 19.241 1.00 0.00 C ATOM 1501 CD LYS A 126 7.413 6.287 20.748 1.00 0.00 C ATOM 1502 CE LYS A 126 7.571 4.856 21.268 1.00 0.00 C ATOM 1503 NZ LYS A 126 8.308 4.995 22.554 1.00 0.00 N ATOM 0 H LYS A 126 6.667 3.890 18.426 1.00 0.00 H new ATOM 0 HA LYS A 126 4.391 5.310 17.360 1.00 0.00 H new ATOM 0 HB2 LYS A 126 5.124 6.961 19.068 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.262 5.341 19.721 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.753 5.465 18.780 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.479 7.196 18.790 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.310 6.866 20.966 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.584 6.780 21.256 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.602 4.381 21.418 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.124 4.237 20.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.455 4.055 22.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.229 5.444 22.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.755 5.583 23.209 1.00 0.00 H new ATOM 1517 N SER A 127 7.310 6.260 16.250 1.00 0.00 N ATOM 1518 CA SER A 127 7.955 7.089 15.191 1.00 0.00 C ATOM 1519 C SER A 127 7.447 6.626 13.826 1.00 0.00 C ATOM 1520 O SER A 127 7.328 7.417 12.903 1.00 0.00 O ATOM 1521 CB SER A 127 9.459 6.838 15.319 1.00 0.00 C ATOM 1522 OG SER A 127 10.159 7.712 14.445 1.00 0.00 O ATOM 0 H SER A 127 7.941 5.636 16.753 1.00 0.00 H new ATOM 0 HA SER A 127 7.729 8.150 15.294 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.780 7.001 16.348 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.688 5.801 15.074 1.00 0.00 H new ATOM 0 HG SER A 127 11.123 7.554 14.527 1.00 0.00 H new ATOM 1528 N ALA A 128 7.134 5.348 13.698 1.00 0.00 N ATOM 1529 CA ALA A 128 6.619 4.838 12.386 1.00 0.00 C ATOM 1530 C ALA A 128 5.196 5.349 12.155 1.00 0.00 C ATOM 1531 O ALA A 128 4.817 5.661 11.038 1.00 0.00 O ATOM 1532 CB ALA A 128 6.628 3.314 12.497 1.00 0.00 C ATOM 0 H ALA A 128 7.213 4.650 14.437 1.00 0.00 H new ATOM 0 HA ALA A 128 7.229 5.177 11.549 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.261 2.879 11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.645 2.969 12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.984 3.005 13.320 1.00 0.00 H new ATOM 1538 N LEU A 129 4.412 5.436 13.206 1.00 0.00 N ATOM 1539 CA LEU A 129 3.004 5.927 13.062 1.00 0.00 C ATOM 1540 C LEU A 129 2.994 7.411 12.691 1.00 0.00 C ATOM 1541 O LEU A 129 2.277 7.821 11.793 1.00 0.00 O ATOM 1542 CB LEU A 129 2.346 5.715 14.426 1.00 0.00 C ATOM 1543 CG LEU A 129 0.862 6.074 14.329 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.068 4.845 13.876 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.354 6.542 15.697 1.00 0.00 C ATOM 0 H LEU A 129 4.687 5.188 14.156 1.00 0.00 H new ATOM 0 HA LEU A 129 2.472 5.394 12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.462 4.678 14.742 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.834 6.334 15.179 1.00 0.00 H new ATOM 0 HG LEU A 129 0.730 6.877 13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.989 5.100 13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.427 4.519 12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.200 4.040 14.599 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.703 6.797 15.625 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.486 5.743 16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.918 7.419 16.014 1.00 0.00 H new ATOM 1557 N GLU A 130 3.785 8.216 13.372 1.00 0.00 N ATOM 1558 CA GLU A 130 3.819 9.679 13.052 1.00 0.00 C ATOM 1559 C GLU A 130 4.350 9.877 11.629 1.00 0.00 C ATOM 1560 O GLU A 130 3.922 10.772 10.917 1.00 0.00 O ATOM 1561 CB GLU A 130 4.739 10.321 14.100 1.00 0.00 C ATOM 1562 CG GLU A 130 6.156 9.745 14.012 1.00 0.00 C ATOM 1563 CD GLU A 130 7.076 10.513 14.963 1.00 0.00 C ATOM 1564 OE1 GLU A 130 7.129 10.149 16.127 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.709 11.451 14.512 1.00 0.00 O ATOM 0 H GLU A 130 4.402 7.922 14.129 1.00 0.00 H new ATOM 0 HA GLU A 130 2.831 10.138 13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.771 11.400 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 130 4.334 10.151 15.098 1.00 0.00 H new ATOM 0 HG2 GLU A 130 6.147 8.687 14.272 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.528 9.819 12.990 1.00 0.00 H new ATOM 1572 N ALA A 131 5.263 9.030 11.207 1.00 0.00 N ATOM 1573 CA ALA A 131 5.815 9.142 9.819 1.00 0.00 C ATOM 1574 C ALA A 131 4.717 8.785 8.814 1.00 0.00 C ATOM 1575 O ALA A 131 4.604 9.391 7.763 1.00 0.00 O ATOM 1576 CB ALA A 131 6.963 8.130 9.745 1.00 0.00 C ATOM 0 H ALA A 131 5.648 8.268 11.764 1.00 0.00 H new ATOM 0 HA ALA A 131 6.165 10.148 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.412 8.161 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.717 8.379 10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.578 7.129 9.938 1.00 0.00 H new ATOM 1582 N MET A 132 3.904 7.810 9.146 1.00 0.00 N ATOM 1583 CA MET A 132 2.790 7.401 8.230 1.00 0.00 C ATOM 1584 C MET A 132 1.748 8.516 8.166 1.00 0.00 C ATOM 1585 O MET A 132 1.163 8.772 7.130 1.00 0.00 O ATOM 1586 CB MET A 132 2.185 6.138 8.851 1.00 0.00 C ATOM 1587 CG MET A 132 3.111 4.942 8.594 1.00 0.00 C ATOM 1588 SD MET A 132 2.587 4.068 7.095 1.00 0.00 S ATOM 1589 CE MET A 132 3.487 5.095 5.908 1.00 0.00 C ATOM 0 H MET A 132 3.964 7.278 10.014 1.00 0.00 H new ATOM 0 HA MET A 132 3.138 7.215 7.214 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.046 6.279 9.923 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.201 5.947 8.424 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.140 5.284 8.485 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.089 4.264 9.447 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.972 4.457 5.169 1.00 0.00 H new ATOM 0 HE2 MET A 132 2.790 5.767 5.407 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.242 5.681 6.433 1.00 0.00 H new ATOM 1599 N PHE A 133 1.520 9.179 9.275 1.00 0.00 N ATOM 1600 CA PHE A 133 0.517 10.292 9.307 1.00 0.00 C ATOM 1601 C PHE A 133 1.019 11.455 8.485 1.00 0.00 C ATOM 1602 O PHE A 133 0.259 12.079 7.771 1.00 0.00 O ATOM 1603 CB PHE A 133 0.351 10.649 10.799 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.353 9.523 11.597 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.740 8.294 11.000 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.612 9.728 12.960 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.371 7.305 11.760 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.245 8.734 13.716 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.624 7.524 13.118 1.00 0.00 C ATOM 0 H PHE A 133 1.987 8.997 10.163 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.445 10.014 8.876 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.331 10.843 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -0.225 11.570 10.888 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.545 8.122 9.952 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.322 10.657 13.429 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.663 6.373 11.299 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.442 8.900 14.765 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.112 6.761 13.706 1.00 0.00 H new ATOM 1619 N THR A 134 2.300 11.720 8.543 1.00 0.00 N ATOM 1620 CA THR A 134 2.869 12.816 7.710 1.00 0.00 C ATOM 1621 C THR A 134 2.773 12.386 6.245 1.00 0.00 C ATOM 1622 O THR A 134 2.532 13.192 5.366 1.00 0.00 O ATOM 1623 CB THR A 134 4.330 12.964 8.148 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.382 13.174 9.552 1.00 0.00 O ATOM 1625 CG2 THR A 134 4.962 14.157 7.428 1.00 0.00 C ATOM 0 H THR A 134 2.972 11.225 9.130 1.00 0.00 H new ATOM 0 HA THR A 134 2.345 13.765 7.826 1.00 0.00 H new ATOM 0 HB THR A 134 4.880 12.057 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.313 12.313 10.014 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.001 14.262 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 134 4.921 13.995 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.415 15.065 7.679 1.00 0.00 H new ATOM 1633 N ALA A 135 2.936 11.101 5.991 1.00 0.00 N ATOM 1634 CA ALA A 135 2.830 10.590 4.586 1.00 0.00 C ATOM 1635 C ALA A 135 1.378 10.683 4.111 1.00 0.00 C ATOM 1636 O ALA A 135 1.097 11.156 3.024 1.00 0.00 O ATOM 1637 CB ALA A 135 3.284 9.130 4.645 1.00 0.00 C ATOM 0 H ALA A 135 3.137 10.391 6.695 1.00 0.00 H new ATOM 0 HA ALA A 135 3.438 11.168 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.232 8.692 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.310 9.083 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.634 8.574 5.320 1.00 0.00 H new ATOM 1643 N MET A 136 0.456 10.234 4.932 1.00 0.00 N ATOM 1644 CA MET A 136 -0.993 10.287 4.558 1.00 0.00 C ATOM 1645 C MET A 136 -1.487 11.730 4.586 1.00 0.00 C ATOM 1646 O MET A 136 -2.137 12.192 3.665 1.00 0.00 O ATOM 1647 CB MET A 136 -1.724 9.450 5.614 1.00 0.00 C ATOM 1648 CG MET A 136 -3.204 9.345 5.247 1.00 0.00 C ATOM 1649 SD MET A 136 -4.097 8.505 6.580 1.00 0.00 S ATOM 1650 CE MET A 136 -3.259 6.907 6.440 1.00 0.00 C ATOM 0 H MET A 136 0.647 9.831 5.849 1.00 0.00 H new ATOM 0 HA MET A 136 -1.168 9.904 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.282 8.455 5.675 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.614 9.908 6.597 1.00 0.00 H new ATOM 0 HG2 MET A 136 -3.621 10.339 5.085 1.00 0.00 H new ATOM 0 HG3 MET A 136 -3.320 8.795 4.313 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.907 6.121 6.827 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.031 6.706 5.393 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.333 6.930 7.015 1.00 0.00 H new ATOM 1660 N CYS A 137 -1.179 12.444 5.647 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.627 13.873 5.755 1.00 0.00 C ATOM 1662 C CYS A 137 -1.046 14.698 4.604 1.00 0.00 C ATOM 1663 O CYS A 137 -1.741 15.489 3.989 1.00 0.00 O ATOM 1664 CB CYS A 137 -1.086 14.374 7.098 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.834 15.975 7.489 1.00 0.00 S ATOM 0 H CYS A 137 -0.638 12.100 6.440 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.712 13.963 5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -1.311 13.654 7.884 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -0.001 14.469 7.053 1.00 0.00 H new ATOM 0 HG CYS A 137 -1.377 16.400 8.629 1.00 0.00 H new ATOM 1671 N GLU A 138 0.219 14.510 4.307 1.00 0.00 N ATOM 1672 CA GLU A 138 0.860 15.275 3.190 1.00 0.00 C ATOM 1673 C GLU A 138 0.279 14.830 1.853 1.00 0.00 C ATOM 1674 O GLU A 138 0.108 15.616 0.939 1.00 0.00 O ATOM 1675 CB GLU A 138 2.354 14.952 3.265 1.00 0.00 C ATOM 1676 CG GLU A 138 3.108 15.776 2.219 1.00 0.00 C ATOM 1677 CD GLU A 138 4.581 15.363 2.204 1.00 0.00 C ATOM 1678 OE1 GLU A 138 4.849 14.191 2.409 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.415 16.227 1.989 1.00 0.00 O ATOM 0 H GLU A 138 0.836 13.858 4.792 1.00 0.00 H new ATOM 0 HA GLU A 138 0.683 16.347 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.735 15.174 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.516 13.888 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 138 2.667 15.623 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.020 16.838 2.446 1.00 0.00 H new ATOM 1686 N CYS A 139 -0.024 13.568 1.749 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.607 13.022 0.482 1.00 0.00 C ATOM 1688 C CYS A 139 -2.036 13.533 0.298 1.00 0.00 C ATOM 1689 O CYS A 139 -2.431 13.913 -0.790 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.599 11.499 0.653 1.00 0.00 C ATOM 1691 SG CYS A 139 -1.148 10.716 -0.883 1.00 0.00 S ATOM 0 H CYS A 139 0.107 12.881 2.491 1.00 0.00 H new ATOM 0 HA CYS A 139 -0.040 13.331 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 139 0.403 11.157 0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -1.255 11.211 1.475 1.00 0.00 H new ATOM 0 HG CYS A 139 -1.139 9.424 -0.739 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.808 13.547 1.360 1.00 0.00 N ATOM 1698 CA GLN A 140 -4.223 14.038 1.266 1.00 0.00 C ATOM 1699 C GLN A 140 -4.240 15.540 0.983 1.00 0.00 C ATOM 1700 O GLN A 140 -5.066 16.027 0.229 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.852 13.746 2.633 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.665 12.452 2.563 1.00 0.00 C ATOM 1703 CD GLN A 140 -6.341 12.200 3.898 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -7.118 13.007 4.371 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -6.072 11.098 4.531 1.00 0.00 N ATOM 0 H GLN A 140 -2.520 13.240 2.289 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.770 13.550 0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -4.073 13.657 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.494 14.574 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -6.413 12.523 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -5.014 11.615 2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.419 10.425 4.129 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.513 10.906 5.430 1.00 0.00 H new ATOM 1714 N ALA A 141 -3.336 16.274 1.587 1.00 0.00 N ATOM 1715 CA ALA A 141 -3.286 17.755 1.366 1.00 0.00 C ATOM 1716 C ALA A 141 -2.811 18.062 -0.056 1.00 0.00 C ATOM 1717 O ALA A 141 -3.288 18.990 -0.689 1.00 0.00 O ATOM 1718 CB ALA A 141 -2.286 18.293 2.394 1.00 0.00 C ATOM 0 H ALA A 141 -2.628 15.910 2.225 1.00 0.00 H new ATOM 0 HA ALA A 141 -4.267 18.216 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -2.201 19.374 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.633 18.054 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.311 17.834 2.228 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.877 17.289 -0.559 1.00 0.00 N ATOM 1725 CA LEU A 142 -1.359 17.526 -1.947 1.00 0.00 C ATOM 1726 C LEU A 142 -2.421 17.140 -2.978 1.00 0.00 C ATOM 1727 O LEU A 142 -2.765 17.923 -3.845 1.00 0.00 O ATOM 1728 CB LEU A 142 -0.124 16.618 -2.083 1.00 0.00 C ATOM 1729 CG LEU A 142 0.848 17.167 -3.145 1.00 0.00 C ATOM 1730 CD1 LEU A 142 0.153 17.245 -4.510 1.00 0.00 C ATOM 1731 CD2 LEU A 142 1.334 18.564 -2.738 1.00 0.00 C ATOM 0 H LEU A 142 -1.450 16.503 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.111 18.574 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.385 16.544 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.437 15.610 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 142 1.702 16.493 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.850 17.634 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.176 16.249 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -0.710 17.907 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.021 18.945 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.480 19.236 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.847 18.505 -1.778 1.00 0.00 H new