USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 778 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 85 LYS NZ :NH3+ 151:sc= 0.533 (180deg=0) USER MOD Set 1.2: A 87 GLN : amide:sc= 0.377 K(o=0.91,f=-1.4) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -125:sc= 0.59 (180deg=0) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0.541 USER MOD Set 3.1: A 24 ASN : amide:sc= -0.207 K(o=-0.25,f=-2!) USER MOD Set 3.2: A 44 HIS : no HD1:sc= -0.0443 X(o=-0.25,f=-0.58) USER MOD Set 4.1: A 12 GLN : amide:sc= -1.04 K(o=-0.45,f=-6.8!) USER MOD Set 4.2: A 25 LYS NZ :NH3+ -119:sc= 0.589 (180deg=0.174) USER MOD Set 5.1: A 1 MET N :NH3+ -118:sc= -0.9 (180deg=-2.71!) USER MOD Set 5.2: A 62 THR OG1 : rot 170:sc= -0.0184 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.224 (180deg=-0.654) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 1.09 (180deg=1.02) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= -0.0235 (180deg=-0.0253) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -178:sc= 0 (180deg=-0.00451) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0162 K(o=-0.016,f=-2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.321 USER MOD Single : A 58 SER OG : rot 84:sc= 0.199 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0655) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.605 K(o=0.61,f=-0.059) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.678 K(o=0.68,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.855 K(o=0.86,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.657 -0.891 8.827 1.00 -0.46 N ATOM 2 CA MET A 1 -14.707 -2.154 9.540 1.00 0.04 C ATOM 3 C MET A 1 -13.290 -2.652 9.831 1.00 0.62 C ATOM 4 O MET A 1 -12.903 -2.767 10.992 1.00 -0.50 O ATOM 5 CB MET A 1 -15.515 -3.187 8.742 1.00 -0.15 C ATOM 6 CG MET A 1 -16.924 -2.737 8.328 1.00 -0.05 C ATOM 7 SD MET A 1 -18.122 -2.364 9.643 1.00 0.74 S ATOM 8 CE MET A 1 -17.802 -0.613 9.991 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.110 -0.151 9.400 1.00 -0.46 H new ATOM 0 H2 MET A 1 -13.666 -0.632 8.648 1.00 -0.46 H new ATOM 0 H3 MET A 1 -15.159 -0.984 7.921 1.00 -0.46 H new ATOM 0 HA MET A 1 -15.212 -2.005 10.494 1.00 0.04 H new ATOM 0 HB2 MET A 1 -14.955 -3.447 7.843 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -15.602 -4.096 9.338 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -16.821 -1.847 7.708 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -17.352 -3.517 7.698 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.659 -0.182 10.509 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -16.916 -0.523 10.619 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.638 -0.080 9.054 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.516 -2.944 8.777 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.158 -3.459 8.899 1.00 0.04 C ATOM 20 C PHE A 2 -10.190 -2.358 9.339 1.00 0.62 C ATOM 21 O PHE A 2 -10.567 -1.192 9.418 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.704 -4.044 7.557 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.646 -5.021 6.881 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -12.332 -6.004 7.622 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -11.802 -4.968 5.484 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -13.181 -6.913 6.967 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -12.677 -5.853 4.840 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.343 -6.847 5.573 1.00 -0.15 C ATOM 0 H PHE A 2 -12.823 -2.826 7.811 1.00 -0.46 H new ATOM 0 HA PHE A 2 -11.154 -4.241 9.659 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -10.523 -3.217 6.870 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.749 -4.545 7.711 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -12.205 -6.059 8.693 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -11.246 -4.244 4.907 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -13.710 -7.663 7.536 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -12.839 -5.770 3.776 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -13.978 -7.559 5.067 1.00 -0.15 H new ATOM 38 N THR A 3 -8.936 -2.738 9.615 1.00 -0.46 N ATOM 39 CA THR A 3 -7.881 -1.838 10.061 1.00 0.04 C ATOM 40 C THR A 3 -6.725 -1.911 9.060 1.00 0.62 C ATOM 41 O THR A 3 -5.741 -2.612 9.294 1.00 -0.50 O ATOM 42 CB THR A 3 -7.459 -2.221 11.491 1.00 0.17 C ATOM 43 OG1 THR A 3 -8.595 -2.237 12.333 1.00 -0.55 O ATOM 44 CG2 THR A 3 -6.456 -1.222 12.077 1.00 -0.19 C ATOM 0 H THR A 3 -8.626 -3.706 9.530 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.226 -0.805 10.096 1.00 0.04 H new ATOM 0 HB THR A 3 -6.992 -3.204 11.437 1.00 0.17 H new ATOM 0 HG1 THR A 3 -8.325 -2.483 13.242 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -6.184 -1.529 13.087 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -5.563 -1.195 11.453 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -6.907 -0.230 12.108 1.00 -0.19 H new ATOM 52 N ILE A 4 -6.850 -1.190 7.937 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.797 -1.098 6.934 1.00 0.04 C ATOM 54 C ILE A 4 -4.850 0.021 7.374 1.00 0.62 C ATOM 55 O ILE A 4 -5.251 1.180 7.443 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.393 -0.855 5.532 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.031 -2.119 4.925 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.303 -0.402 4.551 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.255 -2.625 5.685 1.00 -0.09 C ATOM 0 H ILE A 4 -7.688 -0.656 7.705 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.242 -2.033 6.858 1.00 0.04 H new ATOM 0 HB ILE A 4 -7.157 -0.090 5.671 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -7.317 -1.909 3.894 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.283 -2.911 4.893 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.744 -0.236 3.568 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.854 0.525 4.908 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.535 -1.173 4.479 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -8.645 -3.517 5.194 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -7.972 -2.869 6.709 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -9.023 -1.851 5.695 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.598 -0.328 7.685 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.590 0.633 8.115 1.00 0.04 C ATOM 73 C ASN A 5 -2.134 1.478 6.924 1.00 0.62 C ATOM 74 O ASN A 5 -2.006 0.963 5.813 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.397 -0.106 8.736 1.00 -0.09 C ATOM 76 CG ASN A 5 -1.781 -0.931 9.965 1.00 0.68 C ATOM 77 OD1 ASN A 5 -2.786 -0.665 10.622 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -0.976 -1.947 10.280 1.00 -0.87 N ATOM 0 H ASN A 5 -3.259 -1.289 7.644 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.021 1.294 8.867 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -0.954 -0.763 7.988 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -0.633 0.619 9.016 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -1.186 -2.532 11.089 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -0.151 -2.139 9.712 1.00 -0.87 H new ATOM 85 N ALA A 6 -1.893 2.774 7.158 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.442 3.705 6.135 1.00 0.04 C ATOM 87 C ALA A 6 -0.690 4.878 6.771 1.00 0.62 C ATOM 88 O ALA A 6 -0.852 5.164 7.956 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.644 4.199 5.329 1.00 -0.10 C ATOM 0 H ALA A 6 -2.009 3.203 8.076 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.753 3.194 5.462 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.306 4.897 4.563 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.138 3.351 4.855 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.346 4.702 5.994 1.00 -0.10 H new ATOM 95 N GLU A 7 0.134 5.543 5.954 1.00 -0.46 N ATOM 96 CA GLU A 7 0.963 6.686 6.317 1.00 0.04 C ATOM 97 C GLU A 7 0.948 7.667 5.141 1.00 0.62 C ATOM 98 O GLU A 7 0.582 7.278 4.033 1.00 -0.50 O ATOM 99 CB GLU A 7 2.373 6.176 6.666 1.00 -0.18 C ATOM 100 CG GLU A 7 3.340 7.280 7.123 1.00 -0.40 C ATOM 101 CD GLU A 7 4.655 6.738 7.691 1.00 0.71 C ATOM 102 OE1 GLU A 7 4.759 5.505 7.871 1.00 -0.72 O ATOM 103 OE2 GLU A 7 5.546 7.579 7.941 1.00 -0.72 O ATOM 0 H GLU A 7 0.243 5.282 4.974 1.00 -0.46 H new ATOM 0 HA GLU A 7 0.588 7.213 7.194 1.00 0.04 H new ATOM 0 HB2 GLU A 7 2.293 5.428 7.454 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.794 5.676 5.794 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 3.559 7.933 6.279 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 2.850 7.892 7.881 1.00 -0.40 H new ATOM 110 N VAL A 8 1.312 8.935 5.369 1.00 -0.46 N ATOM 111 CA VAL A 8 1.299 9.989 4.352 1.00 0.04 C ATOM 112 C VAL A 8 2.466 9.856 3.359 1.00 0.62 C ATOM 113 O VAL A 8 3.320 10.736 3.268 1.00 -0.50 O ATOM 114 CB VAL A 8 1.216 11.384 5.006 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.187 11.624 5.575 1.00 -0.09 C ATOM 116 CG2 VAL A 8 2.267 11.613 6.104 1.00 -0.09 C ATOM 0 H VAL A 8 1.629 9.261 6.282 1.00 -0.46 H new ATOM 0 HA VAL A 8 0.396 9.865 3.754 1.00 0.04 H new ATOM 0 HB VAL A 8 1.429 12.101 4.213 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.230 12.612 6.033 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -0.921 11.565 4.771 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.410 10.866 6.326 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 2.148 12.614 6.518 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 2.134 10.875 6.895 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 3.265 11.513 5.679 1.00 -0.09 H new ATOM 126 N ARG A 9 2.462 8.763 2.582 1.00 -0.46 N ATOM 127 CA ARG A 9 3.426 8.439 1.539 1.00 0.04 C ATOM 128 C ARG A 9 4.864 8.626 2.033 1.00 0.62 C ATOM 129 O ARG A 9 5.618 9.426 1.482 1.00 -0.50 O ATOM 130 CB ARG A 9 3.109 9.221 0.258 1.00 -0.08 C ATOM 131 CG ARG A 9 3.803 8.580 -0.954 1.00 -0.10 C ATOM 132 CD ARG A 9 3.445 9.288 -2.264 1.00 -0.23 C ATOM 133 NE ARG A 9 3.992 10.653 -2.317 1.00 -0.32 N ATOM 134 CZ ARG A 9 3.351 11.781 -1.963 1.00 0.76 C ATOM 135 NH1 ARG A 9 2.101 11.753 -1.479 1.00 -0.62 N ATOM 136 NH2 ARG A 9 3.979 12.957 -2.093 1.00 -0.62 N ATOM 0 H ARG A 9 1.743 8.046 2.676 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.339 7.382 1.287 1.00 0.04 H new ATOM 0 HB2 ARG A 9 2.031 9.243 0.097 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 3.437 10.255 0.366 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 4.883 8.609 -0.810 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 3.519 7.530 -1.021 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 3.828 8.710 -3.105 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 2.361 9.327 -2.371 1.00 -0.23 H new ATOM 0 HE ARG A 9 4.949 10.753 -2.655 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 1.615 10.862 -1.372 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 1.636 12.622 -1.217 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 4.931 12.989 -2.457 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 3.505 13.820 -1.828 1.00 -0.62 H new ATOM 150 N LYS A 10 5.227 7.904 3.097 1.00 -0.46 N ATOM 151 CA LYS A 10 6.532 7.993 3.724 1.00 0.04 C ATOM 152 C LYS A 10 6.857 6.638 4.351 1.00 0.62 C ATOM 153 O LYS A 10 6.007 6.045 5.010 1.00 -0.50 O ATOM 154 CB LYS A 10 6.531 9.158 4.730 1.00 -0.10 C ATOM 155 CG LYS A 10 7.927 9.492 5.272 1.00 -0.16 C ATOM 156 CD LYS A 10 8.234 8.759 6.581 1.00 -0.18 C ATOM 157 CE LYS A 10 9.699 8.975 6.975 1.00 -0.04 C ATOM 158 NZ LYS A 10 10.089 8.076 8.073 1.00 -0.14 N ATOM 0 H LYS A 10 4.606 7.232 3.548 1.00 -0.46 H new ATOM 0 HA LYS A 10 7.318 8.212 3.002 1.00 0.04 H new ATOM 0 HB2 LYS A 10 6.114 10.043 4.250 1.00 -0.10 H new ATOM 0 HB3 LYS A 10 5.875 8.908 5.564 1.00 -0.10 H new ATOM 0 HG2 LYS A 10 8.677 9.228 4.526 1.00 -0.16 H new ATOM 0 HG3 LYS A 10 8.004 10.567 5.434 1.00 -0.16 H new ATOM 0 HD2 LYS A 10 7.579 9.123 7.373 1.00 -0.18 H new ATOM 0 HD3 LYS A 10 8.034 7.694 6.466 1.00 -0.18 H new ATOM 0 HE2 LYS A 10 10.341 8.800 6.112 1.00 -0.04 H new ATOM 0 HE3 LYS A 10 9.849 10.011 7.278 1.00 -0.04 H new ATOM 0 HZ1 LYS A 10 11.119 8.119 8.208 1.00 -0.14 H new ATOM 0 HZ2 LYS A 10 9.613 8.371 8.949 1.00 -0.14 H new ATOM 0 HZ3 LYS A 10 9.811 7.102 7.839 1.00 -0.14 H new ATOM 172 N GLU A 11 8.080 6.145 4.113 1.00 -0.46 N ATOM 173 CA GLU A 11 8.539 4.827 4.534 1.00 0.04 C ATOM 174 C GLU A 11 9.563 4.933 5.665 1.00 0.62 C ATOM 175 O GLU A 11 9.972 6.025 6.059 1.00 -0.50 O ATOM 176 CB GLU A 11 9.134 4.096 3.320 1.00 -0.18 C ATOM 177 CG GLU A 11 8.066 3.585 2.343 1.00 -0.40 C ATOM 178 CD GLU A 11 7.362 2.328 2.856 1.00 0.71 C ATOM 179 OE1 GLU A 11 6.520 2.452 3.769 1.00 -0.72 O ATOM 180 OE2 GLU A 11 7.703 1.232 2.357 1.00 -0.72 O ATOM 0 H GLU A 11 8.792 6.672 3.608 1.00 -0.46 H new ATOM 0 HA GLU A 11 7.693 4.259 4.921 1.00 0.04 H new ATOM 0 HB2 GLU A 11 9.808 4.770 2.792 1.00 -0.18 H new ATOM 0 HB3 GLU A 11 9.733 3.254 3.668 1.00 -0.18 H new ATOM 0 HG2 GLU A 11 7.327 4.369 2.174 1.00 -0.40 H new ATOM 0 HG3 GLU A 11 8.530 3.371 1.380 1.00 -0.40 H new ATOM 187 N GLN A 12 9.978 3.771 6.182 1.00 -0.46 N ATOM 188 CA GLN A 12 10.947 3.640 7.259 1.00 0.04 C ATOM 189 C GLN A 12 12.314 4.111 6.755 1.00 0.62 C ATOM 190 O GLN A 12 13.040 3.359 6.106 1.00 -0.50 O ATOM 191 CB GLN A 12 10.989 2.186 7.757 1.00 -0.10 C ATOM 192 CG GLN A 12 9.717 1.768 8.515 1.00 -0.10 C ATOM 193 CD GLN A 12 8.475 1.697 7.623 1.00 0.68 C ATOM 194 OE1 GLN A 12 8.422 0.892 6.694 1.00 -0.47 O ATOM 195 NE2 GLN A 12 7.482 2.549 7.885 1.00 -0.87 N ATOM 0 H GLN A 12 9.633 2.871 5.847 1.00 -0.46 H new ATOM 0 HA GLN A 12 10.659 4.263 8.106 1.00 0.04 H new ATOM 0 HB2 GLN A 12 11.132 1.521 6.905 1.00 -0.10 H new ATOM 0 HB3 GLN A 12 11.852 2.057 8.410 1.00 -0.10 H new ATOM 0 HG2 GLN A 12 9.881 0.794 8.976 1.00 -0.10 H new ATOM 0 HG3 GLN A 12 9.535 2.476 9.323 1.00 -0.10 H new ATOM 0 HE21 GLN A 12 7.563 3.202 8.664 1.00 -0.87 H new ATOM 0 HE22 GLN A 12 6.642 2.547 7.306 1.00 -0.87 H new ATOM 204 N GLY A 13 12.634 5.377 7.041 1.00 -0.46 N ATOM 205 CA GLY A 13 13.807 6.076 6.547 1.00 0.04 C ATOM 206 C GLY A 13 13.535 7.580 6.594 1.00 0.62 C ATOM 207 O GLY A 13 12.913 8.064 7.540 1.00 -0.50 O ATOM 0 H GLY A 13 12.055 5.959 7.647 1.00 -0.46 H new ATOM 0 HA2 GLY A 13 14.678 5.830 7.155 1.00 0.04 H new ATOM 0 HA3 GLY A 13 14.032 5.764 5.527 1.00 0.04 H new ATOM 211 N LYS A 14 13.977 8.308 5.560 1.00 -0.46 N ATOM 212 CA LYS A 14 13.761 9.740 5.401 1.00 0.04 C ATOM 213 C LYS A 14 13.453 10.029 3.932 1.00 0.62 C ATOM 214 O LYS A 14 13.955 9.340 3.044 1.00 -0.50 O ATOM 215 CB LYS A 14 14.998 10.501 5.908 1.00 -0.10 C ATOM 216 CG LYS A 14 14.821 12.030 5.902 1.00 -0.16 C ATOM 217 CD LYS A 14 15.309 12.713 4.612 1.00 -0.18 C ATOM 218 CE LYS A 14 16.756 13.216 4.713 1.00 -0.04 C ATOM 219 NZ LYS A 14 17.719 12.125 4.949 1.00 -0.14 N ATOM 0 H LYS A 14 14.509 7.899 4.792 1.00 -0.46 H new ATOM 0 HA LYS A 14 12.911 10.079 5.993 1.00 0.04 H new ATOM 0 HB2 LYS A 14 15.226 10.173 6.922 1.00 -0.10 H new ATOM 0 HB3 LYS A 14 15.855 10.240 5.288 1.00 -0.10 H new ATOM 0 HG2 LYS A 14 13.766 12.264 6.048 1.00 -0.16 H new ATOM 0 HG3 LYS A 14 15.361 12.451 6.750 1.00 -0.16 H new ATOM 0 HD2 LYS A 14 15.231 12.010 3.783 1.00 -0.18 H new ATOM 0 HD3 LYS A 14 14.653 13.552 4.381 1.00 -0.18 H new ATOM 0 HE2 LYS A 14 17.021 13.737 3.793 1.00 -0.04 H new ATOM 0 HE3 LYS A 14 16.829 13.942 5.523 1.00 -0.04 H new ATOM 0 HZ1 LYS A 14 18.682 12.515 4.992 1.00 -0.14 H new ATOM 0 HZ2 LYS A 14 17.496 11.653 5.849 1.00 -0.14 H new ATOM 0 HZ3 LYS A 14 17.660 11.435 4.173 1.00 -0.14 H new ATOM 233 N GLY A 15 12.618 11.044 3.685 1.00 -0.46 N ATOM 234 CA GLY A 15 12.143 11.408 2.360 1.00 0.04 C ATOM 235 C GLY A 15 10.795 10.739 2.116 1.00 0.62 C ATOM 236 O GLY A 15 9.857 10.966 2.876 1.00 -0.50 O ATOM 0 H GLY A 15 12.249 11.645 4.423 1.00 -0.46 H new ATOM 0 HA2 GLY A 15 12.046 12.491 2.279 1.00 0.04 H new ATOM 0 HA3 GLY A 15 12.862 11.094 1.603 1.00 0.04 H new ATOM 240 N ALA A 16 10.704 9.910 1.069 1.00 -0.46 N ATOM 241 CA ALA A 16 9.488 9.192 0.723 1.00 0.04 C ATOM 242 C ALA A 16 9.819 8.019 -0.196 1.00 0.62 C ATOM 243 O ALA A 16 10.642 8.158 -1.100 1.00 -0.50 O ATOM 244 CB ALA A 16 8.495 10.135 0.036 1.00 -0.10 C ATOM 0 H ALA A 16 11.483 9.722 0.438 1.00 -0.46 H new ATOM 0 HA ALA A 16 9.033 8.809 1.636 1.00 0.04 H new ATOM 0 HB1 ALA A 16 7.588 9.586 -0.218 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 8.246 10.955 0.710 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 8.943 10.536 -0.873 1.00 -0.10 H new ATOM 250 N SER A 17 9.154 6.880 0.029 1.00 -0.46 N ATOM 251 CA SER A 17 9.160 5.729 -0.864 1.00 0.04 C ATOM 252 C SER A 17 10.568 5.172 -1.107 1.00 0.62 C ATOM 253 O SER A 17 10.936 4.905 -2.250 1.00 -0.50 O ATOM 254 CB SER A 17 8.436 6.087 -2.171 1.00 0.02 C ATOM 255 OG SER A 17 7.158 6.624 -1.891 1.00 -0.55 O ATOM 0 H SER A 17 8.583 6.735 0.862 1.00 -0.46 H new ATOM 0 HA SER A 17 8.616 4.919 -0.378 1.00 0.04 H new ATOM 0 HB2 SER A 17 9.026 6.809 -2.736 1.00 0.02 H new ATOM 0 HB3 SER A 17 8.336 5.199 -2.795 1.00 0.02 H new ATOM 0 HG SER A 17 6.707 6.850 -2.731 1.00 -0.55 H new ATOM 261 N ARG A 18 11.344 4.977 -0.031 1.00 -0.46 N ATOM 262 CA ARG A 18 12.677 4.382 -0.080 1.00 0.04 C ATOM 263 C ARG A 18 12.689 3.065 0.703 1.00 0.62 C ATOM 264 O ARG A 18 13.583 2.829 1.513 1.00 -0.50 O ATOM 265 CB ARG A 18 13.723 5.369 0.460 1.00 -0.08 C ATOM 266 CG ARG A 18 13.828 6.624 -0.413 1.00 -0.10 C ATOM 267 CD ARG A 18 15.037 7.459 0.013 1.00 -0.23 C ATOM 268 NE ARG A 18 15.192 8.640 -0.844 1.00 -0.32 N ATOM 269 CZ ARG A 18 16.273 9.440 -0.857 1.00 0.76 C ATOM 270 NH1 ARG A 18 17.296 9.223 -0.018 1.00 -0.62 N ATOM 271 NH2 ARG A 18 16.330 10.463 -1.722 1.00 -0.62 N ATOM 0 H ARG A 18 11.053 5.235 0.912 1.00 -0.46 H new ATOM 0 HA ARG A 18 12.936 4.162 -1.116 1.00 0.04 H new ATOM 0 HB2 ARG A 18 13.460 5.656 1.478 1.00 -0.08 H new ATOM 0 HB3 ARG A 18 14.695 4.878 0.508 1.00 -0.08 H new ATOM 0 HG2 ARG A 18 13.923 6.341 -1.461 1.00 -0.10 H new ATOM 0 HG3 ARG A 18 12.917 7.216 -0.324 1.00 -0.10 H new ATOM 0 HD2 ARG A 18 14.919 7.772 1.051 1.00 -0.23 H new ATOM 0 HD3 ARG A 18 15.939 6.849 -0.036 1.00 -0.23 H new ATOM 0 HE ARG A 18 14.425 8.871 -1.475 1.00 -0.32 H new ATOM 0 HH11 ARG A 18 17.260 8.444 0.640 1.00 -0.62 H new ATOM 0 HH12 ARG A 18 18.110 9.837 -0.037 1.00 -0.62 H new ATOM 0 HH21 ARG A 18 15.556 10.631 -2.365 1.00 -0.62 H new ATOM 0 HH22 ARG A 18 17.147 11.073 -1.737 1.00 -0.62 H new ATOM 285 N ARG A 19 11.699 2.204 0.446 1.00 -0.46 N ATOM 286 CA ARG A 19 11.594 0.887 1.061 1.00 0.04 C ATOM 287 C ARG A 19 10.607 0.026 0.271 1.00 0.62 C ATOM 288 O ARG A 19 10.911 -1.128 -0.019 1.00 -0.50 O ATOM 289 CB ARG A 19 11.173 1.019 2.535 1.00 -0.08 C ATOM 290 CG ARG A 19 11.207 -0.295 3.333 1.00 -0.10 C ATOM 291 CD ARG A 19 12.560 -0.557 4.006 1.00 -0.23 C ATOM 292 NE ARG A 19 13.644 -0.719 3.026 1.00 -0.32 N ATOM 293 CZ ARG A 19 14.716 0.080 2.862 1.00 0.76 C ATOM 294 NH1 ARG A 19 14.932 1.148 3.645 1.00 -0.62 N ATOM 295 NH2 ARG A 19 15.589 -0.199 1.885 1.00 -0.62 N ATOM 0 H ARG A 19 10.941 2.410 -0.204 1.00 -0.46 H new ATOM 0 HA ARG A 19 12.567 0.397 1.039 1.00 0.04 H new ATOM 0 HB2 ARG A 19 11.828 1.741 3.022 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 10.163 1.427 2.575 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 10.428 -0.270 4.095 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 10.974 -1.124 2.665 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 12.798 0.270 4.675 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 12.491 -1.454 4.621 1.00 -0.23 H new ATOM 0 HE ARG A 19 13.577 -1.524 2.403 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 14.274 1.375 4.391 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 15.754 1.733 3.494 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 15.436 -1.006 1.280 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 16.406 0.395 1.746 1.00 -0.62 H new ATOM 309 N LEU A 20 9.438 0.581 -0.081 1.00 -0.46 N ATOM 310 CA LEU A 20 8.387 -0.123 -0.810 1.00 0.04 C ATOM 311 C LEU A 20 8.900 -0.773 -2.098 1.00 0.62 C ATOM 312 O LEU A 20 8.485 -1.882 -2.428 1.00 -0.50 O ATOM 313 CB LEU A 20 7.172 0.792 -1.043 1.00 -0.06 C ATOM 314 CG LEU A 20 7.375 2.035 -1.929 1.00 -0.01 C ATOM 315 CD1 LEU A 20 7.079 1.747 -3.409 1.00 -0.11 C ATOM 316 CD2 LEU A 20 6.387 3.113 -1.465 1.00 -0.11 C ATOM 0 H LEU A 20 9.198 1.548 0.139 1.00 -0.46 H new ATOM 0 HA LEU A 20 8.051 -0.950 -0.185 1.00 0.04 H new ATOM 0 HB2 LEU A 20 6.378 0.190 -1.485 1.00 -0.06 H new ATOM 0 HB3 LEU A 20 6.813 1.128 -0.070 1.00 -0.06 H new ATOM 0 HG LEU A 20 8.415 2.348 -1.837 1.00 -0.01 H new ATOM 0 HD11 LEU A 20 7.236 2.653 -3.994 1.00 -0.11 H new ATOM 0 HD12 LEU A 20 7.746 0.963 -3.768 1.00 -0.11 H new ATOM 0 HD13 LEU A 20 6.045 1.420 -3.516 1.00 -0.11 H new ATOM 0 HD21 LEU A 20 6.510 4.007 -2.077 1.00 -0.11 H new ATOM 0 HD22 LEU A 20 5.368 2.740 -1.567 1.00 -0.11 H new ATOM 0 HD23 LEU A 20 6.581 3.359 -0.421 1.00 -0.11 H new ATOM 328 N ARG A 21 9.826 -0.107 -2.799 1.00 -0.46 N ATOM 329 CA ARG A 21 10.374 -0.568 -4.070 1.00 0.04 C ATOM 330 C ARG A 21 11.552 -1.527 -3.833 1.00 0.62 C ATOM 331 O ARG A 21 12.597 -1.402 -4.466 1.00 -0.50 O ATOM 332 CB ARG A 21 10.770 0.666 -4.899 1.00 -0.08 C ATOM 333 CG ARG A 21 10.775 0.370 -6.404 1.00 -0.10 C ATOM 334 CD ARG A 21 11.237 1.610 -7.178 1.00 -0.23 C ATOM 335 NE ARG A 21 10.958 1.491 -8.615 1.00 -0.32 N ATOM 336 CZ ARG A 21 9.771 1.743 -9.196 1.00 0.76 C ATOM 337 NH1 ARG A 21 8.706 2.095 -8.461 1.00 -0.62 N ATOM 338 NH2 ARG A 21 9.649 1.640 -10.526 1.00 -0.62 N ATOM 0 H ARG A 21 10.219 0.782 -2.489 1.00 -0.46 H new ATOM 0 HA ARG A 21 9.630 -1.136 -4.629 1.00 0.04 H new ATOM 0 HB2 ARG A 21 10.075 1.480 -4.692 1.00 -0.08 H new ATOM 0 HB3 ARG A 21 11.759 1.006 -4.593 1.00 -0.08 H new ATOM 0 HG2 ARG A 21 11.437 -0.469 -6.616 1.00 -0.10 H new ATOM 0 HG3 ARG A 21 9.776 0.079 -6.729 1.00 -0.10 H new ATOM 0 HD2 ARG A 21 10.736 2.493 -6.782 1.00 -0.23 H new ATOM 0 HD3 ARG A 21 12.306 1.756 -7.026 1.00 -0.23 H new ATOM 0 HE ARG A 21 11.724 1.194 -9.220 1.00 -0.32 H new ATOM 0 HH11 ARG A 21 8.790 2.175 -7.448 1.00 -0.62 H new ATOM 0 HH12 ARG A 21 7.812 2.283 -8.915 1.00 -0.62 H new ATOM 0 HH21 ARG A 21 10.454 1.372 -11.093 1.00 -0.62 H new ATOM 0 HH22 ARG A 21 8.752 1.830 -10.972 1.00 -0.62 H new ATOM 352 N ALA A 22 11.372 -2.479 -2.910 1.00 -0.46 N ATOM 353 CA ALA A 22 12.381 -3.445 -2.488 1.00 0.04 C ATOM 354 C ALA A 22 11.749 -4.465 -1.540 1.00 0.62 C ATOM 355 O ALA A 22 11.944 -5.666 -1.713 1.00 -0.50 O ATOM 356 CB ALA A 22 13.558 -2.743 -1.799 1.00 -0.10 C ATOM 0 H ALA A 22 10.485 -2.598 -2.421 1.00 -0.46 H new ATOM 0 HA ALA A 22 12.763 -3.957 -3.371 1.00 0.04 H new ATOM 0 HB1 ALA A 22 14.296 -3.485 -1.494 1.00 -0.10 H new ATOM 0 HB2 ALA A 22 14.017 -2.038 -2.492 1.00 -0.10 H new ATOM 0 HB3 ALA A 22 13.198 -2.207 -0.921 1.00 -0.10 H new ATOM 362 N ALA A 23 11.004 -3.977 -0.539 1.00 -0.46 N ATOM 363 CA ALA A 23 10.305 -4.791 0.445 1.00 0.04 C ATOM 364 C ALA A 23 9.012 -5.342 -0.170 1.00 0.62 C ATOM 365 O ALA A 23 9.079 -6.089 -1.144 1.00 -0.50 O ATOM 366 CB ALA A 23 10.082 -3.958 1.714 1.00 -0.10 C ATOM 0 H ALA A 23 10.872 -2.976 -0.394 1.00 -0.46 H new ATOM 0 HA ALA A 23 10.898 -5.658 0.736 1.00 0.04 H new ATOM 0 HB1 ALA A 23 9.559 -4.560 2.457 1.00 -0.10 H new ATOM 0 HB2 ALA A 23 11.045 -3.642 2.116 1.00 -0.10 H new ATOM 0 HB3 ALA A 23 9.484 -3.080 1.472 1.00 -0.10 H new ATOM 372 N ASN A 24 7.840 -5.000 0.383 1.00 -0.46 N ATOM 373 CA ASN A 24 6.565 -5.490 -0.118 1.00 0.04 C ATOM 374 C ASN A 24 5.435 -4.552 0.320 1.00 0.62 C ATOM 375 O ASN A 24 4.578 -4.922 1.122 1.00 -0.50 O ATOM 376 CB ASN A 24 6.355 -6.947 0.337 1.00 -0.09 C ATOM 377 CG ASN A 24 5.282 -7.682 -0.465 1.00 0.68 C ATOM 378 OD1 ASN A 24 4.957 -7.304 -1.589 1.00 -0.47 O ATOM 379 ND2 ASN A 24 4.739 -8.759 0.104 1.00 -0.87 N ATOM 0 H ASN A 24 7.758 -4.378 1.187 1.00 -0.46 H new ATOM 0 HA ASN A 24 6.562 -5.494 -1.208 1.00 0.04 H new ATOM 0 HB2 ASN A 24 7.298 -7.487 0.250 1.00 -0.09 H new ATOM 0 HB3 ASN A 24 6.080 -6.955 1.392 1.00 -0.09 H new ATOM 0 HD21 ASN A 24 4.031 -9.297 -0.395 1.00 -0.87 H new ATOM 0 HD22 ASN A 24 5.032 -9.045 1.038 1.00 -0.87 H new ATOM 386 N LYS A 25 5.449 -3.331 -0.228 1.00 -0.46 N ATOM 387 CA LYS A 25 4.386 -2.341 -0.103 1.00 0.04 C ATOM 388 C LYS A 25 4.133 -1.718 -1.480 1.00 0.62 C ATOM 389 O LYS A 25 4.919 -1.919 -2.406 1.00 -0.50 O ATOM 390 CB LYS A 25 4.782 -1.240 0.893 1.00 -0.10 C ATOM 391 CG LYS A 25 5.057 -1.707 2.328 1.00 -0.16 C ATOM 392 CD LYS A 25 4.663 -0.574 3.290 1.00 -0.18 C ATOM 393 CE LYS A 25 5.290 -0.726 4.679 1.00 -0.04 C ATOM 394 NZ LYS A 25 6.695 -0.284 4.681 1.00 -0.14 N ATOM 0 H LYS A 25 6.232 -2.998 -0.790 1.00 -0.46 H new ATOM 0 HA LYS A 25 3.484 -2.829 0.266 1.00 0.04 H new ATOM 0 HB2 LYS A 25 5.674 -0.739 0.517 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 3.986 -0.496 0.919 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 4.486 -2.609 2.550 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 6.110 -1.959 2.450 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 4.967 0.381 2.862 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 3.578 -0.548 3.388 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 4.722 -0.142 5.403 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 5.233 -1.768 4.994 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 7.309 -1.081 4.943 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 6.954 0.055 3.732 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 6.815 0.487 5.369 1.00 -0.14 H new ATOM 408 N PHE A 26 3.054 -0.938 -1.605 1.00 -0.46 N ATOM 409 CA PHE A 26 2.747 -0.144 -2.788 1.00 0.04 C ATOM 410 C PHE A 26 1.825 1.015 -2.378 1.00 0.62 C ATOM 411 O PHE A 26 1.002 0.842 -1.482 1.00 -0.50 O ATOM 412 CB PHE A 26 2.106 -1.027 -3.871 1.00 -0.10 C ATOM 413 CG PHE A 26 0.678 -1.448 -3.579 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.415 -2.500 -2.681 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.389 -0.707 -4.118 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.910 -2.801 -2.321 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.706 -0.971 -3.710 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.970 -2.030 -2.826 1.00 -0.15 C ATOM 0 H PHE A 26 2.357 -0.843 -0.866 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.662 0.270 -3.212 1.00 0.04 H new ATOM 0 HB2 PHE A 26 2.126 -0.489 -4.819 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.716 -1.921 -4.000 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.231 -3.075 -2.269 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.195 0.066 -4.847 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -1.113 -3.626 -1.655 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.517 -0.359 -4.076 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.986 -2.251 -2.535 1.00 -0.15 H new ATOM 428 N PRO A 27 1.938 2.199 -3.001 1.00 -0.23 N ATOM 429 CA PRO A 27 1.122 3.349 -2.651 1.00 0.04 C ATOM 430 C PRO A 27 -0.309 3.185 -3.176 1.00 0.53 C ATOM 431 O PRO A 27 -0.537 2.515 -4.181 1.00 -0.50 O ATOM 432 CB PRO A 27 1.823 4.548 -3.291 1.00 -0.12 C ATOM 433 CG PRO A 27 2.476 3.934 -4.530 1.00 -0.12 C ATOM 434 CD PRO A 27 2.890 2.545 -4.044 1.00 -0.01 C ATOM 0 HA PRO A 27 1.029 3.472 -1.572 1.00 0.04 H new ATOM 0 HB2 PRO A 27 1.118 5.336 -3.554 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.561 4.990 -2.622 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.781 3.878 -5.368 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 3.334 4.517 -4.866 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.862 1.820 -4.857 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.909 2.552 -3.658 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.267 3.815 -2.488 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.679 3.831 -2.843 1.00 0.04 C ATOM 444 C ALA A 28 -3.231 5.241 -2.628 1.00 0.62 C ATOM 445 O ALA A 28 -2.568 6.069 -2.004 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.420 2.795 -1.999 1.00 -0.10 C ATOM 0 H ALA A 28 -1.067 4.345 -1.640 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.818 3.570 -3.892 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.478 2.802 -2.260 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -3.006 1.805 -2.191 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.306 3.037 -0.942 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.424 5.527 -3.166 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.011 6.865 -3.155 1.00 0.04 C ATOM 454 C ILE A 29 -6.431 6.795 -2.588 1.00 0.62 C ATOM 455 O ILE A 29 -7.168 5.859 -2.886 1.00 -0.50 O ATOM 456 CB ILE A 29 -4.976 7.472 -4.573 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.523 7.605 -5.073 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.647 8.850 -4.583 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.417 8.085 -6.524 1.00 -0.09 C ATOM 0 H ILE A 29 -5.010 4.828 -3.623 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.428 7.523 -2.511 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.521 6.802 -5.239 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -2.988 8.302 -4.428 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -3.026 6.639 -4.981 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.613 9.264 -5.591 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.685 8.752 -4.266 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.120 9.516 -3.900 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.367 8.155 -6.808 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.924 7.377 -7.180 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.885 9.065 -6.618 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.803 7.795 -1.774 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.127 7.931 -1.178 1.00 0.04 C ATOM 473 C ILE A 30 -8.812 9.164 -1.770 1.00 0.62 C ATOM 474 O ILE A 30 -8.351 10.285 -1.568 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.027 8.033 0.356 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.254 6.842 0.959 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.441 8.115 0.954 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -6.985 7.016 2.457 1.00 -0.09 C ATOM 0 H ILE A 30 -6.168 8.548 -1.509 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.723 7.047 -1.405 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.470 8.937 0.604 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -7.822 5.926 0.799 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.306 6.725 0.434 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.373 8.187 2.039 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -9.951 8.995 0.563 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.003 7.221 0.684 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.439 6.150 2.831 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.393 7.917 2.618 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -7.932 7.105 2.989 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.931 8.947 -2.469 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.795 9.988 -3.006 1.00 0.04 C ATOM 492 C TYR A 31 -11.960 10.253 -2.052 1.00 0.62 C ATOM 493 O TYR A 31 -12.316 9.402 -1.236 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.323 9.559 -4.381 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.270 9.512 -5.471 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.386 8.418 -5.566 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.173 10.567 -6.400 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.390 8.401 -6.555 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.187 10.541 -7.398 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.287 9.462 -7.473 1.00 0.46 C ATOM 501 OH TYR A 31 -7.300 9.456 -8.414 1.00 -0.53 O ATOM 0 H TYR A 31 -10.266 8.007 -2.680 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.221 10.908 -3.114 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.778 8.573 -4.290 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.112 10.247 -4.684 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.475 7.591 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.860 11.398 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.701 7.571 -6.611 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.119 11.350 -8.110 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.372 10.261 -8.968 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.563 11.441 -2.184 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.778 11.836 -1.488 1.00 0.04 C ATOM 513 C GLY A 32 -14.836 12.198 -2.522 1.00 0.62 C ATOM 514 O GLY A 32 -15.643 11.351 -2.899 1.00 -0.50 O ATOM 0 H GLY A 32 -12.202 12.171 -2.798 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.132 11.023 -0.854 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.580 12.686 -0.835 1.00 0.04 H new ATOM 518 N GLY A 33 -14.814 13.452 -2.988 1.00 -0.46 N ATOM 519 CA GLY A 33 -15.694 13.933 -4.044 1.00 0.04 C ATOM 520 C GLY A 33 -15.816 15.457 -4.021 1.00 0.62 C ATOM 521 O GLY A 33 -16.921 15.983 -4.136 1.00 -0.50 O ATOM 0 H GLY A 33 -14.175 14.164 -2.635 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -15.311 13.612 -5.013 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -16.681 13.486 -3.928 1.00 0.04 H new ATOM 525 N LYS A 34 -14.682 16.158 -3.880 1.00 -0.46 N ATOM 526 CA LYS A 34 -14.609 17.612 -3.871 1.00 0.04 C ATOM 527 C LYS A 34 -13.142 18.029 -3.995 1.00 0.62 C ATOM 528 O LYS A 34 -12.741 18.599 -5.007 1.00 -0.50 O ATOM 529 CB LYS A 34 -15.256 18.180 -2.592 1.00 -0.10 C ATOM 530 CG LYS A 34 -15.185 19.716 -2.547 1.00 -0.16 C ATOM 531 CD LYS A 34 -15.724 20.291 -1.229 1.00 -0.18 C ATOM 532 CE LYS A 34 -17.232 20.072 -1.059 1.00 -0.04 C ATOM 533 NZ LYS A 34 -17.739 20.755 0.145 1.00 -0.14 N ATOM 0 H LYS A 34 -13.772 15.711 -3.767 1.00 -0.46 H new ATOM 0 HA LYS A 34 -15.165 18.019 -4.715 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -16.298 17.863 -2.541 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -14.754 17.768 -1.717 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -14.151 20.033 -2.682 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -15.756 20.127 -3.380 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -15.198 19.829 -0.394 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -15.510 21.359 -1.189 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -17.757 20.443 -1.939 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -17.441 19.005 -0.990 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -18.762 20.589 0.234 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -17.254 20.382 0.986 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -17.560 21.776 0.066 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.360 17.755 -2.946 1.00 -0.46 N ATOM 548 CA GLU A 35 -10.972 18.173 -2.817 1.00 0.04 C ATOM 549 C GLU A 35 -10.047 17.137 -3.466 1.00 0.62 C ATOM 550 O GLU A 35 -10.462 16.009 -3.737 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.679 18.369 -1.321 1.00 -0.18 C ATOM 552 CG GLU A 35 -9.367 19.114 -1.043 1.00 -0.40 C ATOM 553 CD GLU A 35 -9.259 19.481 0.438 1.00 0.71 C ATOM 554 OE1 GLU A 35 -9.946 20.445 0.832 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -8.503 18.781 1.143 1.00 -0.72 O ATOM 0 H GLU A 35 -12.691 17.220 -2.143 1.00 -0.46 H new ATOM 0 HA GLU A 35 -10.792 19.114 -3.337 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -11.503 18.920 -0.867 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -10.643 17.394 -0.836 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -8.521 18.491 -1.331 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -9.320 20.017 -1.651 1.00 -0.40 H new ATOM 562 N ALA A 36 -8.791 17.528 -3.711 1.00 -0.46 N ATOM 563 CA ALA A 36 -7.757 16.652 -4.244 1.00 0.04 C ATOM 564 C ALA A 36 -7.574 15.425 -3.339 1.00 0.62 C ATOM 565 O ALA A 36 -7.676 15.551 -2.119 1.00 -0.50 O ATOM 566 CB ALA A 36 -6.445 17.432 -4.368 1.00 -0.10 C ATOM 0 H ALA A 36 -8.465 18.479 -3.539 1.00 -0.46 H new ATOM 0 HA ALA A 36 -8.057 16.300 -5.231 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -5.669 16.778 -4.767 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -6.587 18.278 -5.040 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.143 17.795 -3.386 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.328 14.235 -3.910 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.283 12.988 -3.164 1.00 0.04 C ATOM 574 C PRO A 37 -5.969 12.844 -2.388 1.00 0.53 C ATOM 575 O PRO A 37 -4.988 13.529 -2.678 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.431 11.904 -4.226 1.00 -0.12 C ATOM 577 CG PRO A 37 -6.719 12.518 -5.431 1.00 -0.12 C ATOM 578 CD PRO A 37 -7.148 13.981 -5.330 1.00 -0.01 C ATOM 0 HA PRO A 37 -8.066 12.931 -2.408 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -6.968 10.967 -3.916 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.477 11.687 -4.441 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -5.637 12.403 -5.369 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.035 12.062 -6.369 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -6.392 14.642 -5.754 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -8.072 14.158 -5.881 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.966 11.952 -1.391 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.860 11.752 -0.466 1.00 0.04 C ATOM 588 C LEU A 38 -4.068 10.512 -0.884 1.00 0.62 C ATOM 589 O LEU A 38 -4.548 9.392 -0.725 1.00 -0.50 O ATOM 590 CB LEU A 38 -5.387 11.594 0.970 1.00 -0.06 C ATOM 591 CG LEU A 38 -6.102 12.811 1.589 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -5.256 14.087 1.521 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -7.499 13.069 1.007 1.00 -0.11 C ATOM 0 H LEU A 38 -6.757 11.336 -1.206 1.00 -0.46 H new ATOM 0 HA LEU A 38 -4.204 12.622 -0.494 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -6.077 10.750 0.987 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.547 11.331 1.613 1.00 -0.06 H new ATOM 0 HG LEU A 38 -6.237 12.543 2.637 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -5.807 14.913 1.971 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -4.323 13.935 2.064 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -5.035 14.322 0.480 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -7.940 13.941 1.491 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -7.419 13.251 -0.065 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -8.132 12.199 1.181 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.850 10.719 -1.404 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.914 9.654 -1.741 1.00 0.04 C ATOM 607 C ALA A 39 -1.176 9.200 -0.479 1.00 0.62 C ATOM 608 O ALA A 39 -0.583 10.024 0.216 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.935 10.151 -2.809 1.00 -0.10 C ATOM 0 H ALA A 39 -2.487 11.651 -1.603 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.454 8.798 -2.145 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.235 9.354 -3.060 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.488 10.443 -3.702 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 -0.384 11.010 -2.426 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.243 7.896 -0.181 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.803 7.293 1.071 1.00 0.04 C ATOM 617 C ILE A 40 -0.067 5.970 0.807 1.00 0.62 C ATOM 618 O ILE A 40 -0.140 5.428 -0.295 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.012 7.134 2.027 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.287 6.525 1.404 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.409 8.505 2.591 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -3.234 5.012 1.199 1.00 -0.09 C ATOM 0 H ILE A 40 -1.621 7.211 -0.835 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.084 7.948 1.564 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.659 6.435 2.785 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -4.137 6.762 2.044 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -3.469 7.003 0.441 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.260 8.390 3.263 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -1.568 8.930 3.139 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -2.681 9.170 1.772 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.171 4.672 0.757 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -2.408 4.764 0.533 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -3.086 4.520 2.160 1.00 -0.09 H new ATOM 634 N GLU A 41 0.647 5.453 1.819 1.00 -0.46 N ATOM 635 CA GLU A 41 1.266 4.131 1.780 1.00 0.04 C ATOM 636 C GLU A 41 0.200 3.053 1.947 1.00 0.62 C ATOM 637 O GLU A 41 -0.844 3.297 2.548 1.00 -0.50 O ATOM 638 CB GLU A 41 2.287 3.962 2.919 1.00 -0.18 C ATOM 639 CG GLU A 41 3.542 4.829 2.790 1.00 -0.40 C ATOM 640 CD GLU A 41 4.355 4.544 1.525 1.00 0.71 C ATOM 641 OE1 GLU A 41 4.319 3.383 1.065 1.00 -0.72 O ATOM 642 OE2 GLU A 41 5.009 5.494 1.040 1.00 -0.72 O ATOM 0 H GLU A 41 0.809 5.951 2.694 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.770 4.034 0.818 1.00 0.04 H new ATOM 0 HB2 GLU A 41 1.797 4.195 3.865 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 2.589 2.916 2.965 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 3.250 5.879 2.796 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.175 4.669 3.663 1.00 -0.40 H new ATOM 649 N LEU A 42 0.501 1.845 1.463 1.00 -0.46 N ATOM 650 CA LEU A 42 -0.298 0.660 1.720 1.00 0.04 C ATOM 651 C LEU A 42 0.623 -0.555 1.709 1.00 0.62 C ATOM 652 O LEU A 42 1.497 -0.655 0.850 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.397 0.522 0.652 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.717 0.045 1.272 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -3.442 1.216 1.945 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.609 -0.581 0.197 1.00 -0.11 C ATOM 0 H LEU A 42 1.316 1.668 0.876 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.785 0.738 2.692 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.550 1.481 0.158 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.076 -0.184 -0.114 1.00 -0.06 H new ATOM 0 HG LEU A 42 -2.496 -0.709 2.028 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -4.377 0.863 2.381 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.810 1.632 2.730 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -3.655 1.986 1.204 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -4.543 -0.916 0.649 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.824 0.159 -0.574 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.097 -1.433 -0.250 1.00 -0.11 H new ATOM 668 N ASP A 43 0.430 -1.494 2.640 1.00 -0.46 N ATOM 669 CA ASP A 43 1.140 -2.767 2.594 1.00 0.04 C ATOM 670 C ASP A 43 0.625 -3.593 1.415 1.00 0.62 C ATOM 671 O ASP A 43 -0.426 -3.288 0.856 1.00 -0.50 O ATOM 672 CB ASP A 43 0.956 -3.532 3.908 1.00 -0.40 C ATOM 673 CG ASP A 43 1.440 -2.743 5.118 1.00 0.71 C ATOM 674 OD1 ASP A 43 2.670 -2.539 5.209 1.00 -0.72 O ATOM 675 OD2 ASP A 43 0.572 -2.361 5.934 1.00 -0.72 O ATOM 0 H ASP A 43 -0.209 -1.394 3.429 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.205 -2.579 2.460 1.00 0.04 H new ATOM 0 HB2 ASP A 43 -0.098 -3.777 4.037 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 1.498 -4.476 3.854 1.00 -0.40 H new ATOM 680 N HIS A 44 1.363 -4.648 1.054 1.00 -0.46 N ATOM 681 CA HIS A 44 0.938 -5.632 0.069 1.00 0.04 C ATOM 682 C HIS A 44 0.457 -6.889 0.796 1.00 0.62 C ATOM 683 O HIS A 44 -0.706 -7.270 0.677 1.00 -0.50 O ATOM 684 CB HIS A 44 2.094 -5.933 -0.886 1.00 -0.10 C ATOM 685 CG HIS A 44 1.784 -7.015 -1.888 1.00 -0.03 C ATOM 686 ND1 HIS A 44 1.878 -8.369 -1.662 1.00 -0.15 N ATOM 687 CD2 HIS A 44 1.413 -6.837 -3.195 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.575 -8.991 -2.812 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.277 -8.103 -3.775 1.00 -0.50 N ATOM 0 H HIS A 44 2.285 -4.840 1.447 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.111 -5.245 -0.526 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.360 -5.021 -1.420 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 2.967 -6.228 -0.304 1.00 -0.10 H new ATOM 0 HD2 HIS A 44 1.254 -5.890 -3.689 1.00 0.20 H new ATOM 0 HE1 HIS A 44 1.571 -10.063 -2.945 1.00 0.24 H new ATOM 0 HE2 HIS A 44 1.006 -8.310 -4.736 1.00 -0.50 H new ATOM 697 N ASP A 45 1.364 -7.532 1.540 1.00 -0.46 N ATOM 698 CA ASP A 45 1.099 -8.770 2.259 1.00 0.04 C ATOM 699 C ASP A 45 -0.026 -8.588 3.277 1.00 0.62 C ATOM 700 O ASP A 45 -1.014 -9.319 3.244 1.00 -0.50 O ATOM 701 CB ASP A 45 2.388 -9.237 2.944 1.00 -0.40 C ATOM 702 CG ASP A 45 2.157 -10.496 3.773 1.00 0.71 C ATOM 703 OD1 ASP A 45 2.169 -11.587 3.163 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.963 -10.342 4.999 1.00 -0.72 O ATOM 0 H ASP A 45 2.319 -7.195 1.657 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.771 -9.530 1.550 1.00 0.04 H new ATOM 0 HB2 ASP A 45 3.151 -9.431 2.191 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 2.768 -8.442 3.586 1.00 -0.40 H new ATOM 709 N LYS A 46 0.140 -7.619 4.187 1.00 -0.46 N ATOM 710 CA LYS A 46 -0.738 -7.429 5.331 1.00 0.04 C ATOM 711 C LYS A 46 -2.189 -7.223 4.889 1.00 0.62 C ATOM 712 O LYS A 46 -3.085 -7.877 5.417 1.00 -0.50 O ATOM 713 CB LYS A 46 -0.227 -6.256 6.181 1.00 -0.10 C ATOM 714 CG LYS A 46 -0.928 -6.120 7.540 1.00 -0.16 C ATOM 715 CD LYS A 46 -0.542 -7.252 8.501 1.00 -0.18 C ATOM 716 CE LYS A 46 -1.132 -7.002 9.892 1.00 -0.04 C ATOM 717 NZ LYS A 46 -0.740 -8.061 10.839 1.00 -0.14 N ATOM 0 H LYS A 46 0.900 -6.940 4.142 1.00 -0.46 H new ATOM 0 HA LYS A 46 -0.724 -8.330 5.944 1.00 0.04 H new ATOM 0 HB2 LYS A 46 0.843 -6.379 6.346 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -0.359 -5.330 5.621 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -0.669 -5.160 7.987 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -2.008 -6.122 7.393 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 -0.902 -8.205 8.113 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 0.543 -7.325 8.568 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -0.794 -6.035 10.264 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -2.219 -6.955 9.825 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -1.155 -7.863 11.772 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -1.084 -8.980 10.494 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 0.296 -8.088 10.920 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.419 -6.328 3.918 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.760 -6.039 3.428 1.00 0.04 C ATOM 733 C VAL A 47 -4.372 -7.212 2.665 1.00 0.62 C ATOM 734 O VAL A 47 -5.594 -7.280 2.591 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.810 -4.756 2.582 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -3.333 -3.544 3.387 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -3.018 -4.890 1.279 1.00 -0.09 C ATOM 0 H VAL A 47 -1.683 -5.792 3.458 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.368 -5.874 4.318 1.00 0.04 H new ATOM 0 HB VAL A 47 -4.854 -4.598 2.310 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -3.379 -2.652 2.763 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -3.974 -3.411 4.259 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.306 -3.705 3.713 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -3.083 -3.959 0.716 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -1.974 -5.103 1.508 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -3.432 -5.704 0.684 1.00 -0.09 H new ATOM 747 N MET A 48 -3.568 -8.124 2.092 1.00 -0.46 N ATOM 748 CA MET A 48 -4.097 -9.241 1.310 1.00 0.04 C ATOM 749 C MET A 48 -5.087 -10.066 2.147 1.00 0.62 C ATOM 750 O MET A 48 -6.129 -10.485 1.645 1.00 -0.50 O ATOM 751 CB MET A 48 -2.968 -10.115 0.734 1.00 -0.15 C ATOM 752 CG MET A 48 -3.282 -10.595 -0.693 1.00 -0.05 C ATOM 753 SD MET A 48 -4.845 -11.481 -0.945 1.00 0.74 S ATOM 754 CE MET A 48 -4.859 -11.676 -2.747 1.00 -0.13 C ATOM 0 H MET A 48 -2.550 -8.105 2.159 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.641 -8.830 0.459 1.00 0.04 H new ATOM 0 HB2 MET A 48 -2.037 -9.548 0.729 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -2.812 -10.978 1.381 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -3.277 -9.726 -1.351 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -2.469 -11.245 -1.017 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -5.780 -12.173 -3.052 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -4.802 -10.695 -3.220 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -4.003 -12.277 -3.055 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.775 -10.245 3.436 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.650 -10.868 4.422 1.00 0.04 C ATOM 766 C ASN A 49 -7.066 -10.277 4.387 1.00 0.62 C ATOM 767 O ASN A 49 -8.042 -11.022 4.442 1.00 -0.50 O ATOM 768 CB ASN A 49 -5.027 -10.704 5.813 1.00 -0.09 C ATOM 769 CG ASN A 49 -5.873 -11.360 6.901 1.00 0.68 C ATOM 770 OD1 ASN A 49 -6.558 -10.676 7.657 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -5.822 -12.691 6.988 1.00 -0.87 N ATOM 0 H ASN A 49 -3.880 -9.950 3.828 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.747 -11.927 4.182 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.029 -11.142 5.817 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -4.910 -9.643 6.035 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -6.365 -13.177 7.702 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -5.240 -13.222 6.340 1.00 -0.87 H new ATOM 778 N MET A 50 -7.171 -8.946 4.286 1.00 -0.46 N ATOM 779 CA MET A 50 -8.439 -8.238 4.196 1.00 0.04 C ATOM 780 C MET A 50 -9.021 -8.347 2.782 1.00 0.62 C ATOM 781 O MET A 50 -10.226 -8.540 2.640 1.00 -0.50 O ATOM 782 CB MET A 50 -8.274 -6.763 4.593 1.00 -0.15 C ATOM 783 CG MET A 50 -7.870 -6.555 6.058 1.00 -0.05 C ATOM 784 SD MET A 50 -6.125 -6.840 6.460 1.00 0.74 S ATOM 785 CE MET A 50 -6.104 -6.342 8.199 1.00 -0.13 C ATOM 0 H MET A 50 -6.360 -8.328 4.265 1.00 -0.46 H new ATOM 0 HA MET A 50 -9.134 -8.705 4.894 1.00 0.04 H new ATOM 0 HB2 MET A 50 -7.521 -6.306 3.950 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -9.212 -6.240 4.407 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -8.123 -5.533 6.341 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -8.476 -7.217 6.677 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -5.097 -6.458 8.599 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -6.410 -5.299 8.283 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -6.793 -6.968 8.765 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.177 -8.199 1.748 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.583 -8.211 0.347 1.00 0.04 C ATOM 797 C GLN A 51 -9.369 -9.480 0.026 1.00 0.62 C ATOM 798 O GLN A 51 -10.568 -9.405 -0.235 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.375 -8.072 -0.593 1.00 -0.10 C ATOM 800 CG GLN A 51 -6.721 -6.683 -0.547 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.475 -5.623 -1.350 1.00 0.68 C ATOM 802 OE1 GLN A 51 -8.565 -5.862 -1.864 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -6.878 -4.436 -1.473 1.00 -0.87 N ATOM 0 H GLN A 51 -7.174 -8.065 1.873 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.230 -7.349 0.184 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -6.631 -8.824 -0.330 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.693 -8.282 -1.614 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -6.651 -6.358 0.491 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -5.702 -6.758 -0.927 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -5.973 -4.272 -1.033 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -7.327 -3.692 -2.007 1.00 -0.87 H new ATOM 812 N ALA A 52 -8.677 -10.629 0.046 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.197 -11.947 -0.296 1.00 0.04 C ATOM 814 C ALA A 52 -9.677 -12.018 -1.751 1.00 0.62 C ATOM 815 O ALA A 52 -9.009 -12.623 -2.588 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.267 -12.394 0.712 1.00 -0.10 C ATOM 0 H ALA A 52 -7.693 -10.658 0.315 1.00 -0.46 H new ATOM 0 HA ALA A 52 -8.376 -12.660 -0.223 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -10.639 -13.380 0.434 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.831 -12.438 1.710 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.091 -11.681 0.708 1.00 -0.10 H new ATOM 822 N LYS A 53 -10.835 -11.414 -2.046 1.00 -0.46 N ATOM 823 CA LYS A 53 -11.456 -11.413 -3.361 1.00 0.04 C ATOM 824 C LYS A 53 -12.307 -10.141 -3.505 1.00 0.62 C ATOM 825 O LYS A 53 -11.750 -9.045 -3.559 1.00 -0.50 O ATOM 826 CB LYS A 53 -12.206 -12.744 -3.546 1.00 -0.10 C ATOM 827 CG LYS A 53 -12.605 -13.023 -5.001 1.00 -0.16 C ATOM 828 CD LYS A 53 -13.124 -14.461 -5.117 1.00 -0.18 C ATOM 829 CE LYS A 53 -13.333 -14.858 -6.581 1.00 -0.04 C ATOM 830 NZ LYS A 53 -13.776 -16.258 -6.698 1.00 -0.14 N ATOM 0 H LYS A 53 -11.375 -10.900 -1.350 1.00 -0.46 H new ATOM 0 HA LYS A 53 -10.732 -11.368 -4.175 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -11.578 -13.559 -3.187 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -13.103 -12.736 -2.927 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -13.374 -12.320 -5.321 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -11.748 -12.879 -5.659 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -12.416 -15.145 -4.650 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -14.064 -14.556 -4.574 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -14.074 -14.201 -7.036 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -12.403 -14.721 -7.133 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -13.131 -16.774 -7.330 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -13.771 -16.704 -5.758 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -14.739 -16.286 -7.089 1.00 -0.14 H new ATOM 844 N ALA A 54 -13.639 -10.263 -3.572 1.00 -0.46 N ATOM 845 CA ALA A 54 -14.548 -9.133 -3.735 1.00 0.04 C ATOM 846 C ALA A 54 -14.975 -8.538 -2.388 1.00 0.62 C ATOM 847 O ALA A 54 -15.269 -7.345 -2.315 1.00 -0.50 O ATOM 848 CB ALA A 54 -15.773 -9.582 -4.535 1.00 -0.10 C ATOM 0 H ALA A 54 -14.116 -11.162 -3.513 1.00 -0.46 H new ATOM 0 HA ALA A 54 -14.021 -8.347 -4.276 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -16.455 -8.741 -4.659 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -15.457 -9.940 -5.515 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.281 -10.385 -4.002 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.019 -9.375 -1.343 1.00 -0.46 N ATOM 855 CA GLU A 55 -15.563 -9.066 -0.026 1.00 0.04 C ATOM 856 C GLU A 55 -15.048 -7.741 0.549 1.00 0.62 C ATOM 857 O GLU A 55 -15.807 -7.023 1.196 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.257 -10.239 0.918 1.00 -0.18 C ATOM 859 CG GLU A 55 -16.047 -10.167 2.233 1.00 -0.40 C ATOM 860 CD GLU A 55 -17.553 -10.271 1.997 1.00 0.71 C ATOM 861 OE1 GLU A 55 -17.994 -11.389 1.654 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -18.232 -9.230 2.136 1.00 -0.72 O ATOM 0 H GLU A 55 -14.659 -10.327 -1.402 1.00 -0.46 H new ATOM 0 HA GLU A 55 -16.640 -8.934 -0.128 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -15.488 -11.176 0.412 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.190 -10.251 1.141 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.726 -10.972 2.894 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -15.823 -9.229 2.741 1.00 -0.40 H new ATOM 869 N PHE A 56 -13.768 -7.432 0.296 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.057 -6.240 0.747 1.00 0.04 C ATOM 871 C PHE A 56 -13.939 -4.990 0.780 1.00 0.62 C ATOM 872 O PHE A 56 -14.150 -4.400 1.837 1.00 -0.50 O ATOM 873 CB PHE A 56 -11.846 -6.012 -0.163 1.00 -0.10 C ATOM 874 CG PHE A 56 -10.885 -4.926 0.291 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.078 -5.129 1.425 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -10.690 -3.777 -0.501 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.007 -4.259 1.697 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -9.625 -2.902 -0.223 1.00 -0.15 C ATOM 879 CZ PHE A 56 -8.767 -3.157 0.860 1.00 -0.15 C ATOM 0 H PHE A 56 -13.173 -8.046 -0.261 1.00 -0.46 H new ATOM 0 HA PHE A 56 -12.739 -6.414 1.775 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.295 -6.949 -0.248 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.205 -5.762 -1.161 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -10.282 -5.956 2.089 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.359 -3.568 -1.322 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -8.369 -4.438 2.550 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.466 -2.032 -0.843 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -7.925 -2.507 1.048 1.00 -0.15 H new ATOM 889 N TYR A 57 -14.452 -4.608 -0.393 1.00 -0.46 N ATOM 890 CA TYR A 57 -15.277 -3.426 -0.596 1.00 0.04 C ATOM 891 C TYR A 57 -16.733 -3.683 -0.210 1.00 0.62 C ATOM 892 O TYR A 57 -17.397 -2.770 0.282 1.00 -0.50 O ATOM 893 CB TYR A 57 -15.150 -2.929 -2.044 1.00 -0.10 C ATOM 894 CG TYR A 57 -15.088 -4.000 -3.121 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -13.837 -4.514 -3.509 1.00 0.00 C ATOM 896 CD2 TYR A 57 -16.252 -4.437 -3.780 1.00 0.00 C ATOM 897 CE1 TYR A 57 -13.738 -5.420 -4.576 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -16.157 -5.359 -4.840 1.00 -0.26 C ATOM 899 CZ TYR A 57 -14.896 -5.835 -5.251 1.00 0.46 C ATOM 900 OH TYR A 57 -14.791 -6.719 -6.288 1.00 -0.53 O ATOM 0 H TYR A 57 -14.296 -5.134 -1.253 1.00 -0.46 H new ATOM 0 HA TYR A 57 -14.913 -2.639 0.064 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -15.998 -2.278 -2.258 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -14.251 -2.317 -2.118 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -12.946 -4.209 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.218 -4.065 -3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.772 -5.797 -4.877 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -17.052 -5.702 -5.339 1.00 -0.26 H new ATOM 0 HH TYR A 57 -15.682 -6.907 -6.649 1.00 -0.53 H new ATOM 910 N SER A 58 -17.227 -4.908 -0.438 1.00 -0.46 N ATOM 911 CA SER A 58 -18.616 -5.289 -0.220 1.00 0.04 C ATOM 912 C SER A 58 -19.123 -4.877 1.165 1.00 0.62 C ATOM 913 O SER A 58 -20.121 -4.163 1.258 1.00 -0.50 O ATOM 914 CB SER A 58 -18.779 -6.796 -0.433 1.00 0.02 C ATOM 915 OG SER A 58 -18.263 -7.169 -1.694 1.00 -0.55 O ATOM 0 H SER A 58 -16.652 -5.675 -0.787 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.226 -4.753 -0.947 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.260 -7.340 0.356 1.00 0.02 H new ATOM 0 HB3 SER A 58 -19.833 -7.068 -0.368 1.00 0.02 H new ATOM 0 HG SER A 58 -17.296 -7.311 -1.623 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.442 -5.316 2.234 1.00 -0.46 N ATOM 922 CA GLU A 59 -18.880 -5.059 3.603 1.00 0.04 C ATOM 923 C GLU A 59 -18.417 -3.704 4.158 1.00 0.62 C ATOM 924 O GLU A 59 -18.669 -3.435 5.331 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.474 -6.223 4.520 1.00 -0.18 C ATOM 926 CG GLU A 59 -16.958 -6.366 4.713 1.00 -0.40 C ATOM 927 CD GLU A 59 -16.654 -7.381 5.810 1.00 0.71 C ATOM 928 OE1 GLU A 59 -16.624 -6.956 6.985 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -16.455 -8.564 5.459 1.00 -0.72 O ATOM 0 H GLU A 59 -17.579 -5.855 2.169 1.00 -0.46 H new ATOM 0 HA GLU A 59 -19.968 -4.995 3.577 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -18.943 -6.085 5.494 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -18.867 -7.152 4.106 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -16.494 -6.682 3.778 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -16.526 -5.400 4.973 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.762 -2.855 3.345 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.208 -1.558 3.749 1.00 0.04 C ATOM 938 C VAL A 60 -15.980 -1.770 4.653 1.00 0.62 C ATOM 939 O VAL A 60 -15.831 -2.825 5.268 1.00 -0.50 O ATOM 940 CB VAL A 60 -18.294 -0.639 4.364 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.821 0.812 4.528 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -19.550 -0.602 3.479 1.00 -0.09 C ATOM 0 H VAL A 60 -17.601 -3.063 2.359 1.00 -0.46 H new ATOM 0 HA VAL A 60 -16.858 -1.024 2.866 1.00 0.04 H new ATOM 0 HB VAL A 60 -18.511 -1.065 5.344 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -18.623 1.409 4.963 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -16.951 0.839 5.184 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -17.553 1.220 3.553 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -20.296 0.050 3.933 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -19.288 -0.221 2.492 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -19.957 -1.608 3.383 1.00 -0.09 H new ATOM 952 N LEU A 61 -15.067 -0.792 4.711 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.824 -0.913 5.465 1.00 0.04 C ATOM 954 C LEU A 61 -13.314 0.453 5.936 1.00 0.62 C ATOM 955 O LEU A 61 -13.917 1.480 5.628 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.781 -1.708 4.663 1.00 -0.06 C ATOM 957 CG LEU A 61 -12.218 -1.021 3.407 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -10.997 -1.815 2.942 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -13.205 -0.976 2.233 1.00 -0.11 C ATOM 0 H LEU A 61 -15.174 0.103 4.235 1.00 -0.46 H new ATOM 0 HA LEU A 61 -14.022 -1.481 6.374 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.948 -1.945 5.325 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -13.229 -2.655 4.363 1.00 -0.06 H new ATOM 0 HG LEU A 61 -11.987 0.007 3.685 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -10.577 -1.348 2.051 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -10.247 -1.826 3.733 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -11.295 -2.838 2.710 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -12.738 -0.477 1.384 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -13.481 -1.992 1.950 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -14.098 -0.427 2.530 1.00 -0.11 H new ATOM 971 N THR A 62 -12.215 0.462 6.704 1.00 -0.46 N ATOM 972 CA THR A 62 -11.623 1.670 7.270 1.00 0.04 C ATOM 973 C THR A 62 -10.100 1.628 7.119 1.00 0.62 C ATOM 974 O THR A 62 -9.485 0.571 7.264 1.00 -0.50 O ATOM 975 CB THR A 62 -12.040 1.816 8.744 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.446 1.753 8.865 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.569 3.134 9.361 1.00 -0.19 C ATOM 0 H THR A 62 -11.708 -0.388 6.950 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.988 2.543 6.729 1.00 0.04 H new ATOM 0 HB THR A 62 -11.565 0.993 9.278 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.690 1.685 9.812 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.891 3.184 10.401 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.481 3.189 9.314 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.999 3.969 8.808 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.507 2.795 6.834 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.069 2.994 6.711 1.00 0.04 C ATOM 987 C ILE A 63 -7.622 3.899 7.857 1.00 0.62 C ATOM 988 O ILE A 63 -8.231 4.942 8.076 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.729 3.643 5.356 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.318 2.840 4.184 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.204 3.765 5.202 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.142 3.572 2.854 1.00 -0.09 C ATOM 0 H ILE A 63 -10.039 3.651 6.679 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.552 2.036 6.760 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.176 4.637 5.336 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -7.833 1.865 4.130 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.378 2.659 4.363 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -5.971 4.225 4.242 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.805 4.383 6.006 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.753 2.774 5.249 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.570 2.974 2.050 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.649 4.536 2.899 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.080 3.729 2.663 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.550 3.512 8.559 1.00 -0.46 N ATOM 1005 CA VAL A 64 -5.912 4.311 9.593 1.00 0.04 C ATOM 1006 C VAL A 64 -4.769 5.099 8.948 1.00 0.62 C ATOM 1007 O VAL A 64 -3.658 4.584 8.830 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.423 3.399 10.735 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.736 4.222 11.833 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.605 2.643 11.356 1.00 -0.09 C ATOM 0 H VAL A 64 -6.096 2.610 8.414 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.616 5.017 10.034 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.710 2.691 10.312 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.399 3.558 12.629 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.879 4.747 11.412 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.441 4.947 12.240 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -6.245 2.003 12.161 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.325 3.358 11.755 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -7.086 2.031 10.593 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.044 6.342 8.532 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.044 7.245 7.969 1.00 0.04 C ATOM 1022 C VAL A 65 -3.456 8.074 9.112 1.00 0.62 C ATOM 1023 O VAL A 65 -3.937 9.170 9.393 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.662 8.123 6.864 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -3.590 9.024 6.229 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.291 7.267 5.758 1.00 -0.09 C ATOM 0 H VAL A 65 -5.978 6.749 8.579 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.242 6.681 7.494 1.00 0.04 H new ATOM 0 HB VAL A 65 -5.435 8.732 7.333 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -4.044 9.637 5.451 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -3.158 9.670 6.994 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -2.807 8.405 5.792 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -5.718 7.916 4.994 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -4.526 6.633 5.309 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -6.076 6.642 6.184 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.426 7.537 9.779 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.755 8.170 10.913 1.00 0.04 C ATOM 1038 C ASP A 66 -2.765 8.607 11.979 1.00 0.62 C ATOM 1039 O ASP A 66 -2.856 9.786 12.319 1.00 -0.50 O ATOM 1040 CB ASP A 66 -0.869 9.334 10.440 1.00 -0.40 C ATOM 1041 CG ASP A 66 0.215 8.881 9.467 1.00 0.71 C ATOM 1042 OD1 ASP A 66 0.995 7.987 9.861 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 0.250 9.439 8.350 1.00 -0.72 O ATOM 0 H ASP A 66 -2.030 6.629 9.536 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.101 7.434 11.381 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -1.492 10.089 9.960 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -0.403 9.807 11.304 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.535 7.644 12.498 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.553 7.886 13.510 1.00 0.04 C ATOM 1050 C GLY A 67 -5.706 8.728 12.965 1.00 0.62 C ATOM 1051 O GLY A 67 -6.168 9.648 13.639 1.00 -0.50 O ATOM 0 H GLY A 67 -3.463 6.665 12.220 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.939 6.933 13.873 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.104 8.394 14.363 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.171 8.407 11.752 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.373 8.971 11.156 1.00 0.04 C ATOM 1057 C LYS A 68 -8.144 7.817 10.527 1.00 0.62 C ATOM 1058 O LYS A 68 -7.723 7.286 9.501 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.036 10.034 10.102 1.00 -0.10 C ATOM 1060 CG LYS A 68 -6.288 11.230 10.700 1.00 -0.16 C ATOM 1061 CD LYS A 68 -6.052 12.284 9.613 1.00 -0.18 C ATOM 1062 CE LYS A 68 -5.335 13.504 10.200 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -5.094 14.531 9.171 1.00 -0.14 N ATOM 0 H LYS A 68 -5.705 7.730 11.148 1.00 -0.46 H new ATOM 0 HA LYS A 68 -7.970 9.471 11.919 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.428 9.584 9.317 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -7.956 10.382 9.633 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -6.865 11.660 11.519 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -5.335 10.904 11.118 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -5.456 11.857 8.806 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -7.005 12.588 9.179 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -5.934 13.928 11.006 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -4.386 13.195 10.637 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -4.607 15.344 9.599 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -4.502 14.132 8.415 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -6.002 14.842 8.772 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.251 7.424 11.164 1.00 -0.46 N ATOM 1078 CA GLU A 69 -10.049 6.262 10.812 1.00 0.04 C ATOM 1079 C GLU A 69 -10.984 6.630 9.659 1.00 0.62 C ATOM 1080 O GLU A 69 -12.189 6.799 9.849 1.00 -0.50 O ATOM 1081 CB GLU A 69 -10.814 5.782 12.057 1.00 -0.18 C ATOM 1082 CG GLU A 69 -9.900 5.124 13.106 1.00 -0.40 C ATOM 1083 CD GLU A 69 -8.839 6.071 13.667 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -9.242 7.149 14.156 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -7.644 5.717 13.568 1.00 -0.72 O ATOM 0 H GLU A 69 -9.624 7.930 11.968 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.417 5.440 10.476 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.327 6.630 12.511 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.581 5.070 11.753 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -10.512 4.749 13.926 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.406 4.262 12.657 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.415 6.760 8.455 1.00 -0.46 N ATOM 1093 CA ILE A 70 -11.136 7.151 7.256 1.00 0.04 C ATOM 1094 C ILE A 70 -11.943 5.954 6.753 1.00 0.62 C ATOM 1095 O ILE A 70 -11.376 5.007 6.210 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.159 7.693 6.193 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.417 8.928 6.740 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.935 8.062 4.921 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -8.451 9.555 5.731 1.00 -0.09 C ATOM 0 H ILE A 70 -9.422 6.592 8.292 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.831 7.960 7.479 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.426 6.923 5.953 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -10.149 9.676 7.044 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.862 8.643 7.634 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.243 8.445 4.171 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.438 7.177 4.532 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.675 8.827 5.155 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -7.963 10.419 6.183 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -7.697 8.822 5.445 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -9.004 9.871 4.846 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.268 6.011 6.933 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.197 5.008 6.436 1.00 0.04 C ATOM 1113 C LYS A 71 -14.331 5.143 4.919 1.00 0.62 C ATOM 1114 O LYS A 71 -14.638 6.225 4.418 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.560 5.171 7.118 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.481 4.810 8.605 1.00 -0.16 C ATOM 1117 CD LYS A 71 -16.857 4.972 9.264 1.00 -0.18 C ATOM 1118 CE LYS A 71 -16.835 4.566 10.742 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -16.601 3.119 10.917 1.00 -0.14 N ATOM 0 H LYS A 71 -13.725 6.771 7.437 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.816 4.013 6.667 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.904 6.199 7.008 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -16.295 4.535 6.625 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -15.134 3.783 8.719 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -14.753 5.450 9.104 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -17.181 6.009 9.177 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -17.588 4.364 8.731 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -16.055 5.124 11.259 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -17.783 4.838 11.206 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -16.745 2.862 11.915 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -17.267 2.585 10.323 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -15.626 2.889 10.637 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.097 4.040 4.200 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.167 3.961 2.747 1.00 0.04 C ATOM 1135 C VAL A 72 -15.027 2.763 2.342 1.00 0.62 C ATOM 1136 O VAL A 72 -15.128 1.792 3.087 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.756 3.874 2.136 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.926 5.116 2.473 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -12.003 2.620 2.589 1.00 -0.09 C ATOM 0 H VAL A 72 -13.846 3.151 4.633 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.631 4.868 2.359 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.895 3.817 1.056 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.936 5.024 2.027 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.421 6.003 2.077 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.830 5.207 3.555 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -11.014 2.604 2.131 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.901 2.629 3.674 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.558 1.733 2.284 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.625 2.835 1.149 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.257 1.707 0.476 1.00 0.04 C ATOM 1151 C LYS A 73 -15.332 1.208 -0.636 1.00 0.62 C ATOM 1152 O LYS A 73 -15.150 0.003 -0.776 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.633 2.119 -0.066 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.323 0.935 -0.764 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.740 1.269 -1.246 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.739 1.390 -0.088 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -22.116 1.564 -0.582 1.00 -0.14 N ATOM 0 H LYS A 73 -15.682 3.702 0.615 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.419 0.891 1.180 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -18.258 2.479 0.751 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.520 2.945 -0.768 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -17.720 0.620 -1.616 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -18.368 0.091 -0.076 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -19.720 2.205 -1.804 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -20.078 0.495 -1.935 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.685 0.498 0.536 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -20.467 2.237 0.542 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -22.767 1.643 0.225 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -22.172 2.429 -1.157 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -22.383 0.744 -1.163 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.762 2.144 -1.413 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.860 1.897 -2.535 1.00 0.04 C ATOM 1173 C ALA A 74 -14.609 1.485 -3.801 1.00 0.62 C ATOM 1174 O ALA A 74 -15.729 0.982 -3.731 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.755 0.898 -2.176 1.00 -0.10 C ATOM 0 H ALA A 74 -14.930 3.139 -1.263 1.00 -0.46 H new ATOM 0 HA ALA A 74 -13.372 2.847 -2.754 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.108 0.745 -3.040 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.166 1.290 -1.347 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.204 -0.052 -1.886 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.978 1.726 -4.959 1.00 -0.46 N ATOM 1182 CA GLN A 75 -14.521 1.426 -6.278 1.00 0.04 C ATOM 1183 C GLN A 75 -13.500 0.599 -7.061 1.00 0.62 C ATOM 1184 O GLN A 75 -13.648 -0.621 -7.134 1.00 -0.50 O ATOM 1185 CB GLN A 75 -14.912 2.726 -6.999 1.00 -0.10 C ATOM 1186 CG GLN A 75 -16.102 3.445 -6.345 1.00 -0.10 C ATOM 1187 CD GLN A 75 -17.423 2.704 -6.543 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -18.122 2.931 -7.527 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -17.786 1.825 -5.605 1.00 -0.87 N ATOM 0 H GLN A 75 -13.050 2.147 -4.998 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.432 0.834 -6.190 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -14.054 3.398 -7.015 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -15.158 2.499 -8.036 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.910 3.558 -5.278 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -16.188 4.449 -6.761 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -17.182 1.660 -4.800 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -18.667 1.319 -5.694 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.467 1.238 -7.633 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.429 0.531 -8.375 1.00 0.04 C ATOM 1200 C ASP A 76 -10.415 -0.060 -7.393 1.00 0.62 C ATOM 1201 O ASP A 76 -9.323 0.471 -7.189 1.00 -0.50 O ATOM 1202 CB ASP A 76 -10.785 1.433 -9.438 1.00 -0.40 C ATOM 1203 CG ASP A 76 -9.729 0.697 -10.271 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -9.801 -0.551 -10.338 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -8.869 1.397 -10.846 1.00 -0.72 O ATOM 0 H ASP A 76 -12.335 2.249 -7.591 1.00 -0.46 H new ATOM 0 HA ASP A 76 -11.876 -0.296 -8.927 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -11.560 1.820 -10.100 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.324 2.292 -8.950 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.809 -1.188 -6.798 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.961 -2.047 -5.994 1.00 0.04 C ATOM 1212 C VAL A 77 -9.310 -3.028 -6.966 1.00 0.62 C ATOM 1213 O VAL A 77 -9.831 -4.122 -7.189 1.00 -0.50 O ATOM 1214 CB VAL A 77 -10.817 -2.740 -4.919 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -9.979 -3.652 -4.011 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -11.511 -1.685 -4.045 1.00 -0.09 C ATOM 0 H VAL A 77 -11.766 -1.534 -6.871 1.00 -0.46 H new ATOM 0 HA VAL A 77 -9.184 -1.502 -5.458 1.00 0.04 H new ATOM 0 HB VAL A 77 -11.551 -3.354 -5.441 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.626 -4.119 -3.268 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -9.501 -4.425 -4.613 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -9.215 -3.060 -3.506 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -12.115 -2.182 -3.286 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -10.759 -1.063 -3.560 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -12.152 -1.061 -4.668 1.00 -0.09 H new ATOM 1226 N GLN A 78 -8.186 -2.618 -7.570 1.00 -0.46 N ATOM 1227 CA GLN A 78 -7.512 -3.374 -8.619 1.00 0.04 C ATOM 1228 C GLN A 78 -6.634 -4.469 -8.001 1.00 0.62 C ATOM 1229 O GLN A 78 -5.419 -4.501 -8.201 1.00 -0.50 O ATOM 1230 CB GLN A 78 -6.736 -2.399 -9.520 1.00 -0.10 C ATOM 1231 CG GLN A 78 -6.446 -2.985 -10.905 1.00 -0.10 C ATOM 1232 CD GLN A 78 -5.643 -2.005 -11.757 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -4.524 -2.309 -12.165 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -6.208 -0.827 -12.027 1.00 -0.87 N ATOM 0 H GLN A 78 -7.719 -1.742 -7.337 1.00 -0.46 H new ATOM 0 HA GLN A 78 -8.236 -3.890 -9.250 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -7.309 -1.478 -9.631 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -5.796 -2.133 -9.037 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -5.893 -3.919 -10.800 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -7.384 -3.224 -11.406 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -7.139 -0.614 -11.669 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -5.709 -0.139 -12.591 1.00 -0.87 H new ATOM 1243 N ARG A 79 -7.271 -5.378 -7.250 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.641 -6.547 -6.659 1.00 0.04 C ATOM 1245 C ARG A 79 -6.720 -7.733 -7.619 1.00 0.62 C ATOM 1246 O ARG A 79 -7.466 -7.698 -8.598 1.00 -0.50 O ATOM 1247 CB ARG A 79 -7.239 -6.850 -5.270 1.00 -0.08 C ATOM 1248 CG ARG A 79 -8.745 -7.150 -5.189 1.00 -0.10 C ATOM 1249 CD ARG A 79 -9.165 -8.486 -5.821 1.00 -0.23 C ATOM 1250 NE ARG A 79 -9.826 -8.275 -7.117 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -11.124 -7.970 -7.293 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -11.980 -7.926 -6.260 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -11.572 -7.701 -8.526 1.00 -0.62 N ATOM 0 H ARG A 79 -8.266 -5.310 -7.036 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.583 -6.343 -6.496 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -6.704 -7.704 -4.854 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -7.032 -5.998 -4.623 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -9.047 -7.148 -4.142 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -9.290 -6.344 -5.680 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -8.288 -9.119 -5.956 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -9.840 -9.014 -5.147 1.00 -0.23 H new ATOM 0 HE ARG A 79 -9.251 -8.368 -7.954 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -11.650 -8.126 -5.316 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -12.960 -7.692 -6.419 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -10.931 -7.729 -9.319 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -12.554 -7.468 -8.672 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.959 -8.792 -7.317 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.980 -10.044 -8.056 1.00 0.04 C ATOM 1269 C HIS A 80 -6.091 -11.190 -7.044 1.00 0.62 C ATOM 1270 O HIS A 80 -5.216 -11.312 -6.186 1.00 -0.50 O ATOM 1271 CB HIS A 80 -4.708 -10.153 -8.905 1.00 -0.10 C ATOM 1272 CG HIS A 80 -4.773 -11.251 -9.935 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.939 -12.593 -9.685 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -4.751 -11.085 -11.295 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -5.024 -13.219 -10.871 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -4.906 -12.344 -11.882 1.00 -0.50 N ATOM 0 H HIS A 80 -5.302 -8.795 -6.537 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.832 -10.091 -8.735 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -4.532 -9.202 -9.408 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.855 -10.329 -8.249 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -4.989 -13.033 -8.766 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -4.635 -10.148 -11.820 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -5.168 -14.282 -10.994 1.00 0.24 H new ATOM 1284 N PRO A 81 -7.148 -12.019 -7.099 1.00 -0.23 N ATOM 1285 CA PRO A 81 -7.333 -13.132 -6.179 1.00 0.04 C ATOM 1286 C PRO A 81 -6.484 -14.331 -6.609 1.00 0.53 C ATOM 1287 O PRO A 81 -5.948 -14.354 -7.716 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.826 -13.454 -6.252 1.00 -0.12 C ATOM 1289 CG PRO A 81 -9.165 -13.133 -7.707 1.00 -0.12 C ATOM 1290 CD PRO A 81 -8.278 -11.927 -8.012 1.00 -0.01 C ATOM 0 HA PRO A 81 -7.021 -12.889 -5.163 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -9.028 -14.497 -6.009 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.406 -12.847 -5.557 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.945 -13.972 -8.367 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -10.222 -12.898 -7.832 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -7.944 -11.941 -9.049 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.823 -10.995 -7.865 1.00 -0.01 H new ATOM 1298 N TYR A 82 -6.379 -15.329 -5.723 1.00 -0.46 N ATOM 1299 CA TYR A 82 -5.643 -16.575 -5.919 1.00 0.04 C ATOM 1300 C TYR A 82 -4.135 -16.325 -5.827 1.00 0.62 C ATOM 1301 O TYR A 82 -3.494 -16.766 -4.875 1.00 -0.50 O ATOM 1302 CB TYR A 82 -6.046 -17.298 -7.221 1.00 -0.10 C ATOM 1303 CG TYR A 82 -7.525 -17.259 -7.567 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -8.489 -17.670 -6.627 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -7.938 -16.788 -8.828 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -9.857 -17.601 -6.943 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -9.304 -16.735 -9.149 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -10.265 -17.143 -8.208 1.00 0.46 C ATOM 1309 OH TYR A 82 -11.592 -17.101 -8.525 1.00 -0.53 O ATOM 0 H TYR A 82 -6.828 -15.283 -4.808 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.916 -17.255 -5.112 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -5.487 -16.858 -8.047 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -5.737 -18.341 -7.146 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -8.177 -18.039 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.202 -16.467 -9.550 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.595 -17.900 -6.213 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -9.617 -16.380 -10.120 1.00 -0.26 H new ATOM 0 HH TYR A 82 -11.700 -16.759 -9.437 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.586 -15.598 -6.808 1.00 -0.46 N ATOM 1320 CA LYS A 83 -2.221 -15.095 -6.831 1.00 0.04 C ATOM 1321 C LYS A 83 -2.285 -13.572 -6.656 1.00 0.62 C ATOM 1322 O LYS A 83 -3.046 -12.920 -7.371 1.00 -0.50 O ATOM 1323 CB LYS A 83 -1.512 -15.531 -8.126 1.00 -0.10 C ATOM 1324 CG LYS A 83 -2.149 -15.022 -9.431 1.00 -0.16 C ATOM 1325 CD LYS A 83 -1.455 -13.777 -10.004 1.00 -0.18 C ATOM 1326 CE LYS A 83 -0.147 -14.141 -10.717 1.00 -0.04 C ATOM 1327 NZ LYS A 83 0.503 -12.949 -11.290 1.00 -0.14 N ATOM 0 H LYS A 83 -4.112 -15.336 -7.642 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.627 -15.511 -6.017 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -0.478 -15.187 -8.088 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -1.484 -16.620 -8.156 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -2.122 -15.819 -10.175 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -3.199 -14.792 -9.249 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -2.124 -13.275 -10.703 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 -1.248 -13.072 -9.199 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 0.531 -14.624 -10.013 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -0.351 -14.862 -11.509 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 1.385 -13.229 -11.765 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 -0.135 -12.503 -11.979 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 0.719 -12.272 -10.530 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.541 -12.988 -5.702 1.00 -0.23 N ATOM 1342 CA PRO A 84 -1.647 -11.576 -5.370 1.00 0.04 C ATOM 1343 C PRO A 84 -0.902 -10.710 -6.387 1.00 0.53 C ATOM 1344 O PRO A 84 0.076 -11.150 -6.990 1.00 -0.50 O ATOM 1345 CB PRO A 84 -1.024 -11.452 -3.979 1.00 -0.12 C ATOM 1346 CG PRO A 84 0.053 -12.534 -3.993 1.00 -0.12 C ATOM 1347 CD PRO A 84 -0.613 -13.651 -4.797 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.681 -11.230 -5.388 1.00 0.04 H new ATOM 0 HB2 PRO A 84 -0.600 -10.462 -3.812 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -1.757 -11.622 -3.191 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 0.972 -12.186 -4.465 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 0.315 -12.859 -2.986 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.127 -14.229 -5.350 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -1.136 -14.347 -4.141 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.373 -9.468 -6.552 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.736 -8.432 -7.356 1.00 0.04 C ATOM 1357 C LYS A 85 -0.866 -7.098 -6.621 1.00 0.62 C ATOM 1358 O LYS A 85 0.141 -6.484 -6.282 1.00 -0.50 O ATOM 1359 CB LYS A 85 -1.384 -8.344 -8.749 1.00 -0.10 C ATOM 1360 CG LYS A 85 -0.908 -9.439 -9.716 1.00 -0.16 C ATOM 1361 CD LYS A 85 0.475 -9.106 -10.297 1.00 -0.18 C ATOM 1362 CE LYS A 85 0.353 -8.218 -11.542 1.00 -0.04 C ATOM 1363 NZ LYS A 85 1.614 -7.515 -11.831 1.00 -0.14 N ATOM 0 H LYS A 85 -2.237 -9.152 -6.112 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.317 -8.677 -7.498 1.00 0.04 H new ATOM 0 HB2 LYS A 85 -2.467 -8.410 -8.642 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -1.165 -7.368 -9.182 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 -0.865 -10.395 -9.194 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 -1.628 -9.550 -10.526 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 1.077 -8.599 -9.543 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 0.996 -10.028 -10.554 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 0.072 -8.829 -12.400 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 -0.445 -7.490 -11.394 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 1.688 -7.341 -12.854 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 1.630 -6.608 -11.323 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 2.416 -8.100 -11.521 1.00 -0.14 H new ATOM 1377 N LEU A 86 -2.113 -6.663 -6.392 1.00 -0.46 N ATOM 1378 CA LEU A 86 -2.450 -5.409 -5.731 1.00 0.04 C ATOM 1379 C LEU A 86 -1.722 -4.237 -6.397 1.00 0.62 C ATOM 1380 O LEU A 86 -0.890 -3.577 -5.775 1.00 -0.50 O ATOM 1381 CB LEU A 86 -2.164 -5.485 -4.220 1.00 -0.06 C ATOM 1382 CG LEU A 86 -2.693 -6.741 -3.509 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -2.445 -6.574 -2.008 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -4.186 -6.967 -3.754 1.00 -0.11 C ATOM 0 H LEU A 86 -2.936 -7.196 -6.673 1.00 -0.46 H new ATOM 0 HA LEU A 86 -3.520 -5.235 -5.843 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -1.086 -5.430 -4.069 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -2.598 -4.607 -3.741 1.00 -0.06 H new ATOM 0 HG LEU A 86 -2.169 -7.609 -3.908 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -2.812 -7.453 -1.479 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -1.376 -6.461 -1.826 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -2.970 -5.689 -1.649 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -4.509 -7.867 -3.230 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -4.749 -6.110 -3.385 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -4.365 -7.086 -4.823 1.00 -0.11 H new ATOM 1396 N GLN A 87 -2.022 -4.001 -7.679 1.00 -0.46 N ATOM 1397 CA GLN A 87 -1.337 -3.005 -8.493 1.00 0.04 C ATOM 1398 C GLN A 87 -1.525 -1.607 -7.905 1.00 0.62 C ATOM 1399 O GLN A 87 -0.546 -0.914 -7.632 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.855 -3.065 -9.937 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.489 -4.382 -10.633 1.00 -0.10 C ATOM 1402 CD GLN A 87 0.022 -4.556 -10.776 1.00 0.68 C ATOM 1403 OE1 GLN A 87 0.626 -5.388 -10.100 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 0.641 -3.778 -11.665 1.00 -0.87 N ATOM 0 H GLN A 87 -2.755 -4.503 -8.180 1.00 -0.46 H new ATOM 0 HA GLN A 87 -0.270 -3.226 -8.496 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.938 -2.946 -9.937 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -1.442 -2.230 -10.504 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -1.897 -5.218 -10.065 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -1.952 -4.411 -11.619 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 0.107 -3.099 -12.208 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 1.648 -3.862 -11.802 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.783 -1.204 -7.714 1.00 -0.46 N ATOM 1414 CA HIS A 88 -3.148 0.076 -7.132 1.00 0.04 C ATOM 1415 C HIS A 88 -4.559 -0.039 -6.560 1.00 0.62 C ATOM 1416 O HIS A 88 -5.339 -0.870 -7.020 1.00 -0.50 O ATOM 1417 CB HIS A 88 -3.067 1.172 -8.199 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.197 2.551 -7.612 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.361 3.277 -7.497 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.203 3.252 -6.985 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.062 4.401 -6.825 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -2.762 4.433 -6.492 1.00 -0.50 N ATOM 0 H HIS A 88 -3.589 -1.776 -7.967 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.460 0.343 -6.330 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.117 1.092 -8.727 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.855 1.017 -8.936 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.278 3.011 -7.855 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.172 2.947 -6.889 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -4.774 5.177 -6.584 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.883 0.780 -5.553 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.208 0.823 -4.951 1.00 0.04 C ATOM 1432 C ILE A 89 -6.650 2.284 -4.894 1.00 0.62 C ATOM 1433 O ILE A 89 -5.988 3.110 -4.263 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.198 0.173 -3.553 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.613 -1.252 -3.529 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -7.615 0.174 -2.969 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -6.467 -2.312 -4.226 1.00 -0.09 C ATOM 0 H ILE A 89 -4.223 1.435 -5.134 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.917 0.252 -5.551 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.533 0.779 -2.938 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -4.629 -1.233 -3.998 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -5.465 -1.551 -2.491 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -7.602 -0.287 -1.981 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -7.974 1.200 -2.886 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.279 -0.391 -3.624 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -5.973 -3.281 -4.156 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -7.443 -2.367 -3.744 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.595 -2.044 -5.275 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.770 2.592 -5.557 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.384 3.909 -5.559 1.00 0.04 C ATOM 1451 C ASP A 90 -9.599 3.850 -4.636 1.00 0.62 C ATOM 1452 O ASP A 90 -10.717 3.580 -5.078 1.00 -0.50 O ATOM 1453 CB ASP A 90 -8.751 4.318 -6.990 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.516 4.403 -7.881 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -7.065 3.330 -8.339 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.025 5.537 -8.074 1.00 -0.72 O ATOM 0 H ASP A 90 -8.281 1.911 -6.118 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.696 4.670 -5.191 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.453 3.596 -7.407 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.257 5.283 -6.975 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.365 4.082 -3.341 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.405 4.079 -2.326 1.00 0.04 C ATOM 1463 C PHE A 91 -11.320 5.293 -2.499 1.00 0.62 C ATOM 1464 O PHE A 91 -10.923 6.294 -3.091 1.00 -0.50 O ATOM 1465 CB PHE A 91 -9.783 4.079 -0.929 1.00 -0.10 C ATOM 1466 CG PHE A 91 -8.871 2.911 -0.620 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.422 1.714 -0.125 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.472 3.083 -0.627 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -8.585 0.716 0.403 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.636 2.077 -0.110 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.193 0.902 0.424 1.00 -0.15 C ATOM 0 H PHE A 91 -8.435 4.279 -2.971 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.001 3.174 -2.442 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.217 5.002 -0.803 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.587 4.094 -0.193 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.491 1.562 -0.151 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.042 3.988 -1.030 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.013 -0.196 0.793 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.564 2.208 -0.123 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -6.552 0.144 0.849 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.547 5.193 -1.977 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.572 6.222 -2.067 1.00 0.04 C ATOM 1483 C VAL A 92 -14.314 6.243 -0.732 1.00 0.62 C ATOM 1484 O VAL A 92 -14.703 5.180 -0.250 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.538 5.921 -3.232 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.596 7.027 -3.354 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -13.798 5.806 -4.572 1.00 -0.09 C ATOM 0 H VAL A 92 -12.857 4.366 -1.466 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.125 7.196 -2.265 1.00 0.04 H new ATOM 0 HB VAL A 92 -15.014 4.966 -3.008 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.268 6.798 -4.181 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -16.167 7.088 -2.428 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -15.104 7.982 -3.540 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -14.514 5.594 -5.366 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -13.286 6.744 -4.787 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -13.068 4.999 -4.516 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.503 7.437 -0.151 1.00 -0.46 N ATOM 1498 CA ARG A 93 -15.225 7.660 1.102 1.00 0.04 C ATOM 1499 C ARG A 93 -16.534 6.867 1.169 1.00 0.62 C ATOM 1500 O ARG A 93 -17.272 6.791 0.187 1.00 -0.50 O ATOM 1501 CB ARG A 93 -15.534 9.156 1.261 1.00 -0.08 C ATOM 1502 CG ARG A 93 -14.333 9.983 1.740 1.00 -0.10 C ATOM 1503 CD ARG A 93 -14.117 9.857 3.252 1.00 -0.23 C ATOM 1504 NE ARG A 93 -13.090 10.802 3.713 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -12.909 11.190 4.987 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -13.671 10.692 5.973 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -11.948 12.076 5.277 1.00 -0.62 N ATOM 0 H ARG A 93 -14.144 8.301 -0.558 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.583 7.313 1.912 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -15.879 9.551 0.305 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -16.353 9.276 1.970 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -13.435 9.655 1.217 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -14.488 11.031 1.482 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -15.054 10.048 3.775 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.817 8.838 3.497 1.00 -0.23 H new ATOM 0 HE ARG A 93 -12.464 11.195 3.010 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -14.399 10.010 5.760 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -13.522 10.996 6.935 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -11.359 12.452 4.533 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -11.805 12.375 6.241 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.822 6.290 2.342 1.00 -0.46 N ATOM 1522 CA ALA A 94 -18.046 5.542 2.591 1.00 0.04 C ATOM 1523 C ALA A 94 -19.251 6.481 2.610 1.00 0.62 C ATOM 1524 O ALA A 94 -19.159 7.621 3.064 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.927 4.784 3.915 1.00 -0.10 C ATOM 0 H ALA A 94 -16.200 6.334 3.150 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.194 4.821 1.787 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.845 4.225 4.098 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.086 4.093 3.864 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.766 5.493 4.727 1.00 -0.10 H new TER 1531 ALA A 94