USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 972 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 58 ASN : amide:sc= -0.97 K(o=0.31,f=-1.4) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.817) USER MOD Set 2.1: A 59 THR OG1 : rot -138:sc= 0.526 USER MOD Set 2.2: A 93 LYS NZ :NH3+ -169:sc= 0.398 (180deg=-0.503) USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= 1.53 USER MOD Set 3.2: A 12 THR OG1 : rot 83:sc= 1.04 USER MOD Set 4.1: A 6 GLN : amide:sc= 0.56 K(o=1.8,f=-2.6) USER MOD Set 4.2: A 13 CYS SG : rot 38:sc= 1.27 USER MOD Single : A 1 MET CE :methyl -118:sc= -0.301 (180deg=-1.35) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.397 (180deg=0.188) USER MOD Single : A 3 LYS NZ :NH3+ 144:sc= 0.71 (180deg=0.122) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= 0.311 (180deg=0.0292) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.476 (180deg=0.419) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -39:sc= -0.0207 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 40 ASN : amide:sc=-0.00426 X(o=-0.0043,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ 129:sc= 1.26 (180deg=-0.0142) USER MOD Single : A 44 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 48 ASN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD Single : A 49 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 54 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.7!) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.254 (180deg=-0.847) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 130:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc=-0.00643 (180deg=-1.63!) USER MOD Single : A 74 GLN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 75 THR OG1 : rot -24:sc= 0.497 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0.686 (180deg=0.686) USER MOD Single : A 86 SER OG : rot 79:sc= 0.919 USER MOD Single : A 87 SER OG : rot 73:sc= 1.06 USER MOD Single : A 90 MET CE :methyl -162:sc= -1.07 (180deg=-1.65) USER MOD Single : A 99 MET CE :methyl -118:sc= -0.716 (180deg=-1.63) USER MOD Single : A 102 LYS NZ :NH3+ -129:sc= 1.02 (180deg=-0.0604) USER MOD Single : A 104 THR OG1 : rot -80:sc= -0.204 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.034) USER MOD Single : A 112 TYR OH : rot 73:sc= 0.778 USER MOD Single : A 113 LYS NZ :NH3+ 163:sc= 0.648 (180deg=0.519) USER MOD Single : A 115 THR OG1 : rot 85:sc= 0.787 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.718 -0.760 1.219 1.00 0.00 N ATOM 2 CA MET A 1 2.047 -0.822 -0.227 1.00 0.00 C ATOM 3 C MET A 1 3.273 -1.729 -0.449 1.00 0.00 C ATOM 4 O MET A 1 3.648 -2.482 0.460 1.00 0.00 O ATOM 5 CB MET A 1 2.246 0.618 -0.786 1.00 0.00 C ATOM 6 CG MET A 1 3.318 1.468 -0.088 1.00 0.00 C ATOM 7 SD MET A 1 3.291 3.193 -0.643 1.00 0.00 S ATOM 8 CE MET A 1 4.361 4.001 0.546 1.00 0.00 C ATOM 0 H1 MET A 1 1.124 0.073 1.404 1.00 0.00 H new ATOM 0 H2 MET A 1 1.204 -1.621 1.495 1.00 0.00 H new ATOM 0 H3 MET A 1 2.596 -0.689 1.772 1.00 0.00 H new ATOM 0 HA MET A 1 1.221 -1.267 -0.782 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.500 0.544 -1.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.294 1.146 -0.723 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.162 1.432 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.302 1.041 -0.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.792 4.748 1.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.759 3.260 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.185 4.487 0.023 1.00 0.00 H new ATOM 18 N ILE A 2 3.861 -1.677 -1.670 1.00 0.00 N ATOM 19 CA ILE A 2 5.011 -2.525 -2.077 1.00 0.00 C ATOM 20 C ILE A 2 6.158 -2.448 -1.055 1.00 0.00 C ATOM 21 O ILE A 2 6.884 -1.468 -1.018 1.00 0.00 O ATOM 22 CB ILE A 2 5.523 -2.110 -3.515 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.391 -2.344 -4.568 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.835 -2.845 -3.918 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.684 -1.818 -5.960 1.00 0.00 C ATOM 0 H ILE A 2 3.549 -1.042 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 2 4.666 -3.558 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 2 5.769 -1.049 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.195 -3.414 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.477 -1.875 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.141 -2.523 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.621 -2.606 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.663 -3.921 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.838 -2.030 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.847 -0.741 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.577 -2.304 -6.352 1.00 0.00 H new ATOM 37 N LYS A 3 6.277 -3.500 -0.233 1.00 0.00 N ATOM 38 CA LYS A 3 7.260 -3.591 0.866 1.00 0.00 C ATOM 39 C LYS A 3 8.708 -3.530 0.327 1.00 0.00 C ATOM 40 O LYS A 3 9.322 -4.559 0.017 1.00 0.00 O ATOM 41 CB LYS A 3 7.035 -4.904 1.655 1.00 0.00 C ATOM 42 CG LYS A 3 5.591 -5.133 2.137 1.00 0.00 C ATOM 43 CD LYS A 3 5.164 -4.150 3.237 1.00 0.00 C ATOM 44 CE LYS A 3 3.745 -4.420 3.758 1.00 0.00 C ATOM 45 NZ LYS A 3 3.442 -3.575 4.941 1.00 0.00 N ATOM 0 H LYS A 3 5.685 -4.327 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 3 7.117 -2.739 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.330 -5.744 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.696 -4.908 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.912 -5.039 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.496 -6.152 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.869 -4.212 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.216 -3.133 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.020 -4.220 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.645 -5.472 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.443 -3.289 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.626 -4.116 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.045 -2.728 4.926 1.00 0.00 H new ATOM 59 N PHE A 4 9.206 -2.298 0.173 1.00 0.00 N ATOM 60 CA PHE A 4 10.548 -2.030 -0.347 1.00 0.00 C ATOM 61 C PHE A 4 11.545 -2.055 0.820 1.00 0.00 C ATOM 62 O PHE A 4 11.738 -1.048 1.520 1.00 0.00 O ATOM 63 CB PHE A 4 10.572 -0.674 -1.112 1.00 0.00 C ATOM 64 CG PHE A 4 11.948 -0.266 -1.652 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.600 -1.041 -2.612 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.592 0.890 -1.200 1.00 0.00 C ATOM 67 CE1 PHE A 4 13.845 -0.679 -3.096 1.00 0.00 C ATOM 68 CE2 PHE A 4 13.835 1.249 -1.685 1.00 0.00 C ATOM 69 CZ PHE A 4 14.461 0.467 -2.635 1.00 0.00 C ATOM 0 H PHE A 4 8.684 -1.454 0.408 1.00 0.00 H new ATOM 0 HA PHE A 4 10.837 -2.800 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.872 -0.731 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.212 0.110 -0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.126 -1.937 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.110 1.512 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.335 -1.294 -3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.318 2.143 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.431 0.751 -3.017 1.00 0.00 H new ATOM 79 N TYR A 5 12.118 -3.239 1.054 1.00 0.00 N ATOM 80 CA TYR A 5 13.151 -3.434 2.066 1.00 0.00 C ATOM 81 C TYR A 5 14.516 -3.003 1.511 1.00 0.00 C ATOM 82 O TYR A 5 14.956 -3.482 0.466 1.00 0.00 O ATOM 83 CB TYR A 5 13.156 -4.894 2.553 1.00 0.00 C ATOM 84 CG TYR A 5 11.940 -5.248 3.427 1.00 0.00 C ATOM 85 CD1 TYR A 5 11.931 -4.958 4.794 1.00 0.00 C ATOM 86 CD2 TYR A 5 10.804 -5.859 2.891 1.00 0.00 C ATOM 87 CE1 TYR A 5 10.841 -5.264 5.582 1.00 0.00 C ATOM 88 CE2 TYR A 5 9.713 -6.165 3.679 1.00 0.00 C ATOM 89 CZ TYR A 5 9.738 -5.866 5.024 1.00 0.00 C ATOM 90 OH TYR A 5 8.649 -6.168 5.816 1.00 0.00 O ATOM 0 H TYR A 5 11.876 -4.089 0.544 1.00 0.00 H new ATOM 0 HA TYR A 5 12.935 -2.808 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.179 -5.558 1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.068 -5.077 3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.793 -4.486 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.779 -6.097 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.854 -5.031 6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.844 -6.636 3.244 1.00 0.00 H new ATOM 0 HH TYR A 5 7.953 -6.589 5.269 1.00 0.00 H new ATOM 100 N GLN A 6 15.158 -2.068 2.213 1.00 0.00 N ATOM 101 CA GLN A 6 16.440 -1.477 1.808 1.00 0.00 C ATOM 102 C GLN A 6 17.336 -1.321 3.045 1.00 0.00 C ATOM 103 O GLN A 6 17.001 -1.818 4.117 1.00 0.00 O ATOM 104 CB GLN A 6 16.180 -0.102 1.128 1.00 0.00 C ATOM 105 CG GLN A 6 15.569 0.959 2.074 1.00 0.00 C ATOM 106 CD GLN A 6 15.303 2.312 1.411 1.00 0.00 C ATOM 107 OE1 GLN A 6 15.984 2.714 0.466 1.00 0.00 O ATOM 108 NE2 GLN A 6 14.331 3.040 1.930 1.00 0.00 N ATOM 0 H GLN A 6 14.799 -1.693 3.091 1.00 0.00 H new ATOM 0 HA GLN A 6 16.947 -2.124 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.120 0.279 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.510 -0.248 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.632 0.574 2.477 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.242 1.107 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.785 2.679 2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.126 3.964 1.549 1.00 0.00 H new ATOM 117 N TYR A 7 18.483 -0.657 2.886 1.00 0.00 N ATOM 118 CA TYR A 7 19.314 -0.235 4.026 1.00 0.00 C ATOM 119 C TYR A 7 20.251 0.893 3.582 1.00 0.00 C ATOM 120 O TYR A 7 20.409 1.143 2.381 1.00 0.00 O ATOM 121 CB TYR A 7 20.117 -1.438 4.628 1.00 0.00 C ATOM 122 CG TYR A 7 20.627 -1.179 6.058 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.721 -0.890 7.083 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.989 -1.194 6.384 1.00 0.00 C ATOM 125 CE1 TYR A 7 20.148 -0.623 8.366 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.417 -0.933 7.677 1.00 0.00 C ATOM 127 CZ TYR A 7 21.495 -0.646 8.659 1.00 0.00 C ATOM 128 OH TYR A 7 21.920 -0.382 9.945 1.00 0.00 O ATOM 0 H TYR A 7 18.863 -0.397 1.976 1.00 0.00 H new ATOM 0 HA TYR A 7 18.662 0.135 4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 7 19.482 -2.324 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.967 -1.658 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.663 -0.876 6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.717 -1.412 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.429 -0.396 9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.471 -0.955 7.913 1.00 0.00 H new ATOM 0 HH TYR A 7 22.898 -0.439 9.985 1.00 0.00 H new ATOM 138 N LYS A 8 20.856 1.576 4.565 1.00 0.00 N ATOM 139 CA LYS A 8 21.910 2.579 4.331 1.00 0.00 C ATOM 140 C LYS A 8 23.245 1.843 4.082 1.00 0.00 C ATOM 141 O LYS A 8 24.198 1.939 4.865 1.00 0.00 O ATOM 142 CB LYS A 8 21.995 3.583 5.528 1.00 0.00 C ATOM 143 CG LYS A 8 20.786 4.551 5.683 1.00 0.00 C ATOM 144 CD LYS A 8 19.478 3.861 6.142 1.00 0.00 C ATOM 145 CE LYS A 8 18.283 4.824 6.208 1.00 0.00 C ATOM 146 NZ LYS A 8 17.046 4.149 6.666 1.00 0.00 N ATOM 0 H LYS A 8 20.628 1.449 5.551 1.00 0.00 H new ATOM 0 HA LYS A 8 21.675 3.175 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.101 3.012 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.901 4.178 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.046 5.328 6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.607 5.047 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.244 3.046 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.634 3.416 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.518 5.646 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.114 5.259 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.220 4.604 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.075 3.146 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.973 4.222 7.701 1.00 0.00 H new ATOM 160 N ASN A 9 23.261 1.092 2.976 1.00 0.00 N ATOM 161 CA ASN A 9 24.361 0.213 2.565 1.00 0.00 C ATOM 162 C ASN A 9 24.073 -0.228 1.123 1.00 0.00 C ATOM 163 O ASN A 9 22.953 -0.680 0.833 1.00 0.00 O ATOM 164 CB ASN A 9 24.499 -1.016 3.511 1.00 0.00 C ATOM 165 CG ASN A 9 25.708 -1.895 3.185 1.00 0.00 C ATOM 166 OD1 ASN A 9 25.610 -2.873 2.446 1.00 0.00 O ATOM 167 ND2 ASN A 9 26.863 -1.536 3.723 1.00 0.00 N ATOM 0 H ASN A 9 22.481 1.079 2.319 1.00 0.00 H new ATOM 0 HA ASN A 9 25.310 0.746 2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 9 24.579 -0.667 4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 9 23.593 -1.618 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 9 27.706 -2.076 3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 9 26.910 -0.719 4.332 1.00 0.00 H new ATOM 174 N CYS A 10 25.093 -0.077 0.239 1.00 0.00 N ATOM 175 CA CYS A 10 24.980 -0.233 -1.230 1.00 0.00 C ATOM 176 C CYS A 10 24.182 0.934 -1.849 1.00 0.00 C ATOM 177 O CYS A 10 23.145 1.361 -1.315 1.00 0.00 O ATOM 178 CB CYS A 10 24.371 -1.596 -1.657 1.00 0.00 C ATOM 179 SG CYS A 10 24.340 -1.863 -3.451 1.00 0.00 S ATOM 0 H CYS A 10 26.038 0.162 0.538 1.00 0.00 H new ATOM 0 HA CYS A 10 25.999 -0.213 -1.616 1.00 0.00 H new ATOM 0 HB2 CYS A 10 24.942 -2.399 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 10 23.353 -1.664 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 10 23.817 -3.025 -3.708 1.00 0.00 H new ATOM 185 N THR A 11 24.668 1.428 -3.000 1.00 0.00 N ATOM 186 CA THR A 11 24.060 2.562 -3.722 1.00 0.00 C ATOM 187 C THR A 11 22.734 2.165 -4.411 1.00 0.00 C ATOM 188 O THR A 11 22.031 3.033 -4.949 1.00 0.00 O ATOM 189 CB THR A 11 25.070 3.164 -4.753 1.00 0.00 C ATOM 190 OG1 THR A 11 25.660 2.109 -5.529 1.00 0.00 O ATOM 191 CG2 THR A 11 26.177 3.976 -4.056 1.00 0.00 C ATOM 0 H THR A 11 25.497 1.051 -3.459 1.00 0.00 H new ATOM 0 HA THR A 11 23.820 3.329 -2.985 1.00 0.00 H new ATOM 0 HB THR A 11 24.518 3.840 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 11 26.291 2.491 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.859 4.378 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 11 25.729 4.796 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 11 26.728 3.329 -3.373 1.00 0.00 H new ATOM 199 N THR A 12 22.404 0.849 -4.371 1.00 0.00 N ATOM 200 CA THR A 12 21.095 0.317 -4.791 1.00 0.00 C ATOM 201 C THR A 12 19.940 1.041 -4.076 1.00 0.00 C ATOM 202 O THR A 12 18.909 1.285 -4.680 1.00 0.00 O ATOM 203 CB THR A 12 20.985 -1.218 -4.502 1.00 0.00 C ATOM 204 OG1 THR A 12 21.973 -1.934 -5.263 1.00 0.00 O ATOM 205 CG2 THR A 12 19.586 -1.776 -4.824 1.00 0.00 C ATOM 0 H THR A 12 23.047 0.128 -4.043 1.00 0.00 H new ATOM 0 HA THR A 12 21.017 0.488 -5.865 1.00 0.00 H new ATOM 0 HB THR A 12 21.160 -1.357 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.832 -1.905 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.561 -2.844 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.841 -1.264 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 12 19.364 -1.615 -5.879 1.00 0.00 H new ATOM 213 N CYS A 13 20.154 1.374 -2.791 1.00 0.00 N ATOM 214 CA CYS A 13 19.171 2.089 -1.941 1.00 0.00 C ATOM 215 C CYS A 13 18.548 3.294 -2.685 1.00 0.00 C ATOM 216 O CYS A 13 17.330 3.358 -2.895 1.00 0.00 O ATOM 217 CB CYS A 13 19.882 2.556 -0.649 1.00 0.00 C ATOM 218 SG CYS A 13 18.885 3.574 0.463 1.00 0.00 S ATOM 0 H CYS A 13 21.022 1.154 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 13 18.355 1.410 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 13 20.220 1.676 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.773 3.119 -0.928 1.00 0.00 H new ATOM 0 HG CYS A 13 17.663 3.131 0.478 1.00 0.00 H new ATOM 224 N LYS A 14 19.433 4.169 -3.189 1.00 0.00 N ATOM 225 CA LYS A 14 19.044 5.444 -3.818 1.00 0.00 C ATOM 226 C LYS A 14 18.527 5.234 -5.251 1.00 0.00 C ATOM 227 O LYS A 14 17.565 5.885 -5.662 1.00 0.00 O ATOM 228 CB LYS A 14 20.246 6.429 -3.813 1.00 0.00 C ATOM 229 CG LYS A 14 20.892 6.638 -2.421 1.00 0.00 C ATOM 230 CD LYS A 14 19.878 7.134 -1.359 1.00 0.00 C ATOM 231 CE LYS A 14 20.486 7.228 0.052 1.00 0.00 C ATOM 232 NZ LYS A 14 19.477 7.651 1.056 1.00 0.00 N ATOM 0 H LYS A 14 20.441 4.013 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 14 18.229 5.872 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.006 6.060 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.912 7.394 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.333 5.700 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.704 7.360 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.502 8.114 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.023 6.458 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.899 6.260 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.313 7.938 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.922 7.704 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.101 8.586 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.700 6.960 1.080 1.00 0.00 H new ATOM 246 N LYS A 15 19.165 4.315 -6.000 1.00 0.00 N ATOM 247 CA LYS A 15 18.837 4.073 -7.422 1.00 0.00 C ATOM 248 C LYS A 15 17.471 3.378 -7.565 1.00 0.00 C ATOM 249 O LYS A 15 16.641 3.792 -8.368 1.00 0.00 O ATOM 250 CB LYS A 15 19.949 3.237 -8.114 1.00 0.00 C ATOM 251 CG LYS A 15 21.361 3.867 -8.085 1.00 0.00 C ATOM 252 CD LYS A 15 21.419 5.292 -8.697 1.00 0.00 C ATOM 253 CE LYS A 15 21.080 5.332 -10.196 1.00 0.00 C ATOM 254 NZ LYS A 15 21.109 6.712 -10.732 1.00 0.00 N ATOM 0 H LYS A 15 19.915 3.723 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 15 18.778 5.042 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.996 2.258 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.664 3.072 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.709 3.910 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.050 3.219 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.725 5.938 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.418 5.702 -8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.790 4.714 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.092 4.901 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.875 6.696 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.413 7.296 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.059 7.115 -10.602 1.00 0.00 H new ATOM 268 N ALA A 16 17.270 2.321 -6.773 1.00 0.00 N ATOM 269 CA ALA A 16 16.021 1.537 -6.745 1.00 0.00 C ATOM 270 C ALA A 16 14.849 2.386 -6.238 1.00 0.00 C ATOM 271 O ALA A 16 13.763 2.373 -6.840 1.00 0.00 O ATOM 272 CB ALA A 16 16.194 0.285 -5.877 1.00 0.00 C ATOM 0 H ALA A 16 17.977 1.977 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 16 15.794 1.225 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.263 -0.282 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.992 -0.334 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.450 0.580 -4.859 1.00 0.00 H new ATOM 278 N ALA A 17 15.081 3.137 -5.131 1.00 0.00 N ATOM 279 CA ALA A 17 14.066 4.058 -4.573 1.00 0.00 C ATOM 280 C ALA A 17 13.652 5.116 -5.609 1.00 0.00 C ATOM 281 O ALA A 17 12.466 5.409 -5.767 1.00 0.00 O ATOM 282 CB ALA A 17 14.580 4.743 -3.297 1.00 0.00 C ATOM 0 H ALA A 17 15.959 3.121 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 17 13.190 3.462 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.813 5.414 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.813 3.987 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.479 5.315 -3.528 1.00 0.00 H new ATOM 288 N LYS A 18 14.653 5.662 -6.330 1.00 0.00 N ATOM 289 CA LYS A 18 14.429 6.691 -7.364 1.00 0.00 C ATOM 290 C LYS A 18 13.716 6.115 -8.603 1.00 0.00 C ATOM 291 O LYS A 18 12.907 6.795 -9.205 1.00 0.00 O ATOM 292 CB LYS A 18 15.766 7.376 -7.782 1.00 0.00 C ATOM 293 CG LYS A 18 15.636 8.390 -8.955 1.00 0.00 C ATOM 294 CD LYS A 18 14.603 9.526 -8.678 1.00 0.00 C ATOM 295 CE LYS A 18 13.925 10.038 -9.963 1.00 0.00 C ATOM 296 NZ LYS A 18 12.905 11.081 -9.679 1.00 0.00 N ATOM 0 H LYS A 18 15.633 5.404 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 18 13.777 7.444 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.180 7.893 -6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.482 6.604 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.611 8.835 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.343 7.855 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.840 9.159 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.106 10.356 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.681 10.445 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.454 9.203 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.358 11.275 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.265 10.746 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.378 11.953 -9.365 1.00 0.00 H new ATOM 310 N PHE A 19 14.038 4.877 -8.975 1.00 0.00 N ATOM 311 CA PHE A 19 13.459 4.202 -10.158 1.00 0.00 C ATOM 312 C PHE A 19 11.937 4.011 -9.965 1.00 0.00 C ATOM 313 O PHE A 19 11.110 4.362 -10.838 1.00 0.00 O ATOM 314 CB PHE A 19 14.175 2.843 -10.374 1.00 0.00 C ATOM 315 CG PHE A 19 13.882 2.180 -11.712 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.535 2.607 -12.870 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.962 1.143 -11.823 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.274 2.015 -14.089 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.705 0.555 -13.045 1.00 0.00 C ATOM 320 CZ PHE A 19 13.359 0.988 -14.174 1.00 0.00 C ATOM 0 H PHE A 19 14.711 4.302 -8.468 1.00 0.00 H new ATOM 0 HA PHE A 19 13.608 4.817 -11.046 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.251 2.996 -10.287 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.884 2.162 -9.574 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.254 3.411 -12.811 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.443 0.794 -10.943 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.787 2.356 -14.976 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.987 -0.249 -13.115 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.156 0.523 -15.128 1.00 0.00 H new ATOM 330 N LEU A 20 11.592 3.497 -8.778 1.00 0.00 N ATOM 331 CA LEU A 20 10.200 3.312 -8.344 1.00 0.00 C ATOM 332 C LEU A 20 9.500 4.687 -8.178 1.00 0.00 C ATOM 333 O LEU A 20 8.330 4.835 -8.511 1.00 0.00 O ATOM 334 CB LEU A 20 10.185 2.481 -7.031 1.00 0.00 C ATOM 335 CG LEU A 20 10.727 1.014 -7.162 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.896 0.335 -5.784 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.824 0.161 -8.085 1.00 0.00 C ATOM 0 H LEU A 20 12.277 3.195 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 20 9.640 2.762 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.778 3.005 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.162 2.441 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 20 11.715 1.081 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.273 -0.678 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.602 0.906 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.932 0.298 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.227 -0.850 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.816 0.122 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.793 0.609 -9.078 1.00 0.00 H new ATOM 349 N ASP A 21 10.253 5.701 -7.712 1.00 0.00 N ATOM 350 CA ASP A 21 9.754 7.100 -7.596 1.00 0.00 C ATOM 351 C ASP A 21 9.511 7.725 -8.988 1.00 0.00 C ATOM 352 O ASP A 21 8.552 8.478 -9.183 1.00 0.00 O ATOM 353 CB ASP A 21 10.772 7.957 -6.799 1.00 0.00 C ATOM 354 CG ASP A 21 10.398 9.451 -6.700 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.601 9.814 -5.811 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.913 10.271 -7.507 1.00 0.00 O ATOM 0 H ASP A 21 11.219 5.584 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 21 8.802 7.079 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.864 7.549 -5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.751 7.869 -7.269 1.00 0.00 H new ATOM 361 N GLU A 22 10.382 7.366 -9.943 1.00 0.00 N ATOM 362 CA GLU A 22 10.410 7.927 -11.308 1.00 0.00 C ATOM 363 C GLU A 22 9.118 7.562 -12.047 1.00 0.00 C ATOM 364 O GLU A 22 8.470 8.410 -12.670 1.00 0.00 O ATOM 365 CB GLU A 22 11.651 7.374 -12.075 1.00 0.00 C ATOM 366 CG GLU A 22 11.762 7.781 -13.561 1.00 0.00 C ATOM 367 CD GLU A 22 12.025 9.282 -13.784 1.00 0.00 C ATOM 368 OE1 GLU A 22 11.060 10.077 -13.811 1.00 0.00 O ATOM 369 OE2 GLU A 22 13.205 9.674 -13.941 1.00 0.00 O ATOM 0 H GLU A 22 11.104 6.662 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 22 10.484 9.013 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.551 7.707 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.635 6.286 -12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.566 7.209 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.840 7.505 -14.072 1.00 0.00 H new ATOM 376 N TYR A 23 8.749 6.281 -11.950 1.00 0.00 N ATOM 377 CA TYR A 23 7.535 5.746 -12.595 1.00 0.00 C ATOM 378 C TYR A 23 6.265 5.951 -11.741 1.00 0.00 C ATOM 379 O TYR A 23 5.163 5.599 -12.181 1.00 0.00 O ATOM 380 CB TYR A 23 7.769 4.261 -12.941 1.00 0.00 C ATOM 381 CG TYR A 23 8.716 4.061 -14.135 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.103 4.184 -13.993 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.218 3.760 -15.407 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.950 4.018 -15.072 1.00 0.00 C ATOM 385 CE2 TYR A 23 9.062 3.585 -16.484 1.00 0.00 C ATOM 386 CZ TYR A 23 10.425 3.715 -16.313 1.00 0.00 C ATOM 387 OH TYR A 23 11.266 3.552 -17.393 1.00 0.00 O ATOM 0 H TYR A 23 9.278 5.584 -11.425 1.00 0.00 H new ATOM 0 HA TYR A 23 7.353 6.306 -13.512 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.181 3.752 -12.070 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.811 3.791 -13.162 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.519 4.413 -13.023 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.152 3.663 -15.549 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.017 4.125 -14.946 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.658 3.347 -17.457 1.00 0.00 H new ATOM 0 HH TYR A 23 10.737 3.341 -18.191 1.00 0.00 H new ATOM 397 N GLY A 24 6.424 6.531 -10.537 1.00 0.00 N ATOM 398 CA GLY A 24 5.282 6.835 -9.658 1.00 0.00 C ATOM 399 C GLY A 24 4.729 5.602 -8.940 1.00 0.00 C ATOM 400 O GLY A 24 3.562 5.567 -8.548 1.00 0.00 O ATOM 0 H GLY A 24 7.330 6.798 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.589 7.572 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.487 7.290 -10.250 1.00 0.00 H new ATOM 404 N VAL A 25 5.583 4.585 -8.796 1.00 0.00 N ATOM 405 CA VAL A 25 5.276 3.346 -8.062 1.00 0.00 C ATOM 406 C VAL A 25 5.264 3.626 -6.546 1.00 0.00 C ATOM 407 O VAL A 25 6.237 4.176 -6.011 1.00 0.00 O ATOM 408 CB VAL A 25 6.344 2.238 -8.391 1.00 0.00 C ATOM 409 CG1 VAL A 25 6.059 0.917 -7.648 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.454 2.005 -9.911 1.00 0.00 C ATOM 0 H VAL A 25 6.523 4.596 -9.191 1.00 0.00 H new ATOM 0 HA VAL A 25 4.293 2.989 -8.370 1.00 0.00 H new ATOM 0 HB VAL A 25 7.305 2.606 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.822 0.182 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.075 1.094 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.079 0.540 -7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.199 1.234 -10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.488 1.684 -10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.752 2.932 -10.401 1.00 0.00 H new ATOM 420 N SER A 26 4.158 3.267 -5.871 1.00 0.00 N ATOM 421 CA SER A 26 4.037 3.417 -4.415 1.00 0.00 C ATOM 422 C SER A 26 4.865 2.330 -3.698 1.00 0.00 C ATOM 423 O SER A 26 4.415 1.186 -3.531 1.00 0.00 O ATOM 424 CB SER A 26 2.559 3.353 -3.988 1.00 0.00 C ATOM 425 OG SER A 26 1.774 4.324 -4.669 1.00 0.00 O ATOM 0 H SER A 26 3.331 2.869 -6.317 1.00 0.00 H new ATOM 0 HA SER A 26 4.429 4.393 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.164 2.358 -4.191 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.483 3.513 -2.912 1.00 0.00 H new ATOM 0 HG SER A 26 0.841 4.255 -4.376 1.00 0.00 H new ATOM 431 N TYR A 27 6.097 2.700 -3.327 1.00 0.00 N ATOM 432 CA TYR A 27 7.040 1.815 -2.630 1.00 0.00 C ATOM 433 C TYR A 27 7.124 2.224 -1.149 1.00 0.00 C ATOM 434 O TYR A 27 7.210 3.416 -0.827 1.00 0.00 O ATOM 435 CB TYR A 27 8.445 1.843 -3.309 1.00 0.00 C ATOM 436 CG TYR A 27 9.220 3.172 -3.197 1.00 0.00 C ATOM 437 CD1 TYR A 27 8.955 4.248 -4.046 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.228 3.344 -2.239 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.650 5.440 -3.937 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.923 4.533 -2.130 1.00 0.00 C ATOM 441 CZ TYR A 27 10.635 5.578 -2.979 1.00 0.00 C ATOM 442 OH TYR A 27 11.324 6.768 -2.864 1.00 0.00 O ATOM 0 H TYR A 27 6.472 3.632 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 27 6.678 0.789 -2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.054 1.051 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.322 1.604 -4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.192 4.148 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.467 2.529 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.422 6.261 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.692 4.643 -1.379 1.00 0.00 H new ATOM 0 HH TYR A 27 11.981 6.697 -2.140 1.00 0.00 H new ATOM 452 N GLU A 28 7.084 1.229 -0.267 1.00 0.00 N ATOM 453 CA GLU A 28 7.137 1.396 1.188 1.00 0.00 C ATOM 454 C GLU A 28 8.594 1.281 1.661 1.00 0.00 C ATOM 455 O GLU A 28 9.115 0.164 1.751 1.00 0.00 O ATOM 456 CB GLU A 28 6.242 0.315 1.851 1.00 0.00 C ATOM 457 CG GLU A 28 6.077 0.435 3.383 1.00 0.00 C ATOM 458 CD GLU A 28 4.959 -0.465 3.947 1.00 0.00 C ATOM 459 OE1 GLU A 28 3.849 -0.482 3.357 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.168 -1.149 4.975 1.00 0.00 O ATOM 0 H GLU A 28 7.012 0.252 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 28 6.764 2.379 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.254 0.355 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.659 -0.666 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.020 0.177 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.863 1.473 3.638 1.00 0.00 H new ATOM 467 N PRO A 29 9.297 2.428 1.941 1.00 0.00 N ATOM 468 CA PRO A 29 10.716 2.422 2.336 1.00 0.00 C ATOM 469 C PRO A 29 10.869 1.989 3.802 1.00 0.00 C ATOM 470 O PRO A 29 10.636 2.776 4.723 1.00 0.00 O ATOM 471 CB PRO A 29 11.181 3.897 2.097 1.00 0.00 C ATOM 472 CG PRO A 29 9.994 4.593 1.488 1.00 0.00 C ATOM 473 CD PRO A 29 8.780 3.812 1.929 1.00 0.00 C ATOM 0 HA PRO A 29 11.319 1.714 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.479 4.372 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.043 3.935 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.935 5.628 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.070 4.614 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.428 4.125 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.945 3.930 1.238 1.00 0.00 H new ATOM 481 N ILE A 30 11.185 0.707 3.997 1.00 0.00 N ATOM 482 CA ILE A 30 11.421 0.102 5.315 1.00 0.00 C ATOM 483 C ILE A 30 12.751 -0.664 5.279 1.00 0.00 C ATOM 484 O ILE A 30 13.063 -1.310 4.291 1.00 0.00 O ATOM 485 CB ILE A 30 10.212 -0.830 5.754 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.701 -1.706 4.547 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.064 0.012 6.376 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.442 -2.523 4.812 1.00 0.00 C ATOM 0 H ILE A 30 11.287 0.044 3.228 1.00 0.00 H new ATOM 0 HA ILE A 30 11.486 0.889 6.067 1.00 0.00 H new ATOM 0 HB ILE A 30 10.573 -1.515 6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.514 -1.048 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.499 -2.387 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.247 -0.647 6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.435 0.542 7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.703 0.733 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.179 -3.087 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.623 -3.213 5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.622 -1.854 5.073 1.00 0.00 H new ATOM 500 N ASP A 31 13.560 -0.535 6.338 1.00 0.00 N ATOM 501 CA ASP A 31 14.896 -1.153 6.399 1.00 0.00 C ATOM 502 C ASP A 31 14.799 -2.659 6.673 1.00 0.00 C ATOM 503 O ASP A 31 13.971 -3.096 7.469 1.00 0.00 O ATOM 504 CB ASP A 31 15.776 -0.462 7.457 1.00 0.00 C ATOM 505 CG ASP A 31 16.146 0.982 7.075 1.00 0.00 C ATOM 506 OD1 ASP A 31 15.388 1.916 7.426 1.00 0.00 O ATOM 507 OD2 ASP A 31 17.180 1.194 6.401 1.00 0.00 O ATOM 0 H ASP A 31 13.312 -0.004 7.173 1.00 0.00 H new ATOM 0 HA ASP A 31 15.367 -1.019 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.251 -0.457 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.689 -1.041 7.598 1.00 0.00 H new ATOM 512 N ILE A 32 15.693 -3.428 6.031 1.00 0.00 N ATOM 513 CA ILE A 32 15.654 -4.900 5.999 1.00 0.00 C ATOM 514 C ILE A 32 15.947 -5.517 7.384 1.00 0.00 C ATOM 515 O ILE A 32 15.374 -6.541 7.736 1.00 0.00 O ATOM 516 CB ILE A 32 16.662 -5.459 4.922 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.484 -7.000 4.702 1.00 0.00 C ATOM 518 CG2 ILE A 32 18.129 -5.098 5.266 1.00 0.00 C ATOM 519 CD1 ILE A 32 15.177 -7.388 4.042 1.00 0.00 C ATOM 0 H ILE A 32 16.478 -3.037 5.510 1.00 0.00 H new ATOM 0 HA ILE A 32 14.641 -5.191 5.720 1.00 0.00 H new ATOM 0 HB ILE A 32 16.422 -4.970 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.309 -7.366 4.091 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.554 -7.503 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.792 -5.501 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.237 -4.014 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.391 -5.525 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.135 -8.471 3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.344 -7.056 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.110 -6.916 3.062 1.00 0.00 H new ATOM 531 N VAL A 33 16.852 -4.885 8.154 1.00 0.00 N ATOM 532 CA VAL A 33 17.238 -5.354 9.505 1.00 0.00 C ATOM 533 C VAL A 33 16.392 -4.669 10.597 1.00 0.00 C ATOM 534 O VAL A 33 16.032 -5.292 11.606 1.00 0.00 O ATOM 535 CB VAL A 33 18.771 -5.120 9.768 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.145 -3.631 9.634 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.222 -5.687 11.144 1.00 0.00 C ATOM 0 H VAL A 33 17.337 -4.037 7.861 1.00 0.00 H new ATOM 0 HA VAL A 33 17.043 -6.426 9.548 1.00 0.00 H new ATOM 0 HB VAL A 33 19.310 -5.672 8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.211 -3.505 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.911 -3.286 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.577 -3.047 10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.287 -5.503 11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.663 -5.197 11.941 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.033 -6.760 11.175 1.00 0.00 H new ATOM 547 N GLN A 34 16.061 -3.392 10.368 1.00 0.00 N ATOM 548 CA GLN A 34 15.310 -2.564 11.331 1.00 0.00 C ATOM 549 C GLN A 34 13.827 -3.000 11.360 1.00 0.00 C ATOM 550 O GLN A 34 13.113 -2.765 12.341 1.00 0.00 O ATOM 551 CB GLN A 34 15.445 -1.066 10.936 1.00 0.00 C ATOM 552 CG GLN A 34 15.011 -0.058 12.017 1.00 0.00 C ATOM 553 CD GLN A 34 14.935 1.393 11.522 1.00 0.00 C ATOM 554 OE1 GLN A 34 14.666 1.656 10.348 1.00 0.00 O ATOM 555 NE2 GLN A 34 15.144 2.345 12.420 1.00 0.00 N ATOM 0 H GLN A 34 16.305 -2.899 9.509 1.00 0.00 H new ATOM 0 HA GLN A 34 15.720 -2.699 12.332 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.485 -0.868 10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.852 -0.889 10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.034 -0.352 12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.711 -0.111 12.851 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.365 2.097 13.384 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.084 3.326 12.147 1.00 0.00 H new ATOM 564 N HIS A 35 13.385 -3.643 10.262 1.00 0.00 N ATOM 565 CA HIS A 35 11.990 -4.076 10.058 1.00 0.00 C ATOM 566 C HIS A 35 11.944 -5.497 9.453 1.00 0.00 C ATOM 567 O HIS A 35 11.048 -5.798 8.658 1.00 0.00 O ATOM 568 CB HIS A 35 11.261 -3.047 9.134 1.00 0.00 C ATOM 569 CG HIS A 35 10.973 -1.729 9.800 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.900 -1.539 10.644 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.624 -0.543 9.756 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.909 -0.301 11.094 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.942 0.326 10.568 1.00 0.00 N ATOM 0 H HIS A 35 13.996 -3.879 9.481 1.00 0.00 H new ATOM 0 HA HIS A 35 11.478 -4.113 11.019 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.873 -2.870 8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.323 -3.482 8.791 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.515 -0.322 9.187 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.191 0.128 11.778 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.193 1.300 10.738 1.00 0.00 H new ATOM 582 N THR A 36 12.888 -6.381 9.880 1.00 0.00 N ATOM 583 CA THR A 36 12.966 -7.782 9.391 1.00 0.00 C ATOM 584 C THR A 36 11.618 -8.519 9.611 1.00 0.00 C ATOM 585 O THR A 36 11.156 -8.589 10.755 1.00 0.00 O ATOM 586 CB THR A 36 14.102 -8.602 10.110 1.00 0.00 C ATOM 587 OG1 THR A 36 15.280 -7.803 10.243 1.00 0.00 O ATOM 588 CG2 THR A 36 14.463 -9.886 9.329 1.00 0.00 C ATOM 0 H THR A 36 13.607 -6.144 10.564 1.00 0.00 H new ATOM 0 HA THR A 36 13.195 -7.721 8.327 1.00 0.00 H new ATOM 0 HB THR A 36 13.722 -8.883 11.092 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.404 -7.265 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.250 -10.424 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.581 -10.522 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.812 -9.619 8.332 1.00 0.00 H new ATOM 596 N PRO A 37 10.956 -9.041 8.522 1.00 0.00 N ATOM 597 CA PRO A 37 9.676 -9.791 8.635 1.00 0.00 C ATOM 598 C PRO A 37 9.805 -11.062 9.501 1.00 0.00 C ATOM 599 O PRO A 37 10.916 -11.567 9.716 1.00 0.00 O ATOM 600 CB PRO A 37 9.326 -10.157 7.161 1.00 0.00 C ATOM 601 CG PRO A 37 10.123 -9.204 6.326 1.00 0.00 C ATOM 602 CD PRO A 37 11.390 -8.934 7.103 1.00 0.00 C ATOM 0 HA PRO A 37 8.906 -9.198 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.588 -11.191 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.258 -10.051 6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.347 -9.633 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.569 -8.282 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.169 -9.659 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.795 -7.947 6.880 1.00 0.00 H new ATOM 610 N THR A 38 8.664 -11.554 10.008 1.00 0.00 N ATOM 611 CA THR A 38 8.607 -12.814 10.762 1.00 0.00 C ATOM 612 C THR A 38 8.632 -14.011 9.800 1.00 0.00 C ATOM 613 O THR A 38 8.491 -13.848 8.577 1.00 0.00 O ATOM 614 CB THR A 38 7.328 -12.890 11.663 1.00 0.00 C ATOM 615 OG1 THR A 38 6.141 -12.898 10.848 1.00 0.00 O ATOM 616 CG2 THR A 38 7.262 -11.715 12.660 1.00 0.00 C ATOM 0 H THR A 38 7.760 -11.092 9.907 1.00 0.00 H new ATOM 0 HA THR A 38 9.482 -12.848 11.411 1.00 0.00 H new ATOM 0 HB THR A 38 7.386 -13.817 12.233 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.349 -12.947 11.424 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.361 -11.803 13.267 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.139 -11.737 13.307 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.239 -10.773 12.112 1.00 0.00 H new ATOM 624 N ILE A 39 8.798 -15.213 10.374 1.00 0.00 N ATOM 625 CA ILE A 39 8.766 -16.495 9.633 1.00 0.00 C ATOM 626 C ILE A 39 7.449 -16.615 8.835 1.00 0.00 C ATOM 627 O ILE A 39 7.436 -17.078 7.689 1.00 0.00 O ATOM 628 CB ILE A 39 8.893 -17.706 10.634 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.127 -17.514 11.574 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.974 -19.061 9.887 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.203 -18.482 12.740 1.00 0.00 C ATOM 0 H ILE A 39 8.960 -15.329 11.374 1.00 0.00 H new ATOM 0 HA ILE A 39 9.607 -16.517 8.940 1.00 0.00 H new ATOM 0 HB ILE A 39 7.991 -17.726 11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.036 -17.612 10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.111 -16.497 11.966 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.061 -19.871 10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.073 -19.202 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.846 -19.064 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.093 -18.269 13.333 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.316 -18.371 13.364 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.255 -19.503 12.362 1.00 0.00 H new ATOM 643 N ASN A 40 6.359 -16.135 9.472 1.00 0.00 N ATOM 644 CA ASN A 40 4.995 -16.142 8.913 1.00 0.00 C ATOM 645 C ASN A 40 4.910 -15.205 7.696 1.00 0.00 C ATOM 646 O ASN A 40 4.406 -15.594 6.641 1.00 0.00 O ATOM 647 CB ASN A 40 3.958 -15.693 9.980 1.00 0.00 C ATOM 648 CG ASN A 40 4.034 -16.458 11.305 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.473 -17.610 11.364 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.590 -15.818 12.385 1.00 0.00 N ATOM 0 H ASN A 40 6.406 -15.725 10.405 1.00 0.00 H new ATOM 0 HA ASN A 40 4.766 -17.162 8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.099 -14.631 10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.957 -15.809 9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.607 -16.280 13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.233 -14.866 12.303 1.00 0.00 H new ATOM 657 N GLU A 41 5.424 -13.969 7.857 1.00 0.00 N ATOM 658 CA GLU A 41 5.405 -12.945 6.788 1.00 0.00 C ATOM 659 C GLU A 41 6.201 -13.411 5.557 1.00 0.00 C ATOM 660 O GLU A 41 5.752 -13.230 4.421 1.00 0.00 O ATOM 661 CB GLU A 41 5.972 -11.602 7.302 1.00 0.00 C ATOM 662 CG GLU A 41 5.161 -10.935 8.426 1.00 0.00 C ATOM 663 CD GLU A 41 3.710 -10.615 8.025 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.500 -9.678 7.223 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.775 -11.293 8.507 1.00 0.00 O ATOM 0 H GLU A 41 5.861 -13.652 8.723 1.00 0.00 H new ATOM 0 HA GLU A 41 4.366 -12.799 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.988 -11.768 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.038 -10.909 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.153 -11.591 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.659 -10.013 8.726 1.00 0.00 H new ATOM 672 N PHE A 42 7.374 -14.028 5.809 1.00 0.00 N ATOM 673 CA PHE A 42 8.231 -14.579 4.750 1.00 0.00 C ATOM 674 C PHE A 42 7.484 -15.671 3.961 1.00 0.00 C ATOM 675 O PHE A 42 7.292 -15.524 2.763 1.00 0.00 O ATOM 676 CB PHE A 42 9.572 -15.122 5.320 1.00 0.00 C ATOM 677 CG PHE A 42 10.659 -14.067 5.531 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.218 -13.398 4.438 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.138 -13.759 6.801 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.208 -12.452 4.615 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.131 -12.816 6.974 1.00 0.00 C ATOM 682 CZ PHE A 42 12.668 -12.165 5.882 1.00 0.00 C ATOM 0 H PHE A 42 7.748 -14.156 6.749 1.00 0.00 H new ATOM 0 HA PHE A 42 8.476 -13.766 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.372 -15.612 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.955 -15.886 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.870 -13.624 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.727 -14.265 7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.622 -11.937 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.489 -12.587 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.448 -11.431 6.020 1.00 0.00 H new ATOM 692 N LYS A 43 7.014 -16.736 4.642 1.00 0.00 N ATOM 693 CA LYS A 43 6.339 -17.872 3.957 1.00 0.00 C ATOM 694 C LYS A 43 5.076 -17.412 3.188 1.00 0.00 C ATOM 695 O LYS A 43 4.745 -17.979 2.140 1.00 0.00 O ATOM 696 CB LYS A 43 6.003 -19.014 4.952 1.00 0.00 C ATOM 697 CG LYS A 43 5.044 -18.634 6.098 1.00 0.00 C ATOM 698 CD LYS A 43 4.789 -19.790 7.092 1.00 0.00 C ATOM 699 CE LYS A 43 6.052 -20.238 7.842 1.00 0.00 C ATOM 700 NZ LYS A 43 5.757 -21.299 8.834 1.00 0.00 N ATOM 0 H LYS A 43 7.085 -16.839 5.654 1.00 0.00 H new ATOM 0 HA LYS A 43 7.042 -18.266 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.565 -19.841 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.933 -19.380 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.456 -17.783 6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.093 -18.312 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.037 -19.477 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.376 -20.641 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.789 -20.604 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.497 -19.381 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.410 -22.096 8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.875 -20.919 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.778 -21.628 8.710 1.00 0.00 H new ATOM 714 N THR A 44 4.416 -16.348 3.697 1.00 0.00 N ATOM 715 CA THR A 44 3.251 -15.735 3.039 1.00 0.00 C ATOM 716 C THR A 44 3.657 -15.100 1.693 1.00 0.00 C ATOM 717 O THR A 44 3.096 -15.449 0.648 1.00 0.00 O ATOM 718 CB THR A 44 2.565 -14.666 3.962 1.00 0.00 C ATOM 719 OG1 THR A 44 2.094 -15.307 5.159 1.00 0.00 O ATOM 720 CG2 THR A 44 1.382 -13.952 3.273 1.00 0.00 C ATOM 0 H THR A 44 4.678 -15.895 4.572 1.00 0.00 H new ATOM 0 HA THR A 44 2.527 -16.527 2.849 1.00 0.00 H new ATOM 0 HB THR A 44 3.314 -13.908 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.839 -15.417 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.947 -13.225 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.737 -13.441 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.626 -14.686 2.995 1.00 0.00 H new ATOM 728 N ILE A 45 4.670 -14.205 1.712 1.00 0.00 N ATOM 729 CA ILE A 45 5.091 -13.464 0.501 1.00 0.00 C ATOM 730 C ILE A 45 5.681 -14.424 -0.551 1.00 0.00 C ATOM 731 O ILE A 45 5.521 -14.207 -1.737 1.00 0.00 O ATOM 732 CB ILE A 45 6.106 -12.287 0.810 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.506 -12.813 1.297 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.485 -11.281 1.813 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.515 -11.741 1.702 1.00 0.00 C ATOM 0 H ILE A 45 5.209 -13.979 2.548 1.00 0.00 H new ATOM 0 HA ILE A 45 4.190 -13.000 0.098 1.00 0.00 H new ATOM 0 HB ILE A 45 6.292 -11.760 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.348 -13.476 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.944 -13.415 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.197 -10.480 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.574 -10.859 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.247 -11.795 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.443 -12.216 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.714 -11.089 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.109 -11.151 2.524 1.00 0.00 H new ATOM 747 N ILE A 46 6.312 -15.512 -0.086 1.00 0.00 N ATOM 748 CA ILE A 46 6.915 -16.553 -0.949 1.00 0.00 C ATOM 749 C ILE A 46 5.828 -17.434 -1.586 1.00 0.00 C ATOM 750 O ILE A 46 5.988 -17.914 -2.713 1.00 0.00 O ATOM 751 CB ILE A 46 7.941 -17.406 -0.111 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.112 -16.487 0.358 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.477 -18.639 -0.881 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.864 -17.004 1.548 1.00 0.00 C ATOM 0 H ILE A 46 6.422 -15.701 0.910 1.00 0.00 H new ATOM 0 HA ILE A 46 7.455 -16.073 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 46 7.412 -17.804 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.810 -16.357 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.712 -15.501 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.179 -19.185 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.645 -19.291 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.985 -18.309 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.660 -16.306 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.182 -17.107 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.297 -17.976 1.311 1.00 0.00 H new ATOM 766 N ALA A 47 4.717 -17.632 -0.860 1.00 0.00 N ATOM 767 CA ALA A 47 3.554 -18.375 -1.376 1.00 0.00 C ATOM 768 C ALA A 47 2.823 -17.571 -2.475 1.00 0.00 C ATOM 769 O ALA A 47 2.477 -18.121 -3.523 1.00 0.00 O ATOM 770 CB ALA A 47 2.596 -18.734 -0.230 1.00 0.00 C ATOM 0 H ALA A 47 4.598 -17.286 0.092 1.00 0.00 H new ATOM 0 HA ALA A 47 3.913 -19.300 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.742 -19.282 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.117 -19.354 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.248 -17.821 0.253 1.00 0.00 H new ATOM 776 N ASN A 48 2.628 -16.259 -2.236 1.00 0.00 N ATOM 777 CA ASN A 48 1.864 -15.376 -3.150 1.00 0.00 C ATOM 778 C ASN A 48 2.671 -15.016 -4.412 1.00 0.00 C ATOM 779 O ASN A 48 2.155 -15.120 -5.532 1.00 0.00 O ATOM 780 CB ASN A 48 1.366 -14.095 -2.421 1.00 0.00 C ATOM 781 CG ASN A 48 0.240 -14.378 -1.416 1.00 0.00 C ATOM 782 OD1 ASN A 48 -0.925 -14.489 -1.797 1.00 0.00 O ATOM 783 ND2 ASN A 48 0.560 -14.476 -0.135 1.00 0.00 N ATOM 0 H ASN A 48 2.991 -15.781 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 48 0.988 -15.938 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.203 -13.631 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.014 -13.376 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.166 -14.647 0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.533 -14.380 0.156 1.00 0.00 H new ATOM 790 N THR A 49 3.939 -14.605 -4.229 1.00 0.00 N ATOM 791 CA THR A 49 4.816 -14.196 -5.348 1.00 0.00 C ATOM 792 C THR A 49 5.401 -15.427 -6.063 1.00 0.00 C ATOM 793 O THR A 49 5.551 -15.439 -7.286 1.00 0.00 O ATOM 794 CB THR A 49 5.982 -13.273 -4.870 1.00 0.00 C ATOM 795 OG1 THR A 49 6.906 -14.013 -4.046 1.00 0.00 O ATOM 796 CG2 THR A 49 5.461 -12.056 -4.082 1.00 0.00 C ATOM 0 H THR A 49 4.383 -14.546 -3.313 1.00 0.00 H new ATOM 0 HA THR A 49 4.195 -13.631 -6.043 1.00 0.00 H new ATOM 0 HB THR A 49 6.492 -12.912 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.437 -14.358 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.303 -11.439 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.798 -11.468 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.914 -12.398 -3.204 1.00 0.00 H new ATOM 804 N GLY A 50 5.708 -16.473 -5.278 1.00 0.00 N ATOM 805 CA GLY A 50 6.350 -17.681 -5.805 1.00 0.00 C ATOM 806 C GLY A 50 7.846 -17.499 -6.007 1.00 0.00 C ATOM 807 O GLY A 50 8.422 -18.037 -6.963 1.00 0.00 O ATOM 0 H GLY A 50 5.520 -16.503 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.177 -18.510 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.888 -17.951 -6.755 1.00 0.00 H new ATOM 811 N VAL A 51 8.477 -16.722 -5.106 1.00 0.00 N ATOM 812 CA VAL A 51 9.917 -16.425 -5.173 1.00 0.00 C ATOM 813 C VAL A 51 10.728 -17.584 -4.568 1.00 0.00 C ATOM 814 O VAL A 51 10.232 -18.306 -3.693 1.00 0.00 O ATOM 815 CB VAL A 51 10.255 -15.071 -4.435 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.970 -15.141 -2.915 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.708 -14.606 -4.710 1.00 0.00 C ATOM 0 H VAL A 51 8.004 -16.285 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 51 10.191 -16.312 -6.222 1.00 0.00 H new ATOM 0 HB VAL A 51 9.584 -14.321 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.219 -14.185 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.914 -15.358 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.576 -15.929 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.897 -13.671 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.406 -15.367 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.845 -14.453 -5.781 1.00 0.00 H new ATOM 827 N GLU A 52 11.953 -17.777 -5.073 1.00 0.00 N ATOM 828 CA GLU A 52 12.921 -18.686 -4.459 1.00 0.00 C ATOM 829 C GLU A 52 13.282 -18.197 -3.043 1.00 0.00 C ATOM 830 O GLU A 52 13.687 -17.043 -2.855 1.00 0.00 O ATOM 831 CB GLU A 52 14.196 -18.822 -5.338 1.00 0.00 C ATOM 832 CG GLU A 52 14.028 -19.703 -6.591 1.00 0.00 C ATOM 833 CD GLU A 52 13.311 -19.005 -7.768 1.00 0.00 C ATOM 834 OE1 GLU A 52 12.059 -18.971 -7.799 1.00 0.00 O ATOM 835 OE2 GLU A 52 14.002 -18.465 -8.657 1.00 0.00 O ATOM 0 H GLU A 52 12.296 -17.310 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 52 12.465 -19.673 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.512 -17.827 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.999 -19.234 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.012 -20.032 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.468 -20.598 -6.319 1.00 0.00 H new ATOM 842 N ILE A 53 13.111 -19.091 -2.065 1.00 0.00 N ATOM 843 CA ILE A 53 13.441 -18.826 -0.652 1.00 0.00 C ATOM 844 C ILE A 53 14.984 -18.735 -0.505 1.00 0.00 C ATOM 845 O ILE A 53 15.506 -18.011 0.353 1.00 0.00 O ATOM 846 CB ILE A 53 12.791 -19.939 0.286 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.528 -19.424 1.740 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.606 -21.257 0.295 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.731 -19.293 2.654 1.00 0.00 C ATOM 0 H ILE A 53 12.738 -20.026 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 53 13.020 -17.873 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 53 11.819 -20.163 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.047 -18.448 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.815 -20.098 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.120 -21.981 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.658 -21.660 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.614 -21.059 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.409 -18.927 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.207 -20.267 2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.443 -18.591 2.220 1.00 0.00 H new ATOM 861 N ASN A 54 15.695 -19.435 -1.412 1.00 0.00 N ATOM 862 CA ASN A 54 17.159 -19.513 -1.413 1.00 0.00 C ATOM 863 C ASN A 54 17.812 -18.177 -1.847 1.00 0.00 C ATOM 864 O ASN A 54 18.869 -17.804 -1.325 1.00 0.00 O ATOM 865 CB ASN A 54 17.627 -20.721 -2.287 1.00 0.00 C ATOM 866 CG ASN A 54 17.226 -20.681 -3.778 1.00 0.00 C ATOM 867 OD1 ASN A 54 17.250 -19.642 -4.431 1.00 0.00 O ATOM 868 ND2 ASN A 54 16.836 -21.825 -4.326 1.00 0.00 N ATOM 0 H ASN A 54 15.260 -19.964 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 54 17.497 -19.687 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 54 18.713 -20.787 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.227 -21.636 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 54 16.550 -21.850 -5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.822 -22.679 -3.768 1.00 0.00 H new ATOM 875 N LYS A 55 17.161 -17.443 -2.788 1.00 0.00 N ATOM 876 CA LYS A 55 17.692 -16.148 -3.284 1.00 0.00 C ATOM 877 C LYS A 55 17.444 -15.006 -2.286 1.00 0.00 C ATOM 878 O LYS A 55 17.999 -13.909 -2.459 1.00 0.00 O ATOM 879 CB LYS A 55 17.116 -15.751 -4.673 1.00 0.00 C ATOM 880 CG LYS A 55 15.606 -15.383 -4.713 1.00 0.00 C ATOM 881 CD LYS A 55 15.247 -14.388 -5.851 1.00 0.00 C ATOM 882 CE LYS A 55 15.730 -14.823 -7.242 1.00 0.00 C ATOM 883 NZ LYS A 55 15.130 -16.099 -7.686 1.00 0.00 N ATOM 0 H LYS A 55 16.277 -17.723 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 55 18.766 -16.300 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.685 -14.901 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.285 -16.578 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.020 -16.294 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.319 -14.948 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.165 -14.259 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.678 -13.415 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.490 -14.043 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.815 -14.923 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.193 -16.170 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.643 -16.893 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.132 -16.132 -7.397 1.00 0.00 H new ATOM 897 N LEU A 56 16.587 -15.252 -1.269 1.00 0.00 N ATOM 898 CA LEU A 56 16.334 -14.285 -0.188 1.00 0.00 C ATOM 899 C LEU A 56 17.536 -14.222 0.755 1.00 0.00 C ATOM 900 O LEU A 56 17.770 -13.197 1.385 1.00 0.00 O ATOM 901 CB LEU A 56 15.058 -14.643 0.606 1.00 0.00 C ATOM 902 CG LEU A 56 13.734 -14.763 -0.210 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.533 -14.934 0.733 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.523 -13.564 -1.153 1.00 0.00 C ATOM 0 H LEU A 56 16.058 -16.119 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 56 16.182 -13.307 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.230 -15.591 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.914 -13.887 1.378 1.00 0.00 H new ATOM 0 HG LEU A 56 13.817 -15.651 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.618 -15.016 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.664 -15.837 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.464 -14.070 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.589 -13.691 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.479 -12.645 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.352 -13.506 -1.859 1.00 0.00 H new ATOM 916 N PHE A 57 18.279 -15.343 0.854 1.00 0.00 N ATOM 917 CA PHE A 57 19.569 -15.382 1.560 1.00 0.00 C ATOM 918 C PHE A 57 20.600 -14.488 0.864 1.00 0.00 C ATOM 919 O PHE A 57 20.522 -14.272 -0.354 1.00 0.00 O ATOM 920 CB PHE A 57 20.126 -16.827 1.644 1.00 0.00 C ATOM 921 CG PHE A 57 19.476 -17.682 2.721 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.341 -18.436 2.454 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.008 -17.717 4.016 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.757 -19.200 3.439 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.419 -18.483 5.003 1.00 0.00 C ATOM 926 CZ PHE A 57 18.296 -19.224 4.714 1.00 0.00 C ATOM 0 H PHE A 57 18.002 -16.238 0.450 1.00 0.00 H new ATOM 0 HA PHE A 57 19.391 -15.013 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 57 19.991 -17.314 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.199 -16.781 1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.912 -18.423 1.463 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.890 -17.138 4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.875 -19.783 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.838 -18.500 5.998 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.834 -19.825 5.483 1.00 0.00 H new ATOM 936 N ASN A 58 21.547 -13.982 1.678 1.00 0.00 N ATOM 937 CA ASN A 58 22.756 -13.281 1.221 1.00 0.00 C ATOM 938 C ASN A 58 23.456 -14.150 0.161 1.00 0.00 C ATOM 939 O ASN A 58 24.192 -15.067 0.507 1.00 0.00 O ATOM 940 CB ASN A 58 23.684 -13.017 2.456 1.00 0.00 C ATOM 941 CG ASN A 58 25.035 -12.347 2.142 1.00 0.00 C ATOM 942 OD1 ASN A 58 26.052 -12.659 2.781 1.00 0.00 O ATOM 943 ND2 ASN A 58 25.057 -11.390 1.218 1.00 0.00 N ATOM 0 H ASN A 58 21.488 -14.053 2.694 1.00 0.00 H new ATOM 0 HA ASN A 58 22.509 -12.320 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 58 23.144 -12.390 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.877 -13.968 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.925 -10.892 1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 58 24.206 -11.154 0.708 1.00 0.00 H new ATOM 950 N THR A 59 23.122 -13.896 -1.128 1.00 0.00 N ATOM 951 CA THR A 59 23.493 -14.775 -2.249 1.00 0.00 C ATOM 952 C THR A 59 25.023 -14.842 -2.403 1.00 0.00 C ATOM 953 O THR A 59 25.636 -13.982 -3.053 1.00 0.00 O ATOM 954 CB THR A 59 22.790 -14.323 -3.573 1.00 0.00 C ATOM 955 OG1 THR A 59 21.371 -14.209 -3.343 1.00 0.00 O ATOM 956 CG2 THR A 59 23.034 -15.311 -4.738 1.00 0.00 C ATOM 0 H THR A 59 22.588 -13.075 -1.413 1.00 0.00 H new ATOM 0 HA THR A 59 23.142 -15.783 -2.029 1.00 0.00 H new ATOM 0 HB THR A 59 23.217 -13.362 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.885 -14.582 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 59 22.525 -14.952 -5.633 1.00 0.00 H new ATOM 0 HG22 THR A 59 24.104 -15.385 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.645 -16.293 -4.470 1.00 0.00 H new ATOM 964 N HIS A 60 25.604 -15.875 -1.744 1.00 0.00 N ATOM 965 CA HIS A 60 27.046 -15.993 -1.469 1.00 0.00 C ATOM 966 C HIS A 60 27.487 -14.798 -0.592 1.00 0.00 C ATOM 967 O HIS A 60 27.568 -14.939 0.638 1.00 0.00 O ATOM 968 CB HIS A 60 27.890 -16.151 -2.768 1.00 0.00 C ATOM 969 CG HIS A 60 27.522 -17.373 -3.573 1.00 0.00 C ATOM 970 ND1 HIS A 60 28.226 -18.552 -3.507 1.00 0.00 N ATOM 971 CD2 HIS A 60 26.520 -17.589 -4.461 1.00 0.00 C ATOM 972 CE1 HIS A 60 27.677 -19.439 -4.310 1.00 0.00 C ATOM 973 NE2 HIS A 60 26.636 -18.883 -4.898 1.00 0.00 N ATOM 0 H HIS A 60 25.066 -16.663 -1.384 1.00 0.00 H new ATOM 0 HA HIS A 60 27.232 -16.912 -0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 60 27.760 -15.264 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.946 -16.203 -2.503 1.00 0.00 H new ATOM 0 HD2 HIS A 60 25.770 -16.874 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 60 28.021 -20.451 -4.462 1.00 0.00 H new ATOM 0 HE2 HIS A 60 26.018 -19.341 -5.568 1.00 0.00 H new ATOM 982 N GLY A 61 27.700 -13.622 -1.232 1.00 0.00 N ATOM 983 CA GLY A 61 27.912 -12.347 -0.536 1.00 0.00 C ATOM 984 C GLY A 61 29.158 -12.330 0.343 1.00 0.00 C ATOM 985 O GLY A 61 30.203 -11.820 -0.062 1.00 0.00 O ATOM 0 H GLY A 61 27.728 -13.540 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 61 27.987 -11.548 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 61 27.040 -12.130 0.081 1.00 0.00 H new ATOM 989 N ALA A 62 29.020 -12.897 1.549 1.00 0.00 N ATOM 990 CA ALA A 62 30.116 -13.091 2.510 1.00 0.00 C ATOM 991 C ALA A 62 29.688 -14.134 3.558 1.00 0.00 C ATOM 992 O ALA A 62 30.299 -15.195 3.696 1.00 0.00 O ATOM 993 CB ALA A 62 30.492 -11.753 3.188 1.00 0.00 C ATOM 0 H ALA A 62 28.123 -13.242 1.892 1.00 0.00 H new ATOM 0 HA ALA A 62 30.999 -13.453 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 62 31.305 -11.919 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 62 30.811 -11.038 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 62 29.625 -11.357 3.718 1.00 0.00 H new ATOM 999 N LYS A 63 28.563 -13.840 4.235 1.00 0.00 N ATOM 1000 CA LYS A 63 28.134 -14.556 5.457 1.00 0.00 C ATOM 1001 C LYS A 63 27.548 -15.950 5.167 1.00 0.00 C ATOM 1002 O LYS A 63 27.608 -16.823 6.021 1.00 0.00 O ATOM 1003 CB LYS A 63 27.106 -13.718 6.236 1.00 0.00 C ATOM 1004 CG LYS A 63 27.511 -12.246 6.449 1.00 0.00 C ATOM 1005 CD LYS A 63 26.477 -11.465 7.283 1.00 0.00 C ATOM 1006 CE LYS A 63 25.051 -11.578 6.722 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.952 -11.096 5.319 1.00 0.00 N ATOM 0 H LYS A 63 27.923 -13.098 3.952 1.00 0.00 H new ATOM 0 HA LYS A 63 29.032 -14.702 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.155 -13.747 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.941 -14.181 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.479 -12.207 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.632 -11.762 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.490 -11.835 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.766 -10.415 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.727 -12.617 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.370 -11.003 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.951 -10.968 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.451 -10.188 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.384 -11.794 4.681 1.00 0.00 H new ATOM 1021 N TYR A 64 26.979 -16.140 3.968 1.00 0.00 N ATOM 1022 CA TYR A 64 26.381 -17.433 3.543 1.00 0.00 C ATOM 1023 C TYR A 64 27.406 -18.590 3.656 1.00 0.00 C ATOM 1024 O TYR A 64 27.039 -19.735 3.956 1.00 0.00 O ATOM 1025 CB TYR A 64 25.853 -17.305 2.088 1.00 0.00 C ATOM 1026 CG TYR A 64 24.976 -18.471 1.589 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.595 -18.469 1.793 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.530 -19.573 0.930 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.807 -19.513 1.351 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.744 -20.616 0.487 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.385 -20.588 0.705 1.00 0.00 C ATOM 1032 OH TYR A 64 22.600 -21.639 0.276 1.00 0.00 O ATOM 0 H TYR A 64 26.916 -15.409 3.260 1.00 0.00 H new ATOM 0 HA TYR A 64 25.550 -17.669 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.277 -16.383 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.707 -17.205 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.135 -17.637 2.305 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.597 -19.608 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.739 -19.489 1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.193 -21.452 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 64 22.802 -21.836 -0.662 1.00 0.00 H new ATOM 1042 N ARG A 65 28.696 -18.254 3.465 1.00 0.00 N ATOM 1043 CA ARG A 65 29.811 -19.222 3.509 1.00 0.00 C ATOM 1044 C ARG A 65 30.715 -18.975 4.732 1.00 0.00 C ATOM 1045 O ARG A 65 31.461 -19.872 5.144 1.00 0.00 O ATOM 1046 CB ARG A 65 30.639 -19.156 2.202 1.00 0.00 C ATOM 1047 CG ARG A 65 31.345 -17.807 1.944 1.00 0.00 C ATOM 1048 CD ARG A 65 32.171 -17.812 0.647 1.00 0.00 C ATOM 1049 NE ARG A 65 32.968 -16.580 0.480 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.094 -16.486 -0.251 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.570 -17.543 -0.911 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.733 -15.328 -0.324 1.00 0.00 N ATOM 0 H ARG A 65 28.997 -17.298 3.275 1.00 0.00 H new ATOM 0 HA ARG A 65 29.384 -20.221 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.392 -19.944 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.980 -19.371 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 65 30.599 -17.014 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.998 -17.576 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.837 -18.675 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.502 -17.927 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 65 32.641 -15.738 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.079 -18.436 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 65 35.425 -17.458 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.371 -14.514 0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.587 -15.251 -0.876 1.00 0.00 H new ATOM 1066 N GLU A 66 30.640 -17.757 5.306 1.00 0.00 N ATOM 1067 CA GLU A 66 31.391 -17.400 6.529 1.00 0.00 C ATOM 1068 C GLU A 66 30.832 -18.190 7.725 1.00 0.00 C ATOM 1069 O GLU A 66 31.579 -18.806 8.492 1.00 0.00 O ATOM 1070 CB GLU A 66 31.311 -15.873 6.786 1.00 0.00 C ATOM 1071 CG GLU A 66 32.195 -15.358 7.939 1.00 0.00 C ATOM 1072 CD GLU A 66 33.689 -15.698 7.756 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.334 -15.111 6.855 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.218 -16.562 8.492 1.00 0.00 O ATOM 0 H GLU A 66 30.063 -16.999 4.940 1.00 0.00 H new ATOM 0 HA GLU A 66 32.441 -17.662 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.593 -15.351 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.275 -15.609 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 66 32.082 -14.277 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.843 -15.787 8.878 1.00 0.00 H new ATOM 1081 N LEU A 67 29.497 -18.166 7.842 1.00 0.00 N ATOM 1082 CA LEU A 67 28.742 -18.986 8.809 1.00 0.00 C ATOM 1083 C LEU A 67 28.641 -20.433 8.284 1.00 0.00 C ATOM 1084 O LEU A 67 28.433 -21.378 9.060 1.00 0.00 O ATOM 1085 CB LEU A 67 27.314 -18.400 9.005 1.00 0.00 C ATOM 1086 CG LEU A 67 27.209 -16.846 9.123 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.743 -16.405 9.315 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.127 -16.286 10.231 1.00 0.00 C ATOM 0 H LEU A 67 28.902 -17.572 7.264 1.00 0.00 H new ATOM 0 HA LEU A 67 29.262 -18.980 9.767 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.695 -18.721 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.885 -18.840 9.905 1.00 0.00 H new ATOM 0 HG LEU A 67 27.563 -16.421 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.697 -15.319 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.150 -16.732 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.345 -16.852 10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.022 -15.202 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.845 -16.719 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.163 -16.541 10.008 1.00 0.00 H new ATOM 1100 N ASP A 68 28.757 -20.553 6.936 1.00 0.00 N ATOM 1101 CA ASP A 68 28.721 -21.826 6.189 1.00 0.00 C ATOM 1102 C ASP A 68 27.320 -22.455 6.312 1.00 0.00 C ATOM 1103 O ASP A 68 27.170 -23.674 6.447 1.00 0.00 O ATOM 1104 CB ASP A 68 29.882 -22.770 6.647 1.00 0.00 C ATOM 1105 CG ASP A 68 30.109 -23.990 5.735 1.00 0.00 C ATOM 1106 OD1 ASP A 68 30.545 -23.799 4.578 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.893 -25.146 6.173 1.00 0.00 O ATOM 0 H ASP A 68 28.881 -19.743 6.328 1.00 0.00 H new ATOM 0 HA ASP A 68 28.894 -21.646 5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.805 -22.192 6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.671 -23.121 7.657 1.00 0.00 H new ATOM 1112 N LEU A 69 26.285 -21.577 6.213 1.00 0.00 N ATOM 1113 CA LEU A 69 24.869 -21.966 6.372 1.00 0.00 C ATOM 1114 C LEU A 69 24.458 -23.053 5.366 1.00 0.00 C ATOM 1115 O LEU A 69 23.608 -23.871 5.676 1.00 0.00 O ATOM 1116 CB LEU A 69 23.910 -20.758 6.224 1.00 0.00 C ATOM 1117 CG LEU A 69 24.009 -19.649 7.316 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.012 -18.511 7.025 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.793 -20.231 8.736 1.00 0.00 C ATOM 0 H LEU A 69 26.415 -20.584 6.021 1.00 0.00 H new ATOM 0 HA LEU A 69 24.784 -22.362 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.091 -20.297 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.887 -21.135 6.213 1.00 0.00 H new ATOM 0 HG LEU A 69 25.017 -19.236 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.096 -17.747 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.236 -18.071 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.997 -18.909 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.869 -19.431 9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.805 -20.687 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.553 -20.985 8.940 1.00 0.00 H new ATOM 1131 N LYS A 70 25.075 -23.044 4.164 1.00 0.00 N ATOM 1132 CA LYS A 70 24.787 -24.020 3.076 1.00 0.00 C ATOM 1133 C LYS A 70 24.790 -25.480 3.600 1.00 0.00 C ATOM 1134 O LYS A 70 23.921 -26.291 3.223 1.00 0.00 O ATOM 1135 CB LYS A 70 25.831 -23.854 1.935 1.00 0.00 C ATOM 1136 CG LYS A 70 25.682 -24.833 0.743 1.00 0.00 C ATOM 1137 CD LYS A 70 24.349 -24.655 -0.023 1.00 0.00 C ATOM 1138 CE LYS A 70 24.157 -25.704 -1.132 1.00 0.00 C ATOM 1139 NZ LYS A 70 22.891 -25.508 -1.883 1.00 0.00 N ATOM 0 H LYS A 70 25.790 -22.360 3.915 1.00 0.00 H new ATOM 0 HA LYS A 70 23.789 -23.813 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.768 -22.834 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.828 -23.975 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.513 -24.686 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.750 -25.857 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.519 -24.720 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.317 -23.658 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.998 -25.656 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.164 -26.701 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.807 -26.238 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.085 -25.580 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.893 -24.568 -2.327 1.00 0.00 H new ATOM 1153 N ASN A 71 25.752 -25.766 4.504 1.00 0.00 N ATOM 1154 CA ASN A 71 25.917 -27.083 5.147 1.00 0.00 C ATOM 1155 C ASN A 71 24.630 -27.534 5.872 1.00 0.00 C ATOM 1156 O ASN A 71 24.217 -28.693 5.741 1.00 0.00 O ATOM 1157 CB ASN A 71 27.105 -27.044 6.139 1.00 0.00 C ATOM 1158 CG ASN A 71 27.393 -28.388 6.831 1.00 0.00 C ATOM 1159 OD1 ASN A 71 26.863 -28.682 7.903 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.225 -29.222 6.224 1.00 0.00 N ATOM 0 H ASN A 71 26.442 -25.080 4.809 1.00 0.00 H new ATOM 0 HA ASN A 71 26.124 -27.811 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.000 -26.724 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 71 26.903 -26.292 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.437 -30.127 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.653 -28.959 5.336 1.00 0.00 H new ATOM 1167 N LYS A 72 23.997 -26.620 6.641 1.00 0.00 N ATOM 1168 CA LYS A 72 22.730 -26.932 7.333 1.00 0.00 C ATOM 1169 C LYS A 72 21.543 -26.839 6.354 1.00 0.00 C ATOM 1170 O LYS A 72 20.621 -27.635 6.456 1.00 0.00 O ATOM 1171 CB LYS A 72 22.502 -26.033 8.594 1.00 0.00 C ATOM 1172 CG LYS A 72 22.195 -24.547 8.329 1.00 0.00 C ATOM 1173 CD LYS A 72 22.022 -23.734 9.639 1.00 0.00 C ATOM 1174 CE LYS A 72 20.745 -24.106 10.412 1.00 0.00 C ATOM 1175 NZ LYS A 72 20.623 -23.394 11.710 1.00 0.00 N ATOM 0 H LYS A 72 24.339 -25.672 6.796 1.00 0.00 H new ATOM 0 HA LYS A 72 22.800 -27.958 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.678 -26.455 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.392 -26.092 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.002 -24.112 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.286 -24.468 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.889 -23.898 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.999 -22.671 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.875 -23.878 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 72 20.736 -25.181 10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.672 -24.081 12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.399 -22.708 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.712 -22.893 11.747 1.00 0.00 H new ATOM 1189 N LEU A 73 21.608 -25.910 5.363 1.00 0.00 N ATOM 1190 CA LEU A 73 20.467 -25.595 4.456 1.00 0.00 C ATOM 1191 C LEU A 73 20.084 -26.783 3.562 1.00 0.00 C ATOM 1192 O LEU A 73 18.912 -26.955 3.214 1.00 0.00 O ATOM 1193 CB LEU A 73 20.734 -24.335 3.583 1.00 0.00 C ATOM 1194 CG LEU A 73 20.892 -22.976 4.339 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.008 -21.789 3.363 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.754 -22.753 5.348 1.00 0.00 C ATOM 0 H LEU A 73 22.446 -25.361 5.170 1.00 0.00 H new ATOM 0 HA LEU A 73 19.624 -25.380 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.641 -24.509 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.915 -24.235 2.871 1.00 0.00 H new ATOM 0 HG LEU A 73 21.825 -23.032 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.116 -20.863 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.879 -21.928 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.110 -21.735 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.898 -21.798 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.799 -22.745 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.757 -23.557 6.084 1.00 0.00 H new ATOM 1208 N GLN A 74 21.081 -27.589 3.199 1.00 0.00 N ATOM 1209 CA GLN A 74 20.880 -28.786 2.352 1.00 0.00 C ATOM 1210 C GLN A 74 20.255 -29.970 3.137 1.00 0.00 C ATOM 1211 O GLN A 74 19.832 -30.957 2.522 1.00 0.00 O ATOM 1212 CB GLN A 74 22.233 -29.197 1.714 1.00 0.00 C ATOM 1213 CG GLN A 74 23.346 -29.504 2.731 1.00 0.00 C ATOM 1214 CD GLN A 74 24.713 -29.712 2.085 1.00 0.00 C ATOM 1215 OE1 GLN A 74 25.093 -30.829 1.746 1.00 0.00 O ATOM 1216 NE2 GLN A 74 25.452 -28.625 1.896 1.00 0.00 N ATOM 0 H GLN A 74 22.051 -27.440 3.477 1.00 0.00 H new ATOM 0 HA GLN A 74 20.168 -28.528 1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.075 -30.077 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.569 -28.396 1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.411 -28.684 3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.078 -30.398 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 74 25.103 -27.713 2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 74 26.369 -28.702 1.456 1.00 0.00 H new ATOM 1225 N THR A 75 20.185 -29.868 4.484 1.00 0.00 N ATOM 1226 CA THR A 75 19.709 -30.977 5.351 1.00 0.00 C ATOM 1227 C THR A 75 18.593 -30.547 6.345 1.00 0.00 C ATOM 1228 O THR A 75 18.052 -31.395 7.068 1.00 0.00 O ATOM 1229 CB THR A 75 20.914 -31.654 6.110 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.463 -32.798 6.863 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.657 -30.683 7.049 1.00 0.00 C ATOM 0 H THR A 75 20.452 -29.028 4.998 1.00 0.00 H new ATOM 0 HA THR A 75 19.255 -31.712 4.686 1.00 0.00 H new ATOM 0 HB THR A 75 21.619 -31.969 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.509 -32.701 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.475 -31.208 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.057 -29.851 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.965 -30.302 7.800 1.00 0.00 H new ATOM 1239 N LEU A 76 18.234 -29.237 6.396 1.00 0.00 N ATOM 1240 CA LEU A 76 17.054 -28.770 7.186 1.00 0.00 C ATOM 1241 C LEU A 76 15.778 -28.715 6.311 1.00 0.00 C ATOM 1242 O LEU A 76 15.753 -29.238 5.191 1.00 0.00 O ATOM 1243 CB LEU A 76 17.340 -27.396 7.899 1.00 0.00 C ATOM 1244 CG LEU A 76 17.952 -26.210 7.069 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.130 -25.807 5.841 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.216 -24.980 7.961 1.00 0.00 C ATOM 0 H LEU A 76 18.733 -28.493 5.909 1.00 0.00 H new ATOM 0 HA LEU A 76 16.874 -29.502 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.400 -27.046 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.014 -27.594 8.733 1.00 0.00 H new ATOM 0 HG LEU A 76 18.898 -26.594 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.624 -24.982 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.045 -26.658 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.135 -25.494 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 76 18.639 -24.177 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.279 -24.645 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 76 18.917 -25.248 8.752 1.00 0.00 H new ATOM 1258 N SER A 77 14.719 -28.075 6.845 1.00 0.00 N ATOM 1259 CA SER A 77 13.470 -27.785 6.109 1.00 0.00 C ATOM 1260 C SER A 77 13.447 -26.311 5.651 1.00 0.00 C ATOM 1261 O SER A 77 14.089 -25.460 6.275 1.00 0.00 O ATOM 1262 CB SER A 77 12.263 -28.074 7.028 1.00 0.00 C ATOM 1263 OG SER A 77 12.326 -29.397 7.546 1.00 0.00 O ATOM 0 H SER A 77 14.705 -27.741 7.809 1.00 0.00 H new ATOM 0 HA SER A 77 13.416 -28.420 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.246 -27.358 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.336 -27.941 6.470 1.00 0.00 H new ATOM 0 HG SER A 77 11.553 -29.558 8.127 1.00 0.00 H new ATOM 1269 N ASP A 78 12.677 -26.002 4.586 1.00 0.00 N ATOM 1270 CA ASP A 78 12.535 -24.617 4.054 1.00 0.00 C ATOM 1271 C ASP A 78 11.991 -23.643 5.120 1.00 0.00 C ATOM 1272 O ASP A 78 12.220 -22.434 5.034 1.00 0.00 O ATOM 1273 CB ASP A 78 11.627 -24.596 2.800 1.00 0.00 C ATOM 1274 CG ASP A 78 12.242 -25.330 1.592 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.977 -24.691 0.800 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.996 -26.545 1.431 1.00 0.00 O ATOM 0 H ASP A 78 12.137 -26.696 4.069 1.00 0.00 H new ATOM 0 HA ASP A 78 13.533 -24.281 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.669 -25.054 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.424 -23.561 2.523 1.00 0.00 H new ATOM 1281 N ASP A 79 11.288 -24.197 6.123 1.00 0.00 N ATOM 1282 CA ASP A 79 10.748 -23.439 7.267 1.00 0.00 C ATOM 1283 C ASP A 79 11.886 -22.894 8.160 1.00 0.00 C ATOM 1284 O ASP A 79 11.805 -21.782 8.685 1.00 0.00 O ATOM 1285 CB ASP A 79 9.800 -24.347 8.090 1.00 0.00 C ATOM 1286 CG ASP A 79 8.829 -23.555 8.985 1.00 0.00 C ATOM 1287 OD1 ASP A 79 9.189 -23.201 10.132 1.00 0.00 O ATOM 1288 OD2 ASP A 79 7.691 -23.289 8.538 1.00 0.00 O ATOM 0 H ASP A 79 11.076 -25.194 6.163 1.00 0.00 H new ATOM 0 HA ASP A 79 10.188 -22.585 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.226 -24.975 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.396 -25.014 8.713 1.00 0.00 H new ATOM 1293 N GLU A 80 12.948 -23.699 8.305 1.00 0.00 N ATOM 1294 CA GLU A 80 14.132 -23.363 9.125 1.00 0.00 C ATOM 1295 C GLU A 80 15.024 -22.320 8.421 1.00 0.00 C ATOM 1296 O GLU A 80 15.731 -21.535 9.078 1.00 0.00 O ATOM 1297 CB GLU A 80 14.899 -24.666 9.468 1.00 0.00 C ATOM 1298 CG GLU A 80 14.024 -25.736 10.169 1.00 0.00 C ATOM 1299 CD GLU A 80 14.791 -26.999 10.581 1.00 0.00 C ATOM 1300 OE1 GLU A 80 15.529 -26.958 11.591 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.662 -28.036 9.902 1.00 0.00 O ATOM 0 H GLU A 80 13.015 -24.611 7.854 1.00 0.00 H new ATOM 0 HA GLU A 80 13.810 -22.900 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.309 -25.088 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.744 -24.421 10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.569 -25.294 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.210 -26.019 9.501 1.00 0.00 H new ATOM 1308 N LYS A 81 14.950 -22.298 7.082 1.00 0.00 N ATOM 1309 CA LYS A 81 15.567 -21.239 6.258 1.00 0.00 C ATOM 1310 C LYS A 81 14.896 -19.888 6.567 1.00 0.00 C ATOM 1311 O LYS A 81 15.569 -18.867 6.763 1.00 0.00 O ATOM 1312 CB LYS A 81 15.402 -21.562 4.760 1.00 0.00 C ATOM 1313 CG LYS A 81 16.007 -22.890 4.306 1.00 0.00 C ATOM 1314 CD LYS A 81 15.775 -23.155 2.805 1.00 0.00 C ATOM 1315 CE LYS A 81 16.262 -24.543 2.372 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.952 -24.814 0.948 1.00 0.00 N ATOM 0 H LYS A 81 14.463 -23.010 6.538 1.00 0.00 H new ATOM 0 HA LYS A 81 16.630 -21.185 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.338 -21.566 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.856 -20.758 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.077 -22.888 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.572 -23.703 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.712 -23.061 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.292 -22.394 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.338 -24.617 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.795 -25.304 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.296 -25.761 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.923 -24.768 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.419 -24.103 0.350 1.00 0.00 H new ATOM 1330 N LEU A 82 13.550 -19.926 6.597 1.00 0.00 N ATOM 1331 CA LEU A 82 12.693 -18.780 6.952 1.00 0.00 C ATOM 1332 C LEU A 82 13.040 -18.245 8.355 1.00 0.00 C ATOM 1333 O LEU A 82 13.055 -17.029 8.574 1.00 0.00 O ATOM 1334 CB LEU A 82 11.207 -19.215 6.909 1.00 0.00 C ATOM 1335 CG LEU A 82 10.657 -19.655 5.514 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.298 -20.373 5.638 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.542 -18.454 4.583 1.00 0.00 C ATOM 0 H LEU A 82 13.020 -20.768 6.372 1.00 0.00 H new ATOM 0 HA LEU A 82 12.865 -17.981 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.072 -20.041 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.597 -18.388 7.272 1.00 0.00 H new ATOM 0 HG LEU A 82 11.367 -20.364 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.948 -20.663 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.412 -21.262 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.572 -19.701 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.158 -18.779 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.861 -17.721 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.525 -18.002 4.449 1.00 0.00 H new ATOM 1349 N GLU A 83 13.304 -19.182 9.299 1.00 0.00 N ATOM 1350 CA GLU A 83 13.739 -18.846 10.672 1.00 0.00 C ATOM 1351 C GLU A 83 15.042 -18.017 10.657 1.00 0.00 C ATOM 1352 O GLU A 83 15.103 -16.962 11.287 1.00 0.00 O ATOM 1353 CB GLU A 83 13.934 -20.127 11.535 1.00 0.00 C ATOM 1354 CG GLU A 83 12.666 -20.985 11.720 1.00 0.00 C ATOM 1355 CD GLU A 83 12.860 -22.156 12.697 1.00 0.00 C ATOM 1356 OE1 GLU A 83 12.930 -21.913 13.917 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.938 -23.315 12.258 1.00 0.00 O ATOM 0 H GLU A 83 13.221 -20.184 9.129 1.00 0.00 H new ATOM 0 HA GLU A 83 12.949 -18.245 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.708 -20.742 11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.302 -19.833 12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.856 -20.351 12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.357 -21.377 10.751 1.00 0.00 H new ATOM 1364 N LEU A 84 16.058 -18.500 9.915 1.00 0.00 N ATOM 1365 CA LEU A 84 17.380 -17.826 9.803 1.00 0.00 C ATOM 1366 C LEU A 84 17.248 -16.387 9.242 1.00 0.00 C ATOM 1367 O LEU A 84 17.884 -15.445 9.754 1.00 0.00 O ATOM 1368 CB LEU A 84 18.325 -18.672 8.914 1.00 0.00 C ATOM 1369 CG LEU A 84 18.749 -20.053 9.514 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.400 -20.955 8.451 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.685 -19.868 10.734 1.00 0.00 C ATOM 0 H LEU A 84 15.993 -19.364 9.376 1.00 0.00 H new ATOM 0 HA LEU A 84 17.803 -17.744 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.836 -18.846 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.225 -18.090 8.712 1.00 0.00 H new ATOM 0 HG LEU A 84 17.843 -20.552 9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.682 -21.906 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.691 -21.134 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.289 -20.465 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.963 -20.844 11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.583 -19.332 10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.168 -19.297 11.506 1.00 0.00 H new ATOM 1383 N LEU A 85 16.402 -16.240 8.204 1.00 0.00 N ATOM 1384 CA LEU A 85 16.111 -14.933 7.577 1.00 0.00 C ATOM 1385 C LEU A 85 15.457 -13.968 8.590 1.00 0.00 C ATOM 1386 O LEU A 85 15.821 -12.798 8.671 1.00 0.00 O ATOM 1387 CB LEU A 85 15.176 -15.124 6.354 1.00 0.00 C ATOM 1388 CG LEU A 85 15.762 -15.931 5.153 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.706 -16.109 4.041 1.00 0.00 C ATOM 1390 CD2 LEU A 85 17.050 -15.274 4.606 1.00 0.00 C ATOM 0 H LEU A 85 15.902 -17.020 7.777 1.00 0.00 H new ATOM 0 HA LEU A 85 17.054 -14.498 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.269 -15.625 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.881 -14.139 5.992 1.00 0.00 H new ATOM 0 HG LEU A 85 16.033 -16.922 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.139 -16.674 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.846 -16.648 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.387 -15.130 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.432 -15.861 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.827 -14.263 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.801 -15.234 5.395 1.00 0.00 H new ATOM 1402 N SER A 86 14.498 -14.497 9.373 1.00 0.00 N ATOM 1403 CA SER A 86 13.757 -13.718 10.384 1.00 0.00 C ATOM 1404 C SER A 86 14.659 -13.350 11.577 1.00 0.00 C ATOM 1405 O SER A 86 14.424 -12.345 12.256 1.00 0.00 O ATOM 1406 CB SER A 86 12.537 -14.527 10.861 1.00 0.00 C ATOM 1407 OG SER A 86 11.685 -14.854 9.779 1.00 0.00 O ATOM 0 H SER A 86 14.215 -15.476 9.323 1.00 0.00 H new ATOM 0 HA SER A 86 13.420 -12.787 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.872 -15.440 11.352 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.983 -13.951 11.603 1.00 0.00 H new ATOM 0 HG SER A 86 12.057 -15.617 9.289 1.00 0.00 H new ATOM 1413 N SER A 87 15.689 -14.181 11.816 1.00 0.00 N ATOM 1414 CA SER A 87 16.647 -13.984 12.913 1.00 0.00 C ATOM 1415 C SER A 87 17.672 -12.890 12.573 1.00 0.00 C ATOM 1416 O SER A 87 18.143 -12.178 13.475 1.00 0.00 O ATOM 1417 CB SER A 87 17.372 -15.310 13.235 1.00 0.00 C ATOM 1418 OG SER A 87 16.460 -16.304 13.646 1.00 0.00 O ATOM 0 H SER A 87 15.879 -15.009 11.251 1.00 0.00 H new ATOM 0 HA SER A 87 16.087 -13.660 13.790 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.915 -15.653 12.355 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.110 -15.143 14.020 1.00 0.00 H new ATOM 0 HG SER A 87 15.941 -16.612 12.874 1.00 0.00 H new ATOM 1424 N ASP A 88 18.021 -12.753 11.275 1.00 0.00 N ATOM 1425 CA ASP A 88 19.036 -11.773 10.843 1.00 0.00 C ATOM 1426 C ASP A 88 18.619 -11.081 9.531 1.00 0.00 C ATOM 1427 O ASP A 88 18.459 -11.741 8.500 1.00 0.00 O ATOM 1428 CB ASP A 88 20.400 -12.481 10.684 1.00 0.00 C ATOM 1429 CG ASP A 88 21.592 -11.516 10.664 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.998 -11.042 11.747 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.123 -11.222 9.576 1.00 0.00 O ATOM 0 H ASP A 88 17.618 -13.304 10.517 1.00 0.00 H new ATOM 0 HA ASP A 88 19.123 -10.998 11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.530 -13.190 11.502 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.395 -13.059 9.760 1.00 0.00 H new ATOM 1436 N GLY A 89 18.466 -9.742 9.586 1.00 0.00 N ATOM 1437 CA GLY A 89 18.068 -8.945 8.422 1.00 0.00 C ATOM 1438 C GLY A 89 19.170 -8.789 7.381 1.00 0.00 C ATOM 1439 O GLY A 89 18.892 -8.497 6.220 1.00 0.00 O ATOM 0 H GLY A 89 18.615 -9.193 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.201 -9.410 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.756 -7.956 8.759 1.00 0.00 H new ATOM 1443 N MET A 90 20.434 -8.963 7.802 1.00 0.00 N ATOM 1444 CA MET A 90 21.587 -8.967 6.879 1.00 0.00 C ATOM 1445 C MET A 90 21.687 -10.319 6.145 1.00 0.00 C ATOM 1446 O MET A 90 22.250 -10.387 5.042 1.00 0.00 O ATOM 1447 CB MET A 90 22.903 -8.663 7.635 1.00 0.00 C ATOM 1448 CG MET A 90 22.965 -7.308 8.357 1.00 0.00 C ATOM 1449 SD MET A 90 23.077 -5.875 7.246 1.00 0.00 S ATOM 1450 CE MET A 90 21.366 -5.413 6.979 1.00 0.00 C ATOM 0 H MET A 90 20.686 -9.104 8.780 1.00 0.00 H new ATOM 0 HA MET A 90 21.431 -8.181 6.140 1.00 0.00 H new ATOM 0 HB2 MET A 90 23.068 -9.452 8.369 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.727 -8.712 6.924 1.00 0.00 H new ATOM 0 HG2 MET A 90 22.078 -7.201 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.827 -7.304 9.024 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.294 -4.781 6.094 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.765 -6.311 6.834 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.997 -4.866 7.847 1.00 0.00 H new ATOM 1460 N LEU A 91 21.179 -11.405 6.784 1.00 0.00 N ATOM 1461 CA LEU A 91 21.036 -12.724 6.134 1.00 0.00 C ATOM 1462 C LEU A 91 20.007 -12.663 5.010 1.00 0.00 C ATOM 1463 O LEU A 91 20.090 -13.439 4.063 1.00 0.00 O ATOM 1464 CB LEU A 91 20.667 -13.846 7.155 1.00 0.00 C ATOM 1465 CG LEU A 91 21.856 -14.464 7.954 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.373 -15.610 8.879 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.969 -14.940 6.998 1.00 0.00 C ATOM 0 H LEU A 91 20.862 -11.387 7.753 1.00 0.00 H new ATOM 0 HA LEU A 91 22.007 -12.979 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.949 -13.439 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.162 -14.648 6.616 1.00 0.00 H new ATOM 0 HG LEU A 91 22.276 -13.687 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.223 -16.021 9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.642 -15.222 9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.914 -16.394 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.788 -15.367 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.569 -15.696 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.337 -14.094 6.418 1.00 0.00 H new ATOM 1479 N VAL A 92 19.026 -11.757 5.136 1.00 0.00 N ATOM 1480 CA VAL A 92 18.144 -11.421 4.012 1.00 0.00 C ATOM 1481 C VAL A 92 18.877 -10.402 3.115 1.00 0.00 C ATOM 1482 O VAL A 92 19.717 -9.624 3.600 1.00 0.00 O ATOM 1483 CB VAL A 92 16.746 -10.838 4.449 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.710 -10.961 3.293 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.226 -11.505 5.734 1.00 0.00 C ATOM 0 H VAL A 92 18.826 -11.249 5.997 1.00 0.00 H new ATOM 0 HA VAL A 92 17.925 -12.346 3.479 1.00 0.00 H new ATOM 0 HB VAL A 92 16.886 -9.780 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.753 -10.552 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.066 -10.406 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.585 -12.011 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.261 -11.076 6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.113 -12.576 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.935 -11.336 6.544 1.00 0.00 H new ATOM 1495 N LYS A 93 18.584 -10.437 1.814 1.00 0.00 N ATOM 1496 CA LYS A 93 19.146 -9.491 0.847 1.00 0.00 C ATOM 1497 C LYS A 93 18.675 -8.066 1.189 1.00 0.00 C ATOM 1498 O LYS A 93 17.468 -7.797 1.185 1.00 0.00 O ATOM 1499 CB LYS A 93 18.713 -9.893 -0.579 1.00 0.00 C ATOM 1500 CG LYS A 93 19.221 -11.289 -1.025 1.00 0.00 C ATOM 1501 CD LYS A 93 20.599 -11.252 -1.739 1.00 0.00 C ATOM 1502 CE LYS A 93 20.478 -10.857 -3.222 1.00 0.00 C ATOM 1503 NZ LYS A 93 19.677 -11.859 -3.986 1.00 0.00 N ATOM 0 H LYS A 93 17.951 -11.121 1.401 1.00 0.00 H new ATOM 0 HA LYS A 93 20.235 -9.513 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.624 -9.880 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.077 -9.144 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.292 -11.937 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.486 -11.736 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.251 -10.543 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.071 -12.231 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.010 -9.876 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.472 -10.772 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.767 -11.671 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.028 -12.816 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.677 -11.789 -3.708 1.00 0.00 H new ATOM 1517 N ARG A 94 19.652 -7.194 1.529 1.00 0.00 N ATOM 1518 CA ARG A 94 19.415 -5.772 1.857 1.00 0.00 C ATOM 1519 C ARG A 94 18.538 -5.061 0.784 1.00 0.00 C ATOM 1520 O ARG A 94 17.604 -4.364 1.154 1.00 0.00 O ATOM 1521 CB ARG A 94 20.758 -5.009 2.072 1.00 0.00 C ATOM 1522 CG ARG A 94 21.686 -5.622 3.144 1.00 0.00 C ATOM 1523 CD ARG A 94 23.071 -4.941 3.188 1.00 0.00 C ATOM 1524 NE ARG A 94 23.952 -5.543 4.215 1.00 0.00 N ATOM 1525 CZ ARG A 94 25.205 -5.994 4.012 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.772 -5.956 2.806 1.00 0.00 N ATOM 1527 NH2 ARG A 94 25.883 -6.490 5.032 1.00 0.00 N ATOM 0 H ARG A 94 20.635 -7.461 1.583 1.00 0.00 H new ATOM 0 HA ARG A 94 18.859 -5.753 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.295 -4.973 1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.534 -3.979 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 94 21.212 -5.537 4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.814 -6.686 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 94 23.546 -5.022 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.946 -3.878 3.395 1.00 0.00 H new ATOM 0 HE ARG A 94 23.577 -5.623 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 94 25.255 -5.579 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 94 26.722 -6.304 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 94 25.457 -6.528 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.833 -6.835 4.893 1.00 0.00 H new ATOM 1541 N PRO A 95 18.811 -5.228 -0.563 1.00 0.00 N ATOM 1542 CA PRO A 95 17.847 -4.820 -1.592 1.00 0.00 C ATOM 1543 C PRO A 95 16.789 -5.923 -1.873 1.00 0.00 C ATOM 1544 O PRO A 95 17.112 -7.007 -2.389 1.00 0.00 O ATOM 1545 CB PRO A 95 18.741 -4.538 -2.817 1.00 0.00 C ATOM 1546 CG PRO A 95 19.973 -5.393 -2.645 1.00 0.00 C ATOM 1547 CD PRO A 95 20.066 -5.764 -1.182 1.00 0.00 C ATOM 0 HA PRO A 95 17.251 -3.956 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.222 -4.785 -3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.005 -3.482 -2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.909 -6.288 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.864 -4.850 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.139 -6.844 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.951 -5.327 -0.720 1.00 0.00 H new ATOM 1555 N LEU A 96 15.546 -5.637 -1.480 1.00 0.00 N ATOM 1556 CA LEU A 96 14.375 -6.485 -1.741 1.00 0.00 C ATOM 1557 C LEU A 96 13.153 -5.567 -1.870 1.00 0.00 C ATOM 1558 O LEU A 96 12.964 -4.666 -1.070 1.00 0.00 O ATOM 1559 CB LEU A 96 14.204 -7.561 -0.604 1.00 0.00 C ATOM 1560 CG LEU A 96 12.900 -8.465 -0.634 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.157 -9.886 -0.069 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.719 -7.823 0.126 1.00 0.00 C ATOM 0 H LEU A 96 15.318 -4.790 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 96 14.498 -7.045 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.071 -8.221 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.231 -7.043 0.355 1.00 0.00 H new ATOM 0 HG LEU A 96 12.632 -8.548 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.235 -10.466 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.925 -10.381 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.492 -9.811 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.852 -8.482 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.997 -7.670 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.473 -6.863 -0.328 1.00 0.00 H new ATOM 1574 N ALA A 97 12.342 -5.794 -2.895 1.00 0.00 N ATOM 1575 CA ALA A 97 11.043 -5.130 -3.063 1.00 0.00 C ATOM 1576 C ALA A 97 10.005 -6.224 -3.285 1.00 0.00 C ATOM 1577 O ALA A 97 10.094 -6.949 -4.267 1.00 0.00 O ATOM 1578 CB ALA A 97 11.092 -4.132 -4.237 1.00 0.00 C ATOM 0 H ALA A 97 12.564 -6.450 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 97 10.781 -4.548 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.120 -3.650 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.852 -3.376 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.338 -4.663 -5.156 1.00 0.00 H new ATOM 1584 N VAL A 98 9.060 -6.377 -2.353 1.00 0.00 N ATOM 1585 CA VAL A 98 8.022 -7.422 -2.421 1.00 0.00 C ATOM 1586 C VAL A 98 6.624 -6.798 -2.299 1.00 0.00 C ATOM 1587 O VAL A 98 6.456 -5.694 -1.792 1.00 0.00 O ATOM 1588 CB VAL A 98 8.247 -8.528 -1.309 1.00 0.00 C ATOM 1589 CG1 VAL A 98 8.063 -7.983 0.130 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.363 -9.778 -1.541 1.00 0.00 C ATOM 0 H VAL A 98 8.989 -5.782 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 98 8.097 -7.911 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 98 9.289 -8.832 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.230 -8.786 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.779 -7.181 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.050 -7.597 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.552 -10.508 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.312 -9.489 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.602 -10.218 -2.509 1.00 0.00 H new ATOM 1600 N MET A 99 5.635 -7.525 -2.799 1.00 0.00 N ATOM 1601 CA MET A 99 4.216 -7.185 -2.696 1.00 0.00 C ATOM 1602 C MET A 99 3.461 -8.508 -2.419 1.00 0.00 C ATOM 1603 O MET A 99 4.086 -9.577 -2.322 1.00 0.00 O ATOM 1604 CB MET A 99 3.740 -6.512 -4.030 1.00 0.00 C ATOM 1605 CG MET A 99 2.412 -5.728 -3.938 1.00 0.00 C ATOM 1606 SD MET A 99 1.447 -5.797 -5.469 1.00 0.00 S ATOM 1607 CE MET A 99 2.539 -5.008 -6.660 1.00 0.00 C ATOM 0 H MET A 99 5.799 -8.396 -3.304 1.00 0.00 H new ATOM 0 HA MET A 99 4.023 -6.474 -1.893 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.520 -5.833 -4.373 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.634 -7.286 -4.790 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.815 -6.129 -3.119 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.626 -4.687 -3.696 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.062 -4.109 -7.051 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.476 -4.739 -6.172 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.742 -5.697 -7.480 1.00 0.00 H new ATOM 1617 N GLY A 100 2.124 -8.462 -2.310 1.00 0.00 N ATOM 1618 CA GLY A 100 1.316 -9.679 -2.140 1.00 0.00 C ATOM 1619 C GLY A 100 1.004 -10.406 -3.455 1.00 0.00 C ATOM 1620 O GLY A 100 -0.060 -11.021 -3.577 1.00 0.00 O ATOM 0 H GLY A 100 1.582 -7.599 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.842 -10.363 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.378 -9.416 -1.650 1.00 0.00 H new ATOM 1624 N ASP A 101 1.955 -10.374 -4.413 1.00 0.00 N ATOM 1625 CA ASP A 101 1.756 -10.893 -5.786 1.00 0.00 C ATOM 1626 C ASP A 101 3.071 -10.804 -6.582 1.00 0.00 C ATOM 1627 O ASP A 101 3.475 -11.757 -7.259 1.00 0.00 O ATOM 1628 CB ASP A 101 0.639 -10.087 -6.515 1.00 0.00 C ATOM 1629 CG ASP A 101 0.393 -10.522 -7.972 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -0.310 -11.534 -8.195 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.891 -9.851 -8.900 1.00 0.00 O ATOM 0 H ASP A 101 2.886 -9.987 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 101 1.450 -11.937 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.291 -10.189 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.903 -9.030 -6.503 1.00 0.00 H new ATOM 1636 N LYS A 102 3.742 -9.644 -6.474 1.00 0.00 N ATOM 1637 CA LYS A 102 4.966 -9.325 -7.257 1.00 0.00 C ATOM 1638 C LYS A 102 6.199 -9.203 -6.343 1.00 0.00 C ATOM 1639 O LYS A 102 6.053 -8.931 -5.154 1.00 0.00 O ATOM 1640 CB LYS A 102 4.757 -8.006 -8.055 1.00 0.00 C ATOM 1641 CG LYS A 102 3.784 -8.083 -9.251 1.00 0.00 C ATOM 1642 CD LYS A 102 4.215 -9.137 -10.298 1.00 0.00 C ATOM 1643 CE LYS A 102 3.443 -9.023 -11.620 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.973 -9.131 -11.438 1.00 0.00 N ATOM 0 H LYS A 102 3.457 -8.895 -5.843 1.00 0.00 H new ATOM 0 HA LYS A 102 5.146 -10.143 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.395 -7.242 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.727 -7.670 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.785 -8.324 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.722 -7.105 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.281 -9.029 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.068 -10.134 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.677 -8.068 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.779 -9.805 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.593 -9.843 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.764 -9.416 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.531 -8.210 -11.632 1.00 0.00 H new ATOM 1658 N ILE A 103 7.419 -9.386 -6.915 1.00 0.00 N ATOM 1659 CA ILE A 103 8.695 -9.303 -6.147 1.00 0.00 C ATOM 1660 C ILE A 103 9.932 -9.125 -7.077 1.00 0.00 C ATOM 1661 O ILE A 103 9.917 -9.548 -8.239 1.00 0.00 O ATOM 1662 CB ILE A 103 8.896 -10.570 -5.225 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.060 -10.353 -4.191 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.122 -11.845 -6.077 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.187 -11.428 -3.125 1.00 0.00 C ATOM 0 H ILE A 103 7.548 -9.592 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 103 8.617 -8.417 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 103 7.980 -10.712 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.002 -10.291 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.913 -9.392 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.258 -12.703 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.256 -12.013 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.011 -11.717 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.018 -11.187 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.264 -11.478 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.370 -12.392 -3.600 1.00 0.00 H new ATOM 1677 N THR A 104 10.990 -8.484 -6.528 1.00 0.00 N ATOM 1678 CA THR A 104 12.310 -8.298 -7.169 1.00 0.00 C ATOM 1679 C THR A 104 13.409 -8.351 -6.079 1.00 0.00 C ATOM 1680 O THR A 104 13.238 -7.758 -5.006 1.00 0.00 O ATOM 1681 CB THR A 104 12.398 -6.924 -7.925 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.941 -5.866 -7.066 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.582 -6.901 -9.226 1.00 0.00 C ATOM 0 H THR A 104 10.946 -8.069 -5.597 1.00 0.00 H new ATOM 0 HA THR A 104 12.451 -9.094 -7.900 1.00 0.00 H new ATOM 0 HB THR A 104 13.445 -6.781 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.961 -5.845 -7.066 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.683 -5.926 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.951 -7.674 -9.901 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.532 -7.087 -9.000 1.00 0.00 H new ATOM 1691 N LEU A 105 14.511 -9.083 -6.341 1.00 0.00 N ATOM 1692 CA LEU A 105 15.665 -9.196 -5.405 1.00 0.00 C ATOM 1693 C LEU A 105 16.919 -8.568 -6.027 1.00 0.00 C ATOM 1694 O LEU A 105 17.308 -8.938 -7.132 1.00 0.00 O ATOM 1695 CB LEU A 105 15.947 -10.687 -5.022 1.00 0.00 C ATOM 1696 CG LEU A 105 15.260 -11.221 -3.740 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.771 -10.481 -2.501 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.729 -11.159 -3.852 1.00 0.00 C ATOM 0 H LEU A 105 14.633 -9.614 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 105 15.407 -8.656 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.642 -11.316 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.024 -10.810 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 105 15.526 -12.272 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.275 -10.873 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.847 -10.626 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.555 -9.417 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.281 -11.542 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.417 -10.126 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.401 -11.766 -4.696 1.00 0.00 H new ATOM 1710 N GLY A 106 17.564 -7.667 -5.271 1.00 0.00 N ATOM 1711 CA GLY A 106 18.746 -6.930 -5.741 1.00 0.00 C ATOM 1712 C GLY A 106 18.401 -5.763 -6.656 1.00 0.00 C ATOM 1713 O GLY A 106 17.219 -5.533 -6.952 1.00 0.00 O ATOM 0 H GLY A 106 17.282 -7.430 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.299 -6.556 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.407 -7.616 -6.271 1.00 0.00 H new ATOM 1717 N PHE A 107 19.430 -5.002 -7.103 1.00 0.00 N ATOM 1718 CA PHE A 107 19.237 -3.942 -8.108 1.00 0.00 C ATOM 1719 C PHE A 107 19.118 -4.586 -9.492 1.00 0.00 C ATOM 1720 O PHE A 107 20.093 -4.692 -10.247 1.00 0.00 O ATOM 1721 CB PHE A 107 20.363 -2.868 -8.108 1.00 0.00 C ATOM 1722 CG PHE A 107 20.016 -1.667 -8.998 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.950 -0.829 -8.669 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.719 -1.394 -10.173 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.601 0.233 -9.482 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.372 -0.328 -10.979 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.312 0.483 -10.635 1.00 0.00 C ATOM 0 H PHE A 107 20.393 -5.106 -6.783 1.00 0.00 H new ATOM 0 HA PHE A 107 18.321 -3.412 -7.847 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.536 -2.525 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.293 -3.319 -8.455 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.389 -1.013 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.547 -2.027 -10.456 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.770 0.868 -9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.932 -0.129 -11.881 1.00 0.00 H new ATOM 0 HZ PHE A 107 19.039 1.314 -11.269 1.00 0.00 H new ATOM 1737 N LYS A 108 17.924 -5.079 -9.775 1.00 0.00 N ATOM 1738 CA LYS A 108 17.593 -5.700 -11.044 1.00 0.00 C ATOM 1739 C LYS A 108 16.655 -4.758 -11.782 1.00 0.00 C ATOM 1740 O LYS A 108 15.446 -4.849 -11.621 1.00 0.00 O ATOM 1741 CB LYS A 108 16.941 -7.079 -10.796 1.00 0.00 C ATOM 1742 CG LYS A 108 17.813 -8.096 -10.042 1.00 0.00 C ATOM 1743 CD LYS A 108 19.066 -8.517 -10.832 1.00 0.00 C ATOM 1744 CE LYS A 108 19.890 -9.583 -10.098 1.00 0.00 C ATOM 1745 NZ LYS A 108 21.063 -10.027 -10.898 1.00 0.00 N ATOM 0 H LYS A 108 17.145 -5.058 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 108 18.484 -5.871 -11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.019 -6.930 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.662 -7.508 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 108 18.119 -7.667 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.218 -8.981 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.765 -8.902 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.689 -7.641 -11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.232 -9.183 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.257 -10.442 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.593 -10.747 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.736 -10.432 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.681 -9.213 -11.089 1.00 0.00 H new ATOM 1759 N GLU A 109 17.234 -3.804 -12.530 1.00 0.00 N ATOM 1760 CA GLU A 109 16.476 -2.788 -13.282 1.00 0.00 C ATOM 1761 C GLU A 109 15.567 -3.463 -14.330 1.00 0.00 C ATOM 1762 O GLU A 109 14.424 -3.042 -14.558 1.00 0.00 O ATOM 1763 CB GLU A 109 17.453 -1.797 -13.961 1.00 0.00 C ATOM 1764 CG GLU A 109 16.762 -0.629 -14.683 1.00 0.00 C ATOM 1765 CD GLU A 109 17.735 0.277 -15.442 1.00 0.00 C ATOM 1766 OE1 GLU A 109 18.024 -0.011 -16.627 1.00 0.00 O ATOM 1767 OE2 GLU A 109 18.231 1.268 -14.861 1.00 0.00 O ATOM 0 H GLU A 109 18.245 -3.715 -12.631 1.00 0.00 H new ATOM 0 HA GLU A 109 15.843 -2.233 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.128 -1.395 -13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.066 -2.342 -14.679 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.027 -1.028 -15.383 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.216 -0.032 -13.953 1.00 0.00 H new ATOM 1774 N ASP A 110 16.108 -4.533 -14.941 1.00 0.00 N ATOM 1775 CA ASP A 110 15.381 -5.380 -15.899 1.00 0.00 C ATOM 1776 C ASP A 110 14.164 -6.051 -15.219 1.00 0.00 C ATOM 1777 O ASP A 110 13.048 -6.012 -15.751 1.00 0.00 O ATOM 1778 CB ASP A 110 16.337 -6.435 -16.506 1.00 0.00 C ATOM 1779 CG ASP A 110 15.660 -7.382 -17.524 1.00 0.00 C ATOM 1780 OD1 ASP A 110 15.610 -7.041 -18.729 1.00 0.00 O ATOM 1781 OD2 ASP A 110 15.180 -8.471 -17.122 1.00 0.00 O ATOM 0 H ASP A 110 17.069 -4.835 -14.781 1.00 0.00 H new ATOM 0 HA ASP A 110 15.004 -4.755 -16.708 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.164 -5.922 -16.996 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.765 -7.030 -15.699 1.00 0.00 H new ATOM 1786 N GLN A 111 14.378 -6.658 -14.033 1.00 0.00 N ATOM 1787 CA GLN A 111 13.275 -7.224 -13.243 1.00 0.00 C ATOM 1788 C GLN A 111 12.273 -6.141 -12.804 1.00 0.00 C ATOM 1789 O GLN A 111 11.087 -6.402 -12.794 1.00 0.00 O ATOM 1790 CB GLN A 111 13.802 -7.996 -12.016 1.00 0.00 C ATOM 1791 CG GLN A 111 14.511 -9.318 -12.353 1.00 0.00 C ATOM 1792 CD GLN A 111 13.542 -10.407 -12.806 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.263 -10.557 -13.994 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.003 -11.162 -11.857 1.00 0.00 N ATOM 0 H GLN A 111 15.299 -6.766 -13.608 1.00 0.00 H new ATOM 0 HA GLN A 111 12.749 -7.925 -13.891 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.494 -7.356 -11.469 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.967 -8.206 -11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.246 -9.142 -13.138 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.058 -9.666 -11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.256 -11.012 -10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.336 -11.893 -12.104 1.00 0.00 H new ATOM 1803 N TYR A 112 12.751 -4.922 -12.464 1.00 0.00 N ATOM 1804 CA TYR A 112 11.876 -3.824 -11.981 1.00 0.00 C ATOM 1805 C TYR A 112 10.856 -3.431 -13.069 1.00 0.00 C ATOM 1806 O TYR A 112 9.659 -3.298 -12.794 1.00 0.00 O ATOM 1807 CB TYR A 112 12.686 -2.565 -11.547 1.00 0.00 C ATOM 1808 CG TYR A 112 13.567 -2.690 -10.286 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.209 -3.504 -9.212 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.755 -1.954 -10.163 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.001 -3.584 -8.077 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.544 -2.040 -9.035 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.164 -2.854 -7.993 1.00 0.00 C ATOM 1814 OH TYR A 112 15.950 -2.934 -6.861 1.00 0.00 O ATOM 0 H TYR A 112 13.739 -4.672 -12.515 1.00 0.00 H new ATOM 0 HA TYR A 112 11.353 -4.201 -11.102 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.327 -2.273 -12.379 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.981 -1.749 -11.386 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.299 -4.082 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.059 -1.305 -10.971 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.704 -4.221 -7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.459 -1.469 -8.970 1.00 0.00 H new ATOM 0 HH TYR A 112 16.406 -3.801 -6.840 1.00 0.00 H new ATOM 1824 N LYS A 113 11.348 -3.280 -14.313 1.00 0.00 N ATOM 1825 CA LYS A 113 10.496 -2.928 -15.463 1.00 0.00 C ATOM 1826 C LYS A 113 9.591 -4.101 -15.875 1.00 0.00 C ATOM 1827 O LYS A 113 8.499 -3.900 -16.415 1.00 0.00 O ATOM 1828 CB LYS A 113 11.354 -2.371 -16.650 1.00 0.00 C ATOM 1829 CG LYS A 113 12.384 -3.327 -17.320 1.00 0.00 C ATOM 1830 CD LYS A 113 11.769 -4.297 -18.366 1.00 0.00 C ATOM 1831 CE LYS A 113 12.811 -5.230 -19.006 1.00 0.00 C ATOM 1832 NZ LYS A 113 12.194 -6.194 -19.950 1.00 0.00 N ATOM 0 H LYS A 113 12.334 -3.397 -14.547 1.00 0.00 H new ATOM 0 HA LYS A 113 9.827 -2.123 -15.158 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.669 -2.024 -17.423 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.896 -1.497 -16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.155 -2.729 -17.806 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.877 -3.913 -16.544 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.997 -4.898 -17.886 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.280 -3.716 -19.148 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.555 -4.633 -19.533 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.337 -5.776 -18.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.930 -6.599 -20.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.732 -6.956 -19.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.487 -5.704 -20.534 1.00 0.00 H new ATOM 1846 N GLU A 114 10.063 -5.327 -15.617 1.00 0.00 N ATOM 1847 CA GLU A 114 9.345 -6.559 -15.989 1.00 0.00 C ATOM 1848 C GLU A 114 8.238 -6.904 -14.960 1.00 0.00 C ATOM 1849 O GLU A 114 7.221 -7.520 -15.303 1.00 0.00 O ATOM 1850 CB GLU A 114 10.364 -7.720 -16.109 1.00 0.00 C ATOM 1851 CG GLU A 114 9.867 -8.937 -16.903 1.00 0.00 C ATOM 1852 CD GLU A 114 9.674 -8.638 -18.403 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.684 -8.590 -19.142 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.518 -8.442 -18.844 1.00 0.00 O ATOM 0 H GLU A 114 10.952 -5.496 -15.145 1.00 0.00 H new ATOM 0 HA GLU A 114 8.852 -6.404 -16.949 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.270 -7.341 -16.582 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.640 -8.047 -15.106 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.580 -9.754 -16.790 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.921 -9.278 -16.481 1.00 0.00 H new ATOM 1861 N THR A 115 8.450 -6.479 -13.702 1.00 0.00 N ATOM 1862 CA THR A 115 7.603 -6.860 -12.553 1.00 0.00 C ATOM 1863 C THR A 115 6.597 -5.746 -12.198 1.00 0.00 C ATOM 1864 O THR A 115 5.379 -5.955 -12.246 1.00 0.00 O ATOM 1865 CB THR A 115 8.506 -7.197 -11.317 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.382 -8.284 -11.648 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.714 -7.558 -10.056 1.00 0.00 C ATOM 0 H THR A 115 9.218 -5.857 -13.450 1.00 0.00 H new ATOM 0 HA THR A 115 7.029 -7.744 -12.831 1.00 0.00 H new ATOM 0 HB THR A 115 9.068 -6.291 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.179 -7.936 -12.100 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.405 -7.779 -9.243 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.078 -6.719 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.095 -8.433 -10.253 1.00 0.00 H new ATOM 1875 N TRP A 116 7.133 -4.563 -11.853 1.00 0.00 N ATOM 1876 CA TRP A 116 6.339 -3.434 -11.317 1.00 0.00 C ATOM 1877 C TRP A 116 5.726 -2.595 -12.447 1.00 0.00 C ATOM 1878 O TRP A 116 4.689 -1.954 -12.262 1.00 0.00 O ATOM 1879 CB TRP A 116 7.236 -2.524 -10.419 1.00 0.00 C ATOM 1880 CG TRP A 116 8.076 -3.276 -9.407 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.441 -3.345 -9.361 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.603 -4.076 -8.315 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.839 -4.132 -8.321 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.736 -4.592 -7.667 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.342 -4.404 -7.815 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.641 -5.418 -6.556 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.254 -5.225 -6.711 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.400 -5.726 -6.091 1.00 0.00 C ATOM 0 H TRP A 116 8.129 -4.358 -11.936 1.00 0.00 H new ATOM 0 HA TRP A 116 5.528 -3.852 -10.721 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.897 -1.941 -11.060 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.599 -1.816 -9.889 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.108 -2.848 -10.050 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.806 -4.342 -8.073 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.449 -4.021 -8.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.527 -5.805 -6.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.282 -5.485 -6.319 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.300 -6.368 -5.229 1.00 0.00 H new ATOM 1899 N LEU A 117 6.396 -2.596 -13.615 1.00 0.00 N ATOM 1900 CA LEU A 117 6.088 -1.676 -14.731 1.00 0.00 C ATOM 1901 C LEU A 117 5.527 -2.440 -15.940 1.00 0.00 C ATOM 1902 O LEU A 117 5.260 -3.646 -15.841 1.00 0.00 O ATOM 1903 CB LEU A 117 7.371 -0.885 -15.097 1.00 0.00 C ATOM 1904 CG LEU A 117 8.101 -0.228 -13.886 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.413 0.445 -14.306 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.172 0.757 -13.155 1.00 0.00 C ATOM 0 H LEU A 117 7.167 -3.234 -13.813 1.00 0.00 H new ATOM 0 HA LEU A 117 5.315 -0.973 -14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.065 -1.558 -15.600 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.109 -0.105 -15.812 1.00 0.00 H new ATOM 0 HG LEU A 117 8.363 -1.024 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.889 0.890 -13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.079 -0.298 -14.744 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.204 1.222 -15.041 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.703 1.203 -12.314 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.860 1.542 -13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.294 0.225 -12.788 1.00 0.00 H new ATOM 1918 N ALA A 118 5.364 -1.702 -17.068 1.00 0.00 N ATOM 1919 CA ALA A 118 4.737 -2.186 -18.317 1.00 0.00 C ATOM 1920 C ALA A 118 3.221 -2.436 -18.092 1.00 0.00 C ATOM 1921 O ALA A 118 2.461 -1.442 -18.072 1.00 0.00 O ATOM 1922 CB ALA A 118 5.464 -3.418 -18.910 1.00 0.00 C ATOM 1923 OXT ALA A 118 2.795 -3.596 -17.901 1.00 0.00 O ATOM 0 H ALA A 118 5.673 -0.732 -17.132 1.00 0.00 H new ATOM 0 HA ALA A 118 4.840 -1.405 -19.070 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.962 -3.731 -19.825 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.498 -3.157 -19.135 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.444 -4.234 -18.188 1.00 0.00 H new TER 1929 ALA A 118