USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 49 ASN : amide:sc= -0.239 X(o=-0.46,f=-0.067) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.224 K(o=-0.46,f=-3.2) USER MOD Set 2.1: A 18 THR OG1 : rot -55:sc= 1.31 USER MOD Set 2.2: A 20 ASN : amide:sc= 0.529 K(o=1.8,f=0.94) USER MOD Single : A 1 SER N :NH3+ -108:sc= 0.0674 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= -0.781! (180deg=-4.02!) USER MOD Single : A 5 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ -128:sc= 0.871 (180deg=-0.284) USER MOD Single : A 9 LYS NZ :NH3+ -114:sc= -0.141 (180deg=-1.77!) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : A 29 CYS SG : rot 84:sc= 0.23 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= 0.82 (180deg=0.034) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00528) USER MOD Single : A 38 THR OG1 : rot 168:sc= 0.251 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0.973 (180deg=-0.387) USER MOD Single : A 51 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0662 X(o=0.066,f=0) USER MOD Single : A 59 GLN : amide:sc= 0.0664 K(o=0.066,f=-3.2!) USER MOD Single : A 61 MET CE :methyl 133:sc= -0.541 (180deg=-3.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.411 USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -0.0308 (180deg=-0.333) USER MOD Single : A 69 CYS SG : rot -52:sc= -0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.521 -18.159 5.281 1.00 34.02 N ATOM 2 CA SER A 1 7.032 -17.175 6.271 1.00 41.45 C ATOM 3 C SER A 1 8.029 -16.200 5.612 1.00 63.02 C ATOM 4 O SER A 1 8.619 -16.504 4.568 1.00 64.53 O ATOM 5 CB SER A 1 7.700 -17.904 7.462 1.00 54.44 C ATOM 6 OG SER A 1 8.169 -16.988 8.442 1.00 43.31 O ATOM 0 H1 SER A 1 5.530 -17.941 5.055 1.00 34.02 H new ATOM 0 H2 SER A 1 7.093 -18.108 4.414 1.00 34.02 H new ATOM 0 H3 SER A 1 6.582 -19.117 5.680 1.00 34.02 H new ATOM 0 HA SER A 1 6.186 -16.598 6.644 1.00 41.45 H new ATOM 0 HB2 SER A 1 6.985 -18.589 7.917 1.00 54.44 H new ATOM 0 HB3 SER A 1 8.532 -18.507 7.099 1.00 54.44 H new ATOM 0 HG SER A 1 8.583 -17.482 9.180 1.00 43.31 H new ATOM 14 N HIS A 2 8.201 -15.015 6.228 1.00 21.13 N ATOM 15 CA HIS A 2 9.145 -13.972 5.758 1.00 30.13 C ATOM 16 C HIS A 2 10.089 -13.547 6.909 1.00 51.33 C ATOM 17 O HIS A 2 9.642 -13.366 8.047 1.00 31.40 O ATOM 18 CB HIS A 2 8.374 -12.725 5.236 1.00 42.13 C ATOM 19 CG HIS A 2 7.333 -13.013 4.182 1.00 51.14 C ATOM 20 ND1 HIS A 2 7.640 -13.500 2.929 1.00 64.40 N ATOM 21 CD2 HIS A 2 5.981 -12.888 4.206 1.00 33.14 C ATOM 22 CE1 HIS A 2 6.535 -13.659 2.234 1.00 70.42 C ATOM 23 NE2 HIS A 2 5.517 -13.296 2.984 1.00 34.34 N ATOM 0 H HIS A 2 7.689 -14.749 7.069 1.00 21.13 H new ATOM 0 HA HIS A 2 9.733 -14.392 4.942 1.00 30.13 H new ATOM 0 HB2 HIS A 2 7.888 -12.237 6.081 1.00 42.13 H new ATOM 0 HB3 HIS A 2 9.094 -12.015 4.829 1.00 42.13 H new ATOM 0 HD2 HIS A 2 5.384 -12.533 5.033 1.00 33.14 H new ATOM 0 HE1 HIS A 2 6.474 -14.025 1.220 1.00 70.42 H new ATOM 0 HE2 HIS A 2 4.537 -13.315 2.700 1.00 34.34 H new ATOM 32 N MET A 3 11.391 -13.406 6.605 1.00 71.21 N ATOM 33 CA MET A 3 12.375 -12.779 7.525 1.00 54.32 C ATOM 34 C MET A 3 12.460 -11.252 7.252 1.00 73.31 C ATOM 35 O MET A 3 11.733 -10.716 6.399 1.00 23.15 O ATOM 36 CB MET A 3 13.778 -13.441 7.361 1.00 71.11 C ATOM 37 CG MET A 3 13.807 -14.956 7.600 1.00 54.23 C ATOM 38 SD MET A 3 15.474 -15.639 7.446 1.00 14.21 S ATOM 39 CE MET A 3 15.190 -17.403 7.603 1.00 74.05 C ATOM 0 H MET A 3 11.796 -13.719 5.723 1.00 71.21 H new ATOM 0 HA MET A 3 12.042 -12.935 8.551 1.00 54.32 H new ATOM 0 HB2 MET A 3 14.144 -13.239 6.354 1.00 71.11 H new ATOM 0 HB3 MET A 3 14.472 -12.965 8.054 1.00 71.11 H new ATOM 0 HG2 MET A 3 13.418 -15.173 8.595 1.00 54.23 H new ATOM 0 HG3 MET A 3 13.147 -15.448 6.885 1.00 54.23 H new ATOM 0 HE1 MET A 3 16.139 -17.933 7.525 1.00 74.05 H new ATOM 0 HE2 MET A 3 14.735 -17.614 8.571 1.00 74.05 H new ATOM 0 HE3 MET A 3 14.522 -17.736 6.808 1.00 74.05 H new ATOM 49 N LYS A 4 13.336 -10.553 7.992 1.00 40.34 N ATOM 50 CA LYS A 4 13.635 -9.133 7.733 1.00 32.34 C ATOM 51 C LYS A 4 14.635 -9.065 6.544 1.00 23.05 C ATOM 52 O LYS A 4 15.858 -9.121 6.728 1.00 64.43 O ATOM 53 CB LYS A 4 14.167 -8.453 9.048 1.00 72.12 C ATOM 54 CG LYS A 4 14.352 -6.902 9.020 1.00 71.00 C ATOM 55 CD LYS A 4 15.674 -6.396 8.363 1.00 62.03 C ATOM 56 CE LYS A 4 16.965 -6.787 9.138 1.00 12.21 C ATOM 57 NZ LYS A 4 17.299 -8.242 9.074 1.00 51.23 N ATOM 0 H LYS A 4 13.852 -10.949 8.778 1.00 40.34 H new ATOM 0 HA LYS A 4 12.743 -8.574 7.450 1.00 32.34 H new ATOM 0 HB2 LYS A 4 13.479 -8.697 9.858 1.00 72.12 H new ATOM 0 HB3 LYS A 4 15.127 -8.904 9.298 1.00 72.12 H new ATOM 0 HG2 LYS A 4 13.510 -6.462 8.486 1.00 71.00 H new ATOM 0 HG3 LYS A 4 14.310 -6.530 10.044 1.00 71.00 H new ATOM 0 HD2 LYS A 4 15.738 -6.794 7.350 1.00 62.03 H new ATOM 0 HD3 LYS A 4 15.631 -5.310 8.277 1.00 62.03 H new ATOM 0 HE2 LYS A 4 17.803 -6.215 8.739 1.00 12.21 H new ATOM 0 HE3 LYS A 4 16.850 -6.497 10.183 1.00 12.21 H new ATOM 0 HZ1 LYS A 4 18.325 -8.357 8.947 1.00 51.23 H new ATOM 0 HZ2 LYS A 4 17.005 -8.705 9.958 1.00 51.23 H new ATOM 0 HZ3 LYS A 4 16.800 -8.678 8.272 1.00 51.23 H new ATOM 71 N ASN A 5 14.082 -9.047 5.317 1.00 60.42 N ATOM 72 CA ASN A 5 14.862 -8.947 4.066 1.00 11.23 C ATOM 73 C ASN A 5 14.168 -7.970 3.083 1.00 75.23 C ATOM 74 O ASN A 5 13.181 -8.311 2.429 1.00 12.25 O ATOM 75 CB ASN A 5 15.097 -10.360 3.429 1.00 65.21 C ATOM 76 CG ASN A 5 13.834 -11.226 3.292 1.00 43.14 C ATOM 77 OD1 ASN A 5 13.488 -11.992 4.182 1.00 52.31 O ATOM 78 ND2 ASN A 5 13.138 -11.122 2.174 1.00 61.40 N ATOM 0 H ASN A 5 13.075 -9.102 5.163 1.00 60.42 H new ATOM 0 HA ASN A 5 15.847 -8.543 4.297 1.00 11.23 H new ATOM 0 HB2 ASN A 5 15.539 -10.228 2.441 1.00 65.21 H new ATOM 0 HB3 ASN A 5 15.826 -10.899 4.035 1.00 65.21 H new ATOM 0 HD21 ASN A 5 12.298 -11.685 2.042 1.00 61.40 H new ATOM 0 HD22 ASN A 5 13.441 -10.479 1.443 1.00 61.40 H new ATOM 85 N VAL A 6 14.666 -6.723 3.035 1.00 51.31 N ATOM 86 CA VAL A 6 14.161 -5.694 2.103 1.00 1.53 C ATOM 87 C VAL A 6 15.009 -5.678 0.802 1.00 75.14 C ATOM 88 O VAL A 6 16.170 -5.266 0.797 1.00 62.12 O ATOM 89 CB VAL A 6 14.088 -4.261 2.788 1.00 32.34 C ATOM 90 CG1 VAL A 6 12.992 -4.235 3.887 1.00 40.12 C ATOM 91 CG2 VAL A 6 15.456 -3.816 3.374 1.00 1.51 C ATOM 0 H VAL A 6 15.424 -6.399 3.635 1.00 51.31 H new ATOM 0 HA VAL A 6 13.138 -5.955 1.831 1.00 1.53 H new ATOM 0 HB VAL A 6 13.825 -3.547 2.007 1.00 32.34 H new ATOM 0 HG11 VAL A 6 12.958 -3.246 4.344 1.00 40.12 H new ATOM 0 HG12 VAL A 6 12.024 -4.462 3.441 1.00 40.12 H new ATOM 0 HG13 VAL A 6 13.224 -4.979 4.649 1.00 40.12 H new ATOM 0 HG21 VAL A 6 15.353 -2.832 3.830 1.00 1.51 H new ATOM 0 HG22 VAL A 6 15.780 -4.534 4.128 1.00 1.51 H new ATOM 0 HG23 VAL A 6 16.196 -3.770 2.575 1.00 1.51 H new ATOM 101 N ILE A 7 14.424 -6.202 -0.299 1.00 5.35 N ATOM 102 CA ILE A 7 15.065 -6.184 -1.642 1.00 21.44 C ATOM 103 C ILE A 7 14.661 -4.870 -2.396 1.00 32.54 C ATOM 104 O ILE A 7 15.044 -4.640 -3.534 1.00 1.31 O ATOM 105 CB ILE A 7 14.720 -7.497 -2.498 1.00 3.43 C ATOM 106 CG1 ILE A 7 14.880 -8.824 -1.655 1.00 30.21 C ATOM 107 CG2 ILE A 7 15.587 -7.592 -3.789 1.00 43.02 C ATOM 108 CD1 ILE A 7 13.701 -9.183 -0.754 1.00 61.22 C ATOM 0 H ILE A 7 13.505 -6.645 -0.287 1.00 5.35 H new ATOM 0 HA ILE A 7 16.147 -6.193 -1.508 1.00 21.44 H new ATOM 0 HB ILE A 7 13.673 -7.398 -2.784 1.00 3.43 H new ATOM 0 HG12 ILE A 7 15.052 -9.651 -2.344 1.00 30.21 H new ATOM 0 HG13 ILE A 7 15.772 -8.734 -1.036 1.00 30.21 H new ATOM 0 HG21 ILE A 7 15.322 -8.495 -4.339 1.00 43.02 H new ATOM 0 HG22 ILE A 7 15.404 -6.719 -4.415 1.00 43.02 H new ATOM 0 HG23 ILE A 7 16.642 -7.629 -3.517 1.00 43.02 H new ATOM 0 HD11 ILE A 7 13.918 -10.110 -0.223 1.00 61.22 H new ATOM 0 HD12 ILE A 7 13.537 -8.382 -0.033 1.00 61.22 H new ATOM 0 HD13 ILE A 7 12.805 -9.314 -1.361 1.00 61.22 H new ATOM 120 N LYS A 8 13.896 -3.996 -1.710 1.00 12.31 N ATOM 121 CA LYS A 8 13.555 -2.637 -2.188 1.00 42.11 C ATOM 122 C LYS A 8 14.834 -1.750 -2.263 1.00 3.15 C ATOM 123 O LYS A 8 15.245 -1.136 -1.267 1.00 24.31 O ATOM 124 CB LYS A 8 12.497 -2.020 -1.225 1.00 1.31 C ATOM 125 CG LYS A 8 11.954 -0.625 -1.618 1.00 75.23 C ATOM 126 CD LYS A 8 10.997 -0.030 -0.543 1.00 62.04 C ATOM 127 CE LYS A 8 11.695 0.188 0.819 1.00 43.33 C ATOM 128 NZ LYS A 8 10.795 0.782 1.841 1.00 13.34 N ATOM 0 H LYS A 8 13.493 -4.215 -0.799 1.00 12.31 H new ATOM 0 HA LYS A 8 13.136 -2.690 -3.193 1.00 42.11 H new ATOM 0 HB2 LYS A 8 11.655 -2.709 -1.153 1.00 1.31 H new ATOM 0 HB3 LYS A 8 12.937 -1.950 -0.230 1.00 1.31 H new ATOM 0 HG2 LYS A 8 12.791 0.056 -1.771 1.00 75.23 H new ATOM 0 HG3 LYS A 8 11.425 -0.700 -2.568 1.00 75.23 H new ATOM 0 HD2 LYS A 8 10.601 0.921 -0.900 1.00 62.04 H new ATOM 0 HD3 LYS A 8 10.147 -0.699 -0.409 1.00 62.04 H new ATOM 0 HE2 LYS A 8 12.072 -0.767 1.185 1.00 43.33 H new ATOM 0 HE3 LYS A 8 12.558 0.839 0.679 1.00 43.33 H new ATOM 0 HZ1 LYS A 8 11.249 1.619 2.259 1.00 13.34 H new ATOM 0 HZ2 LYS A 8 9.898 1.061 1.394 1.00 13.34 H new ATOM 0 HZ3 LYS A 8 10.607 0.082 2.587 1.00 13.34 H new ATOM 142 N LYS A 9 15.485 -1.741 -3.447 1.00 31.31 N ATOM 143 CA LYS A 9 16.740 -0.985 -3.690 1.00 34.02 C ATOM 144 C LYS A 9 16.610 -0.091 -4.949 1.00 61.24 C ATOM 145 O LYS A 9 16.565 1.145 -4.856 1.00 31.14 O ATOM 146 CB LYS A 9 17.942 -1.970 -3.852 1.00 53.11 C ATOM 147 CG LYS A 9 19.314 -1.275 -4.058 1.00 32.35 C ATOM 148 CD LYS A 9 20.499 -2.243 -4.362 1.00 43.24 C ATOM 149 CE LYS A 9 20.920 -3.150 -3.177 1.00 2.00 C ATOM 150 NZ LYS A 9 19.987 -4.282 -2.951 1.00 54.24 N ATOM 0 H LYS A 9 15.157 -2.257 -4.264 1.00 31.31 H new ATOM 0 HA LYS A 9 16.923 -0.342 -2.829 1.00 34.02 H new ATOM 0 HB2 LYS A 9 17.998 -2.604 -2.967 1.00 53.11 H new ATOM 0 HB3 LYS A 9 17.748 -2.625 -4.702 1.00 53.11 H new ATOM 0 HG2 LYS A 9 19.225 -0.563 -4.879 1.00 32.35 H new ATOM 0 HG3 LYS A 9 19.553 -0.701 -3.163 1.00 32.35 H new ATOM 0 HD2 LYS A 9 20.225 -2.876 -5.206 1.00 43.24 H new ATOM 0 HD3 LYS A 9 21.361 -1.653 -4.673 1.00 43.24 H new ATOM 0 HE2 LYS A 9 21.919 -3.542 -3.365 1.00 2.00 H new ATOM 0 HE3 LYS A 9 20.979 -2.549 -2.270 1.00 2.00 H new ATOM 0 HZ1 LYS A 9 19.512 -4.163 -2.033 1.00 54.24 H new ATOM 0 HZ2 LYS A 9 19.275 -4.302 -3.709 1.00 54.24 H new ATOM 0 HZ3 LYS A 9 20.519 -5.176 -2.952 1.00 54.24 H new ATOM 164 N LYS A 10 16.541 -0.740 -6.128 1.00 74.13 N ATOM 165 CA LYS A 10 16.552 -0.053 -7.435 1.00 45.01 C ATOM 166 C LYS A 10 15.120 0.324 -7.871 1.00 10.43 C ATOM 167 O LYS A 10 14.377 -0.514 -8.392 1.00 22.14 O ATOM 168 CB LYS A 10 17.237 -0.964 -8.488 1.00 2.21 C ATOM 169 CG LYS A 10 18.691 -1.365 -8.125 1.00 51.34 C ATOM 170 CD LYS A 10 19.294 -2.385 -9.120 1.00 33.13 C ATOM 171 CE LYS A 10 20.730 -2.805 -8.754 1.00 64.24 C ATOM 172 NZ LYS A 10 21.686 -1.667 -8.782 1.00 51.44 N ATOM 0 H LYS A 10 16.476 -1.755 -6.201 1.00 74.13 H new ATOM 0 HA LYS A 10 17.118 0.874 -7.348 1.00 45.01 H new ATOM 0 HB2 LYS A 10 16.642 -1.869 -8.613 1.00 2.21 H new ATOM 0 HB3 LYS A 10 17.242 -0.451 -9.449 1.00 2.21 H new ATOM 0 HG2 LYS A 10 19.315 -0.472 -8.103 1.00 51.34 H new ATOM 0 HG3 LYS A 10 18.707 -1.790 -7.121 1.00 51.34 H new ATOM 0 HD2 LYS A 10 18.659 -3.271 -9.153 1.00 33.13 H new ATOM 0 HD3 LYS A 10 19.291 -1.953 -10.121 1.00 33.13 H new ATOM 0 HE2 LYS A 10 20.731 -3.251 -7.759 1.00 64.24 H new ATOM 0 HE3 LYS A 10 21.067 -3.574 -9.449 1.00 64.24 H new ATOM 0 HZ1 LYS A 10 22.647 -2.017 -8.595 1.00 51.44 H new ATOM 0 HZ2 LYS A 10 21.658 -1.213 -9.717 1.00 51.44 H new ATOM 0 HZ3 LYS A 10 21.422 -0.974 -8.053 1.00 51.44 H new ATOM 186 N GLY A 11 14.738 1.580 -7.596 1.00 12.21 N ATOM 187 CA GLY A 11 13.412 2.098 -7.942 1.00 43.15 C ATOM 188 C GLY A 11 13.151 3.475 -7.329 1.00 72.41 C ATOM 189 O GLY A 11 12.943 3.586 -6.117 1.00 42.01 O ATOM 0 H GLY A 11 15.338 2.260 -7.130 1.00 12.21 H new ATOM 0 HA2 GLY A 11 13.320 2.162 -9.026 1.00 43.15 H new ATOM 0 HA3 GLY A 11 12.650 1.399 -7.598 1.00 43.15 H new ATOM 193 N GLU A 12 13.171 4.528 -8.170 1.00 33.43 N ATOM 194 CA GLU A 12 12.967 5.928 -7.728 1.00 31.31 C ATOM 195 C GLU A 12 11.463 6.245 -7.502 1.00 13.52 C ATOM 196 O GLU A 12 10.590 5.745 -8.222 1.00 1.22 O ATOM 197 CB GLU A 12 13.585 6.922 -8.755 1.00 73.44 C ATOM 198 CG GLU A 12 12.996 6.833 -10.178 1.00 11.24 C ATOM 199 CD GLU A 12 13.596 7.867 -11.136 1.00 73.12 C ATOM 200 OE1 GLU A 12 14.708 7.635 -11.664 1.00 22.14 O ATOM 201 OE2 GLU A 12 12.981 8.927 -11.350 1.00 54.35 O ATOM 0 H GLU A 12 13.328 4.436 -9.174 1.00 33.43 H new ATOM 0 HA GLU A 12 13.477 6.048 -6.772 1.00 31.31 H new ATOM 0 HB2 GLU A 12 13.448 7.938 -8.384 1.00 73.44 H new ATOM 0 HB3 GLU A 12 14.659 6.744 -8.810 1.00 73.44 H new ATOM 0 HG2 GLU A 12 13.169 5.833 -10.576 1.00 11.24 H new ATOM 0 HG3 GLU A 12 11.916 6.974 -10.129 1.00 11.24 H new ATOM 208 N ILE A 13 11.178 7.069 -6.479 1.00 42.53 N ATOM 209 CA ILE A 13 9.808 7.497 -6.109 1.00 34.43 C ATOM 210 C ILE A 13 9.752 9.034 -5.898 1.00 13.13 C ATOM 211 O ILE A 13 10.534 9.600 -5.126 1.00 55.33 O ATOM 212 CB ILE A 13 9.299 6.744 -4.807 1.00 50.30 C ATOM 213 CG1 ILE A 13 10.374 6.825 -3.664 1.00 23.34 C ATOM 214 CG2 ILE A 13 8.912 5.269 -5.121 1.00 65.33 C ATOM 215 CD1 ILE A 13 9.991 6.136 -2.371 1.00 51.15 C ATOM 0 H ILE A 13 11.899 7.464 -5.875 1.00 42.53 H new ATOM 0 HA ILE A 13 9.146 7.232 -6.933 1.00 34.43 H new ATOM 0 HB ILE A 13 8.398 7.247 -4.456 1.00 50.30 H new ATOM 0 HG12 ILE A 13 11.303 6.388 -4.029 1.00 23.34 H new ATOM 0 HG13 ILE A 13 10.577 7.875 -3.452 1.00 23.34 H new ATOM 0 HG21 ILE A 13 8.568 4.781 -4.209 1.00 65.33 H new ATOM 0 HG22 ILE A 13 8.115 5.252 -5.865 1.00 65.33 H new ATOM 0 HG23 ILE A 13 9.782 4.739 -5.510 1.00 65.33 H new ATOM 0 HD11 ILE A 13 10.797 6.248 -1.646 1.00 51.15 H new ATOM 0 HD12 ILE A 13 9.081 6.587 -1.974 1.00 51.15 H new ATOM 0 HD13 ILE A 13 9.818 5.077 -2.561 1.00 51.15 H new ATOM 227 N ILE A 14 8.831 9.699 -6.612 1.00 42.41 N ATOM 228 CA ILE A 14 8.615 11.161 -6.504 1.00 64.22 C ATOM 229 C ILE A 14 7.733 11.487 -5.273 1.00 63.02 C ATOM 230 O ILE A 14 7.994 12.437 -4.524 1.00 0.44 O ATOM 231 CB ILE A 14 7.945 11.729 -7.816 1.00 2.45 C ATOM 232 CG1 ILE A 14 8.765 11.317 -9.090 1.00 22.22 C ATOM 233 CG2 ILE A 14 7.752 13.274 -7.747 1.00 50.32 C ATOM 234 CD1 ILE A 14 10.200 11.826 -9.126 1.00 3.10 C ATOM 0 H ILE A 14 8.212 9.244 -7.282 1.00 42.41 H new ATOM 0 HA ILE A 14 9.587 11.638 -6.379 1.00 64.22 H new ATOM 0 HB ILE A 14 6.953 11.284 -7.893 1.00 2.45 H new ATOM 0 HG12 ILE A 14 8.780 10.229 -9.158 1.00 22.22 H new ATOM 0 HG13 ILE A 14 8.243 11.684 -9.974 1.00 22.22 H new ATOM 0 HG21 ILE A 14 7.288 13.624 -8.669 1.00 50.32 H new ATOM 0 HG22 ILE A 14 7.111 13.523 -6.901 1.00 50.32 H new ATOM 0 HG23 ILE A 14 8.721 13.757 -7.622 1.00 50.32 H new ATOM 0 HD11 ILE A 14 10.683 11.489 -10.044 1.00 3.10 H new ATOM 0 HD12 ILE A 14 10.200 12.916 -9.094 1.00 3.10 H new ATOM 0 HD13 ILE A 14 10.745 11.438 -8.266 1.00 3.10 H new ATOM 246 N ILE A 15 6.702 10.658 -5.088 1.00 52.33 N ATOM 247 CA ILE A 15 5.741 10.763 -3.962 1.00 11.31 C ATOM 248 C ILE A 15 6.413 10.306 -2.642 1.00 23.40 C ATOM 249 O ILE A 15 7.235 9.379 -2.651 1.00 61.24 O ATOM 250 CB ILE A 15 4.465 9.876 -4.232 1.00 51.12 C ATOM 251 CG1 ILE A 15 3.882 10.143 -5.662 1.00 25.53 C ATOM 252 CG2 ILE A 15 3.375 10.091 -3.138 1.00 13.33 C ATOM 253 CD1 ILE A 15 2.831 9.142 -6.112 1.00 55.23 C ATOM 0 H ILE A 15 6.500 9.882 -5.718 1.00 52.33 H new ATOM 0 HA ILE A 15 5.435 11.806 -3.874 1.00 11.31 H new ATOM 0 HB ILE A 15 4.779 8.833 -4.185 1.00 51.12 H new ATOM 0 HG12 ILE A 15 3.446 11.142 -5.682 1.00 25.53 H new ATOM 0 HG13 ILE A 15 4.701 10.138 -6.381 1.00 25.53 H new ATOM 0 HG21 ILE A 15 2.511 9.464 -3.357 1.00 13.33 H new ATOM 0 HG22 ILE A 15 3.781 9.822 -2.163 1.00 13.33 H new ATOM 0 HG23 ILE A 15 3.071 11.138 -3.128 1.00 13.33 H new ATOM 0 HD11 ILE A 15 2.484 9.404 -7.111 1.00 55.23 H new ATOM 0 HD12 ILE A 15 3.265 8.142 -6.129 1.00 55.23 H new ATOM 0 HD13 ILE A 15 1.990 9.161 -5.419 1.00 55.23 H new ATOM 265 N LEU A 16 6.055 10.959 -1.521 1.00 54.33 N ATOM 266 CA LEU A 16 6.606 10.653 -0.185 1.00 75.54 C ATOM 267 C LEU A 16 6.157 9.239 0.293 1.00 15.11 C ATOM 268 O LEU A 16 5.096 9.083 0.898 1.00 74.12 O ATOM 269 CB LEU A 16 6.196 11.758 0.849 1.00 61.40 C ATOM 270 CG LEU A 16 6.879 13.171 0.705 1.00 50.40 C ATOM 271 CD1 LEU A 16 6.540 13.870 -0.636 1.00 3.11 C ATOM 272 CD2 LEU A 16 6.522 14.082 1.904 1.00 43.20 C ATOM 0 H LEU A 16 5.373 11.717 -1.515 1.00 54.33 H new ATOM 0 HA LEU A 16 7.694 10.647 -0.258 1.00 75.54 H new ATOM 0 HB2 LEU A 16 5.117 11.897 0.784 1.00 61.40 H new ATOM 0 HB3 LEU A 16 6.410 11.380 1.849 1.00 61.40 H new ATOM 0 HG LEU A 16 7.955 12.997 0.704 1.00 50.40 H new ATOM 0 HD11 LEU A 16 7.038 14.838 -0.678 1.00 3.11 H new ATOM 0 HD12 LEU A 16 6.881 13.250 -1.466 1.00 3.11 H new ATOM 0 HD13 LEU A 16 5.462 14.013 -0.709 1.00 3.11 H new ATOM 0 HD21 LEU A 16 7.005 15.051 1.781 1.00 43.20 H new ATOM 0 HD22 LEU A 16 5.441 14.218 1.948 1.00 43.20 H new ATOM 0 HD23 LEU A 16 6.867 13.619 2.828 1.00 43.20 H new ATOM 284 N TRP A 17 6.957 8.218 -0.055 1.00 70.50 N ATOM 285 CA TRP A 17 6.732 6.816 0.354 1.00 1.31 C ATOM 286 C TRP A 17 7.918 6.322 1.201 1.00 23.01 C ATOM 287 O TRP A 17 9.020 6.129 0.682 1.00 54.42 O ATOM 288 CB TRP A 17 6.554 5.901 -0.895 1.00 11.25 C ATOM 289 CG TRP A 17 5.237 6.075 -1.614 1.00 74.41 C ATOM 290 CD1 TRP A 17 5.019 6.553 -2.877 1.00 53.21 C ATOM 291 CD2 TRP A 17 3.951 5.743 -1.088 1.00 51.54 C ATOM 292 NE1 TRP A 17 3.671 6.540 -3.156 1.00 53.53 N ATOM 293 CE2 TRP A 17 3.000 6.047 -2.069 1.00 12.20 C ATOM 294 CE3 TRP A 17 3.523 5.226 0.126 1.00 71.30 C ATOM 295 CZ2 TRP A 17 1.643 5.833 -1.868 1.00 21.44 C ATOM 296 CZ3 TRP A 17 2.185 5.014 0.329 1.00 3.55 C ATOM 297 CH2 TRP A 17 1.252 5.322 -0.661 1.00 14.24 C ATOM 0 H TRP A 17 7.788 8.341 -0.634 1.00 70.50 H new ATOM 0 HA TRP A 17 5.820 6.770 0.949 1.00 1.31 H new ATOM 0 HB2 TRP A 17 7.365 6.101 -1.595 1.00 11.25 H new ATOM 0 HB3 TRP A 17 6.650 4.861 -0.585 1.00 11.25 H new ATOM 0 HD1 TRP A 17 5.790 6.890 -3.554 1.00 53.21 H new ATOM 0 HE1 TRP A 17 3.242 6.847 -4.029 1.00 53.53 H new ATOM 0 HE3 TRP A 17 4.237 4.993 0.902 1.00 71.30 H new ATOM 0 HZ2 TRP A 17 0.921 6.062 -2.638 1.00 21.44 H new ATOM 0 HZ3 TRP A 17 1.848 4.603 1.269 1.00 3.55 H new ATOM 0 HH2 TRP A 17 0.202 5.154 -0.471 1.00 14.24 H new ATOM 308 N THR A 18 7.701 6.133 2.511 1.00 11.15 N ATOM 309 CA THR A 18 8.775 5.674 3.437 1.00 54.14 C ATOM 310 C THR A 18 8.529 4.229 3.876 1.00 70.01 C ATOM 311 O THR A 18 7.434 3.690 3.678 1.00 74.41 O ATOM 312 CB THR A 18 8.896 6.577 4.717 1.00 35.41 C ATOM 313 OG1 THR A 18 7.800 6.335 5.618 1.00 43.11 O ATOM 314 CG2 THR A 18 8.944 8.069 4.355 1.00 74.32 C ATOM 0 H THR A 18 6.799 6.287 2.962 1.00 11.15 H new ATOM 0 HA THR A 18 9.709 5.746 2.879 1.00 54.14 H new ATOM 0 HB THR A 18 9.832 6.312 5.209 1.00 35.41 H new ATOM 0 HG1 THR A 18 6.952 6.466 5.144 1.00 43.11 H new ATOM 0 HG21 THR A 18 9.028 8.662 5.266 1.00 74.32 H new ATOM 0 HG22 THR A 18 9.806 8.261 3.717 1.00 74.32 H new ATOM 0 HG23 THR A 18 8.032 8.344 3.825 1.00 74.32 H new ATOM 322 N ARG A 19 9.556 3.631 4.512 1.00 61.11 N ATOM 323 CA ARG A 19 9.503 2.264 5.091 1.00 20.34 C ATOM 324 C ARG A 19 8.316 2.069 6.073 1.00 22.04 C ATOM 325 O ARG A 19 7.910 0.943 6.333 1.00 12.43 O ATOM 326 CB ARG A 19 10.839 1.964 5.823 1.00 4.50 C ATOM 327 CG ARG A 19 11.173 2.969 6.954 1.00 62.12 C ATOM 328 CD ARG A 19 12.492 2.653 7.678 1.00 1.12 C ATOM 329 NE ARG A 19 12.795 3.657 8.717 1.00 51.41 N ATOM 330 CZ ARG A 19 13.679 4.632 8.611 1.00 64.02 C ATOM 331 NH1 ARG A 19 14.402 4.778 7.544 1.00 65.33 N ATOM 332 NH2 ARG A 19 13.823 5.459 9.584 1.00 53.23 N ATOM 0 H ARG A 19 10.460 4.086 4.642 1.00 61.11 H new ATOM 0 HA ARG A 19 9.351 1.569 4.265 1.00 20.34 H new ATOM 0 HB2 ARG A 19 10.794 0.960 6.244 1.00 4.50 H new ATOM 0 HB3 ARG A 19 11.650 1.968 5.095 1.00 4.50 H new ATOM 0 HG2 ARG A 19 11.229 3.973 6.534 1.00 62.12 H new ATOM 0 HG3 ARG A 19 10.360 2.972 7.680 1.00 62.12 H new ATOM 0 HD2 ARG A 19 12.430 1.665 8.133 1.00 1.12 H new ATOM 0 HD3 ARG A 19 13.306 2.620 6.954 1.00 1.12 H new ATOM 0 HE ARG A 19 12.276 3.592 9.593 1.00 51.41 H new ATOM 0 HH11 ARG A 19 14.294 4.131 6.763 1.00 65.33 H new ATOM 0 HH12 ARG A 19 15.078 5.539 7.486 1.00 65.33 H new ATOM 0 HH21 ARG A 19 13.258 5.358 10.427 1.00 53.23 H new ATOM 0 HH22 ARG A 19 14.503 6.216 9.513 1.00 53.23 H new ATOM 346 N ASN A 20 7.793 3.182 6.621 1.00 31.54 N ATOM 347 CA ASN A 20 6.603 3.175 7.491 1.00 14.14 C ATOM 348 C ASN A 20 5.326 2.945 6.652 1.00 43.44 C ATOM 349 O ASN A 20 4.509 2.080 6.977 1.00 74.20 O ATOM 350 CB ASN A 20 6.490 4.512 8.263 1.00 22.13 C ATOM 351 CG ASN A 20 7.765 4.867 9.023 1.00 43.50 C ATOM 352 OD1 ASN A 20 7.953 4.481 10.171 1.00 60.05 O ATOM 353 ND2 ASN A 20 8.659 5.604 8.387 1.00 41.34 N ATOM 0 H ASN A 20 8.185 4.112 6.472 1.00 31.54 H new ATOM 0 HA ASN A 20 6.707 2.361 8.209 1.00 14.14 H new ATOM 0 HB2 ASN A 20 6.256 5.313 7.561 1.00 22.13 H new ATOM 0 HB3 ASN A 20 5.659 4.451 8.966 1.00 22.13 H new ATOM 0 HD21 ASN A 20 9.529 5.864 8.851 1.00 41.34 H new ATOM 0 HD22 ASN A 20 8.479 5.913 7.432 1.00 41.34 H new ATOM 360 N ASP A 21 5.183 3.731 5.561 1.00 63.44 N ATOM 361 CA ASP A 21 4.013 3.678 4.651 1.00 71.02 C ATOM 362 C ASP A 21 3.853 2.281 4.002 1.00 62.51 C ATOM 363 O ASP A 21 2.826 1.608 4.181 1.00 3.10 O ATOM 364 CB ASP A 21 4.146 4.744 3.529 1.00 31.04 C ATOM 365 CG ASP A 21 4.118 6.195 4.027 1.00 42.34 C ATOM 366 OD1 ASP A 21 5.156 6.681 4.524 1.00 51.33 O ATOM 367 OD2 ASP A 21 3.059 6.858 3.923 1.00 61.02 O ATOM 0 H ASP A 21 5.879 4.424 5.285 1.00 63.44 H new ATOM 0 HA ASP A 21 3.130 3.884 5.256 1.00 71.02 H new ATOM 0 HB2 ASP A 21 5.080 4.575 2.993 1.00 31.04 H new ATOM 0 HB3 ASP A 21 3.337 4.603 2.813 1.00 31.04 H new ATOM 372 N ASP A 22 4.901 1.858 3.277 1.00 41.41 N ATOM 373 CA ASP A 22 4.878 0.633 2.454 1.00 43.33 C ATOM 374 C ASP A 22 4.750 -0.672 3.296 1.00 72.23 C ATOM 375 O ASP A 22 4.152 -1.659 2.838 1.00 70.14 O ATOM 376 CB ASP A 22 6.097 0.611 1.493 1.00 11.44 C ATOM 377 CG ASP A 22 7.479 0.808 2.144 1.00 40.15 C ATOM 378 OD1 ASP A 22 7.889 -0.010 2.993 1.00 45.34 O ATOM 379 OD2 ASP A 22 8.189 1.758 1.757 1.00 74.42 O ATOM 0 H ASP A 22 5.791 2.355 3.243 1.00 41.41 H new ATOM 0 HA ASP A 22 3.971 0.660 1.850 1.00 43.33 H new ATOM 0 HB2 ASP A 22 6.100 -0.342 0.965 1.00 11.44 H new ATOM 0 HB3 ASP A 22 5.957 1.390 0.744 1.00 11.44 H new ATOM 384 N ARG A 23 5.312 -0.654 4.518 1.00 34.33 N ATOM 385 CA ARG A 23 5.167 -1.760 5.506 1.00 51.43 C ATOM 386 C ARG A 23 3.677 -2.000 5.884 1.00 2.10 C ATOM 387 O ARG A 23 3.215 -3.147 5.942 1.00 54.05 O ATOM 388 CB ARG A 23 6.006 -1.429 6.770 1.00 5.40 C ATOM 389 CG ARG A 23 5.982 -2.482 7.906 1.00 43.11 C ATOM 390 CD ARG A 23 6.919 -2.095 9.073 1.00 62.41 C ATOM 391 NE ARG A 23 6.860 -3.057 10.194 1.00 4.51 N ATOM 392 CZ ARG A 23 7.887 -3.451 10.923 1.00 1.21 C ATOM 393 NH1 ARG A 23 9.105 -3.106 10.636 1.00 73.31 N ATOM 394 NH2 ARG A 23 7.682 -4.225 11.932 1.00 42.41 N ATOM 0 H ARG A 23 5.880 0.122 4.857 1.00 34.33 H new ATOM 0 HA ARG A 23 5.535 -2.681 5.053 1.00 51.43 H new ATOM 0 HB2 ARG A 23 7.041 -1.280 6.464 1.00 5.40 H new ATOM 0 HB3 ARG A 23 5.654 -0.480 7.175 1.00 5.40 H new ATOM 0 HG2 ARG A 23 4.964 -2.590 8.279 1.00 43.11 H new ATOM 0 HG3 ARG A 23 6.280 -3.452 7.508 1.00 43.11 H new ATOM 0 HD2 ARG A 23 7.943 -2.033 8.706 1.00 62.41 H new ATOM 0 HD3 ARG A 23 6.650 -1.103 9.436 1.00 62.41 H new ATOM 0 HE ARG A 23 5.947 -3.450 10.424 1.00 4.51 H new ATOM 0 HH11 ARG A 23 9.290 -2.513 9.827 1.00 73.31 H new ATOM 0 HH12 ARG A 23 9.877 -3.427 11.220 1.00 73.31 H new ATOM 0 HH21 ARG A 23 6.734 -4.526 12.159 1.00 42.41 H new ATOM 0 HH22 ARG A 23 8.467 -4.537 12.503 1.00 42.41 H new ATOM 408 N VAL A 24 2.935 -0.893 6.123 1.00 31.24 N ATOM 409 CA VAL A 24 1.484 -0.939 6.451 1.00 34.25 C ATOM 410 C VAL A 24 0.652 -1.450 5.245 1.00 11.23 C ATOM 411 O VAL A 24 -0.314 -2.207 5.428 1.00 20.42 O ATOM 412 CB VAL A 24 0.952 0.472 6.924 1.00 44.44 C ATOM 413 CG1 VAL A 24 -0.563 0.440 7.247 1.00 42.02 C ATOM 414 CG2 VAL A 24 1.758 0.983 8.144 1.00 43.04 C ATOM 0 H VAL A 24 3.318 0.052 6.095 1.00 31.24 H new ATOM 0 HA VAL A 24 1.363 -1.641 7.276 1.00 34.25 H new ATOM 0 HB VAL A 24 1.096 1.166 6.096 1.00 44.44 H new ATOM 0 HG11 VAL A 24 -0.888 1.430 7.568 1.00 42.02 H new ATOM 0 HG12 VAL A 24 -1.119 0.147 6.356 1.00 42.02 H new ATOM 0 HG13 VAL A 24 -0.750 -0.280 8.044 1.00 42.02 H new ATOM 0 HG21 VAL A 24 1.374 1.956 8.452 1.00 43.04 H new ATOM 0 HG22 VAL A 24 1.659 0.276 8.968 1.00 43.04 H new ATOM 0 HG23 VAL A 24 2.809 1.077 7.872 1.00 43.04 H new ATOM 424 N ILE A 25 1.054 -1.046 4.016 1.00 23.23 N ATOM 425 CA ILE A 25 0.407 -1.516 2.764 1.00 22.23 C ATOM 426 C ILE A 25 0.466 -3.056 2.650 1.00 53.13 C ATOM 427 O ILE A 25 -0.574 -3.706 2.546 1.00 33.23 O ATOM 428 CB ILE A 25 1.048 -0.856 1.479 1.00 71.25 C ATOM 429 CG1 ILE A 25 0.854 0.689 1.510 1.00 62.35 C ATOM 430 CG2 ILE A 25 0.462 -1.455 0.168 1.00 2.42 C ATOM 431 CD1 ILE A 25 1.491 1.436 0.352 1.00 14.23 C ATOM 0 H ILE A 25 1.824 -0.395 3.863 1.00 23.23 H new ATOM 0 HA ILE A 25 -0.636 -1.204 2.816 1.00 22.23 H new ATOM 0 HB ILE A 25 2.115 -1.079 1.490 1.00 71.25 H new ATOM 0 HG12 ILE A 25 -0.214 0.906 1.520 1.00 62.35 H new ATOM 0 HG13 ILE A 25 1.267 1.074 2.443 1.00 62.35 H new ATOM 0 HG21 ILE A 25 0.929 -0.975 -0.692 1.00 2.42 H new ATOM 0 HG22 ILE A 25 0.660 -2.526 0.137 1.00 2.42 H new ATOM 0 HG23 ILE A 25 -0.614 -1.284 0.139 1.00 2.42 H new ATOM 0 HD11 ILE A 25 1.303 2.504 0.460 1.00 14.23 H new ATOM 0 HD12 ILE A 25 2.566 1.255 0.350 1.00 14.23 H new ATOM 0 HD13 ILE A 25 1.062 1.085 -0.587 1.00 14.23 H new ATOM 443 N LEU A 26 1.688 -3.621 2.713 1.00 54.23 N ATOM 444 CA LEU A 26 1.903 -5.087 2.637 1.00 55.31 C ATOM 445 C LEU A 26 1.142 -5.851 3.747 1.00 15.04 C ATOM 446 O LEU A 26 0.603 -6.929 3.498 1.00 22.10 O ATOM 447 CB LEU A 26 3.420 -5.419 2.693 1.00 25.32 C ATOM 448 CG LEU A 26 4.256 -4.976 1.453 1.00 40.41 C ATOM 449 CD1 LEU A 26 5.752 -5.337 1.618 1.00 0.41 C ATOM 450 CD2 LEU A 26 3.663 -5.559 0.141 1.00 10.52 C ATOM 0 H LEU A 26 2.549 -3.084 2.817 1.00 54.23 H new ATOM 0 HA LEU A 26 1.499 -5.421 1.681 1.00 55.31 H new ATOM 0 HB2 LEU A 26 3.843 -4.949 3.580 1.00 25.32 H new ATOM 0 HB3 LEU A 26 3.533 -6.496 2.818 1.00 25.32 H new ATOM 0 HG LEU A 26 4.197 -3.890 1.384 1.00 40.41 H new ATOM 0 HD11 LEU A 26 6.304 -5.014 0.735 1.00 0.41 H new ATOM 0 HD12 LEU A 26 6.152 -4.836 2.500 1.00 0.41 H new ATOM 0 HD13 LEU A 26 5.855 -6.416 1.735 1.00 0.41 H new ATOM 0 HD21 LEU A 26 4.266 -5.234 -0.707 1.00 10.52 H new ATOM 0 HD22 LEU A 26 3.667 -6.648 0.192 1.00 10.52 H new ATOM 0 HD23 LEU A 26 2.640 -5.205 0.015 1.00 10.52 H new ATOM 462 N LEU A 27 1.085 -5.253 4.951 1.00 71.11 N ATOM 463 CA LEU A 27 0.422 -5.853 6.135 1.00 42.31 C ATOM 464 C LEU A 27 -1.109 -6.039 5.928 1.00 43.11 C ATOM 465 O LEU A 27 -1.649 -7.128 6.150 1.00 71.30 O ATOM 466 CB LEU A 27 0.698 -4.981 7.391 1.00 34.42 C ATOM 467 CG LEU A 27 0.149 -5.524 8.752 1.00 21.22 C ATOM 468 CD1 LEU A 27 0.732 -6.922 9.084 1.00 74.34 C ATOM 469 CD2 LEU A 27 0.414 -4.514 9.895 1.00 15.21 C ATOM 0 H LEU A 27 1.497 -4.338 5.136 1.00 71.11 H new ATOM 0 HA LEU A 27 0.844 -6.847 6.279 1.00 42.31 H new ATOM 0 HB2 LEU A 27 1.776 -4.851 7.486 1.00 34.42 H new ATOM 0 HB3 LEU A 27 0.271 -3.993 7.221 1.00 34.42 H new ATOM 0 HG LEU A 27 -0.930 -5.642 8.653 1.00 21.22 H new ATOM 0 HD11 LEU A 27 0.329 -7.268 10.036 1.00 74.34 H new ATOM 0 HD12 LEU A 27 0.460 -7.626 8.298 1.00 74.34 H new ATOM 0 HD13 LEU A 27 1.818 -6.857 9.152 1.00 74.34 H new ATOM 0 HD21 LEU A 27 0.024 -4.913 10.831 1.00 15.21 H new ATOM 0 HD22 LEU A 27 1.487 -4.347 9.991 1.00 15.21 H new ATOM 0 HD23 LEU A 27 -0.082 -3.570 9.669 1.00 15.21 H new ATOM 481 N GLU A 28 -1.799 -4.968 5.514 1.00 64.25 N ATOM 482 CA GLU A 28 -3.261 -5.007 5.272 1.00 43.33 C ATOM 483 C GLU A 28 -3.625 -5.675 3.925 1.00 61.45 C ATOM 484 O GLU A 28 -4.748 -6.138 3.755 1.00 23.32 O ATOM 485 CB GLU A 28 -3.861 -3.586 5.360 1.00 31.53 C ATOM 486 CG GLU A 28 -3.597 -2.871 6.706 1.00 42.23 C ATOM 487 CD GLU A 28 -4.092 -3.663 7.934 1.00 15.10 C ATOM 488 OE1 GLU A 28 -5.323 -3.824 8.093 1.00 74.53 O ATOM 489 OE2 GLU A 28 -3.261 -4.148 8.733 1.00 33.30 O ATOM 0 H GLU A 28 -1.373 -4.058 5.337 1.00 64.25 H new ATOM 0 HA GLU A 28 -3.698 -5.626 6.055 1.00 43.33 H new ATOM 0 HB2 GLU A 28 -3.451 -2.980 4.552 1.00 31.53 H new ATOM 0 HB3 GLU A 28 -4.937 -3.647 5.198 1.00 31.53 H new ATOM 0 HG2 GLU A 28 -2.527 -2.690 6.808 1.00 42.23 H new ATOM 0 HG3 GLU A 28 -4.085 -1.896 6.692 1.00 42.23 H new ATOM 496 N CYS A 29 -2.679 -5.711 2.971 1.00 15.33 N ATOM 497 CA CYS A 29 -2.894 -6.372 1.651 1.00 74.32 C ATOM 498 C CYS A 29 -2.836 -7.915 1.753 1.00 4.40 C ATOM 499 O CYS A 29 -3.651 -8.611 1.137 1.00 65.15 O ATOM 500 CB CYS A 29 -1.898 -5.856 0.585 1.00 64.54 C ATOM 501 SG CYS A 29 -2.217 -4.158 0.052 1.00 55.54 S ATOM 0 H CYS A 29 -1.755 -5.293 3.079 1.00 15.33 H new ATOM 0 HA CYS A 29 -3.901 -6.103 1.332 1.00 74.32 H new ATOM 0 HB2 CYS A 29 -0.886 -5.917 0.986 1.00 64.54 H new ATOM 0 HB3 CYS A 29 -1.937 -6.513 -0.284 1.00 64.54 H new ATOM 0 HG CYS A 29 -1.659 -3.330 0.884 1.00 55.54 H new ATOM 507 N GLN A 30 -1.875 -8.447 2.536 1.00 13.30 N ATOM 508 CA GLN A 30 -1.770 -9.911 2.801 1.00 42.32 C ATOM 509 C GLN A 30 -2.933 -10.403 3.704 1.00 60.42 C ATOM 510 O GLN A 30 -3.355 -11.559 3.619 1.00 3.11 O ATOM 511 CB GLN A 30 -0.401 -10.261 3.453 1.00 44.00 C ATOM 512 CG GLN A 30 -0.187 -9.655 4.860 1.00 44.20 C ATOM 513 CD GLN A 30 1.174 -9.954 5.488 1.00 25.22 C ATOM 514 OE1 GLN A 30 2.167 -10.166 4.803 1.00 23.55 O ATOM 515 NE2 GLN A 30 1.233 -9.947 6.804 1.00 43.22 N ATOM 0 H GLN A 30 -1.157 -7.891 3.000 1.00 13.30 H new ATOM 0 HA GLN A 30 -1.840 -10.424 1.842 1.00 42.32 H new ATOM 0 HB2 GLN A 30 -0.312 -11.345 3.521 1.00 44.00 H new ATOM 0 HB3 GLN A 30 0.398 -9.916 2.797 1.00 44.00 H new ATOM 0 HG2 GLN A 30 -0.313 -8.574 4.797 1.00 44.20 H new ATOM 0 HG3 GLN A 30 -0.967 -10.029 5.523 1.00 44.20 H new ATOM 0 HE21 GLN A 30 0.391 -9.768 7.351 1.00 43.22 H new ATOM 0 HE22 GLN A 30 2.121 -10.121 7.276 1.00 43.22 H new ATOM 524 N LYS A 31 -3.430 -9.495 4.561 1.00 24.34 N ATOM 525 CA LYS A 31 -4.566 -9.750 5.468 1.00 5.25 C ATOM 526 C LYS A 31 -5.912 -9.777 4.690 1.00 54.42 C ATOM 527 O LYS A 31 -6.550 -10.828 4.559 1.00 35.32 O ATOM 528 CB LYS A 31 -4.590 -8.643 6.564 1.00 2.40 C ATOM 529 CG LYS A 31 -5.763 -8.737 7.571 1.00 61.51 C ATOM 530 CD LYS A 31 -5.839 -7.511 8.513 1.00 24.41 C ATOM 531 CE LYS A 31 -4.581 -7.336 9.384 1.00 22.15 C ATOM 532 NZ LYS A 31 -4.697 -6.161 10.282 1.00 63.21 N ATOM 0 H LYS A 31 -3.051 -8.552 4.646 1.00 24.34 H new ATOM 0 HA LYS A 31 -4.440 -10.728 5.933 1.00 5.25 H new ATOM 0 HB2 LYS A 31 -3.652 -8.683 7.118 1.00 2.40 H new ATOM 0 HB3 LYS A 31 -4.630 -7.670 6.074 1.00 2.40 H new ATOM 0 HG2 LYS A 31 -6.701 -8.828 7.023 1.00 61.51 H new ATOM 0 HG3 LYS A 31 -5.653 -9.643 8.168 1.00 61.51 H new ATOM 0 HD2 LYS A 31 -5.988 -6.611 7.916 1.00 24.41 H new ATOM 0 HD3 LYS A 31 -6.710 -7.612 9.160 1.00 24.41 H new ATOM 0 HE2 LYS A 31 -4.422 -8.235 9.979 1.00 22.15 H new ATOM 0 HE3 LYS A 31 -3.707 -7.220 8.743 1.00 22.15 H new ATOM 0 HZ1 LYS A 31 -4.283 -6.390 11.208 1.00 63.21 H new ATOM 0 HZ2 LYS A 31 -4.190 -5.354 9.865 1.00 63.21 H new ATOM 0 HZ3 LYS A 31 -5.700 -5.914 10.403 1.00 63.21 H new ATOM 546 N ARG A 32 -6.298 -8.607 4.157 1.00 71.13 N ATOM 547 CA ARG A 32 -7.623 -8.372 3.533 1.00 53.31 C ATOM 548 C ARG A 32 -7.666 -8.911 2.085 1.00 45.12 C ATOM 549 O ARG A 32 -8.505 -9.751 1.744 1.00 13.23 O ATOM 550 CB ARG A 32 -7.935 -6.848 3.553 1.00 34.24 C ATOM 551 CG ARG A 32 -7.807 -6.197 4.953 1.00 40.43 C ATOM 552 CD ARG A 32 -7.931 -4.663 4.917 1.00 32.12 C ATOM 553 NE ARG A 32 -7.695 -4.066 6.241 1.00 4.33 N ATOM 554 CZ ARG A 32 -8.603 -3.493 7.001 1.00 73.24 C ATOM 555 NH1 ARG A 32 -9.828 -3.347 6.599 1.00 0.15 N ATOM 556 NH2 ARG A 32 -8.263 -3.056 8.163 1.00 64.41 N ATOM 0 H ARG A 32 -5.696 -7.784 4.144 1.00 71.13 H new ATOM 0 HA ARG A 32 -8.379 -8.909 4.105 1.00 53.31 H new ATOM 0 HB2 ARG A 32 -7.260 -6.340 2.864 1.00 34.24 H new ATOM 0 HB3 ARG A 32 -8.947 -6.690 3.181 1.00 34.24 H new ATOM 0 HG2 ARG A 32 -8.578 -6.603 5.608 1.00 40.43 H new ATOM 0 HG3 ARG A 32 -6.845 -6.468 5.387 1.00 40.43 H new ATOM 0 HD2 ARG A 32 -7.215 -4.257 4.202 1.00 32.12 H new ATOM 0 HD3 ARG A 32 -8.925 -4.387 4.565 1.00 32.12 H new ATOM 0 HE ARG A 32 -6.742 -4.099 6.602 1.00 4.33 H new ATOM 0 HH11 ARG A 32 -10.105 -3.680 5.675 1.00 0.15 H new ATOM 0 HH12 ARG A 32 -10.514 -2.899 7.207 1.00 0.15 H new ATOM 0 HH21 ARG A 32 -7.300 -3.156 8.484 1.00 64.41 H new ATOM 0 HH22 ARG A 32 -8.957 -2.610 8.763 1.00 64.41 H new ATOM 570 N GLY A 33 -6.736 -8.423 1.247 1.00 72.32 N ATOM 571 CA GLY A 33 -6.670 -8.798 -0.176 1.00 31.21 C ATOM 572 C GLY A 33 -6.585 -7.574 -1.104 1.00 51.34 C ATOM 573 O GLY A 33 -7.019 -6.483 -0.711 1.00 70.52 O ATOM 0 H GLY A 33 -6.014 -7.762 1.534 1.00 72.32 H new ATOM 0 HA2 GLY A 33 -5.801 -9.436 -0.341 1.00 31.21 H new ATOM 0 HA3 GLY A 33 -7.551 -9.386 -0.435 1.00 31.21 H new ATOM 577 N PRO A 34 -6.009 -7.711 -2.347 1.00 55.15 N ATOM 578 CA PRO A 34 -5.943 -6.605 -3.344 1.00 74.43 C ATOM 579 C PRO A 34 -7.348 -6.173 -3.855 1.00 22.22 C ATOM 580 O PRO A 34 -7.909 -6.780 -4.773 1.00 2.03 O ATOM 581 CB PRO A 34 -5.056 -7.187 -4.489 1.00 71.21 C ATOM 582 CG PRO A 34 -4.374 -8.382 -3.883 1.00 21.42 C ATOM 583 CD PRO A 34 -5.348 -8.935 -2.868 1.00 23.13 C ATOM 0 HA PRO A 34 -5.530 -5.692 -2.915 1.00 74.43 H new ATOM 0 HB2 PRO A 34 -5.660 -7.472 -5.350 1.00 71.21 H new ATOM 0 HB3 PRO A 34 -4.330 -6.453 -4.838 1.00 71.21 H new ATOM 0 HG2 PRO A 34 -4.137 -9.125 -4.644 1.00 21.42 H new ATOM 0 HG3 PRO A 34 -3.434 -8.099 -3.410 1.00 21.42 H new ATOM 0 HD2 PRO A 34 -6.064 -9.618 -3.325 1.00 23.13 H new ATOM 0 HD3 PRO A 34 -4.839 -9.488 -2.078 1.00 23.13 H new ATOM 591 N SER A 35 -7.918 -5.137 -3.209 1.00 0.25 N ATOM 592 CA SER A 35 -9.268 -4.596 -3.528 1.00 41.13 C ATOM 593 C SER A 35 -9.281 -3.058 -3.398 1.00 43.21 C ATOM 594 O SER A 35 -8.479 -2.496 -2.647 1.00 22.21 O ATOM 595 CB SER A 35 -10.337 -5.217 -2.585 1.00 73.13 C ATOM 596 OG SER A 35 -10.423 -6.628 -2.740 1.00 74.13 O ATOM 0 H SER A 35 -7.457 -4.644 -2.445 1.00 0.25 H new ATOM 0 HA SER A 35 -9.508 -4.862 -4.558 1.00 41.13 H new ATOM 0 HB2 SER A 35 -10.091 -4.979 -1.550 1.00 73.13 H new ATOM 0 HB3 SER A 35 -11.309 -4.769 -2.792 1.00 73.13 H new ATOM 0 HG SER A 35 -11.103 -6.983 -2.131 1.00 74.13 H new ATOM 602 N SER A 36 -10.214 -2.395 -4.109 1.00 63.42 N ATOM 603 CA SER A 36 -10.314 -0.908 -4.143 1.00 3.11 C ATOM 604 C SER A 36 -10.554 -0.301 -2.741 1.00 0.53 C ATOM 605 O SER A 36 -9.960 0.719 -2.403 1.00 50.10 O ATOM 606 CB SER A 36 -11.434 -0.453 -5.106 1.00 4.21 C ATOM 607 OG SER A 36 -12.708 -0.909 -4.676 1.00 3.00 O ATOM 0 H SER A 36 -10.920 -2.865 -4.676 1.00 63.42 H new ATOM 0 HA SER A 36 -9.354 -0.541 -4.505 1.00 3.11 H new ATOM 0 HB2 SER A 36 -11.439 0.635 -5.171 1.00 4.21 H new ATOM 0 HB3 SER A 36 -11.230 -0.832 -6.108 1.00 4.21 H new ATOM 0 HG SER A 36 -13.394 -0.603 -5.305 1.00 3.00 H new ATOM 613 N LYS A 37 -11.411 -0.960 -1.932 1.00 1.00 N ATOM 614 CA LYS A 37 -11.691 -0.540 -0.533 1.00 71.41 C ATOM 615 C LYS A 37 -10.466 -0.739 0.399 1.00 15.32 C ATOM 616 O LYS A 37 -10.351 -0.056 1.419 1.00 73.10 O ATOM 617 CB LYS A 37 -12.913 -1.303 0.049 1.00 73.14 C ATOM 618 CG LYS A 37 -14.258 -1.006 -0.656 1.00 41.00 C ATOM 619 CD LYS A 37 -15.465 -1.656 0.069 1.00 35.34 C ATOM 620 CE LYS A 37 -15.390 -3.197 0.115 1.00 11.41 C ATOM 621 NZ LYS A 37 -15.465 -3.806 -1.235 1.00 13.13 N ATOM 0 H LYS A 37 -11.926 -1.791 -2.222 1.00 1.00 H new ATOM 0 HA LYS A 37 -11.917 0.526 -0.574 1.00 71.41 H new ATOM 0 HB2 LYS A 37 -12.717 -2.374 -0.009 1.00 73.14 H new ATOM 0 HB3 LYS A 37 -13.010 -1.054 1.106 1.00 73.14 H new ATOM 0 HG2 LYS A 37 -14.407 0.073 -0.707 1.00 41.00 H new ATOM 0 HG3 LYS A 37 -14.215 -1.371 -1.682 1.00 41.00 H new ATOM 0 HD2 LYS A 37 -15.519 -1.271 1.087 1.00 35.34 H new ATOM 0 HD3 LYS A 37 -16.385 -1.358 -0.434 1.00 35.34 H new ATOM 0 HE2 LYS A 37 -14.459 -3.499 0.596 1.00 11.41 H new ATOM 0 HE3 LYS A 37 -16.205 -3.580 0.729 1.00 11.41 H new ATOM 0 HZ1 LYS A 37 -15.445 -4.842 -1.150 1.00 13.13 H new ATOM 0 HZ2 LYS A 37 -16.349 -3.514 -1.699 1.00 13.13 H new ATOM 0 HZ3 LYS A 37 -14.654 -3.490 -1.804 1.00 13.13 H new ATOM 635 N THR A 38 -9.557 -1.668 0.035 1.00 33.03 N ATOM 636 CA THR A 38 -8.343 -1.971 0.835 1.00 3.20 C ATOM 637 C THR A 38 -7.286 -0.879 0.586 1.00 10.20 C ATOM 638 O THR A 38 -6.658 -0.377 1.517 1.00 52.31 O ATOM 639 CB THR A 38 -7.747 -3.381 0.478 1.00 64.32 C ATOM 640 OG1 THR A 38 -8.749 -4.397 0.667 1.00 64.05 O ATOM 641 CG2 THR A 38 -6.498 -3.735 1.322 1.00 1.44 C ATOM 0 H THR A 38 -9.639 -2.227 -0.814 1.00 33.03 H new ATOM 0 HA THR A 38 -8.625 -1.989 1.888 1.00 3.20 H new ATOM 0 HB THR A 38 -7.437 -3.338 -0.566 1.00 64.32 H new ATOM 0 HG1 THR A 38 -8.440 -5.239 0.272 1.00 64.05 H new ATOM 0 HG21 THR A 38 -6.130 -4.719 1.032 1.00 1.44 H new ATOM 0 HG22 THR A 38 -5.720 -2.991 1.150 1.00 1.44 H new ATOM 0 HG23 THR A 38 -6.764 -3.744 2.379 1.00 1.44 H new ATOM 649 N PHE A 39 -7.142 -0.502 -0.695 1.00 72.43 N ATOM 650 CA PHE A 39 -6.234 0.578 -1.135 1.00 10.21 C ATOM 651 C PHE A 39 -6.769 1.970 -0.730 1.00 10.45 C ATOM 652 O PHE A 39 -5.988 2.897 -0.522 1.00 4.43 O ATOM 653 CB PHE A 39 -6.015 0.495 -2.666 1.00 25.00 C ATOM 654 CG PHE A 39 -5.331 -0.797 -3.120 1.00 20.23 C ATOM 655 CD1 PHE A 39 -4.121 -1.198 -2.550 1.00 64.15 C ATOM 656 CD2 PHE A 39 -5.892 -1.611 -4.103 1.00 30.35 C ATOM 657 CE1 PHE A 39 -3.499 -2.362 -2.951 1.00 41.21 C ATOM 658 CE2 PHE A 39 -5.266 -2.776 -4.503 1.00 15.41 C ATOM 659 CZ PHE A 39 -4.074 -3.153 -3.925 1.00 63.04 C ATOM 0 H PHE A 39 -7.654 -0.939 -1.462 1.00 72.43 H new ATOM 0 HA PHE A 39 -5.276 0.442 -0.634 1.00 10.21 H new ATOM 0 HB2 PHE A 39 -6.979 0.581 -3.167 1.00 25.00 H new ATOM 0 HB3 PHE A 39 -5.413 1.346 -2.985 1.00 25.00 H new ATOM 0 HD1 PHE A 39 -3.666 -0.588 -1.784 1.00 64.15 H new ATOM 0 HD2 PHE A 39 -6.829 -1.327 -4.558 1.00 30.35 H new ATOM 0 HE1 PHE A 39 -2.561 -2.655 -2.502 1.00 41.21 H new ATOM 0 HE2 PHE A 39 -5.712 -3.392 -5.270 1.00 15.41 H new ATOM 0 HZ PHE A 39 -3.589 -4.067 -4.234 1.00 63.04 H new ATOM 669 N ALA A 40 -8.108 2.101 -0.635 1.00 1.45 N ATOM 670 CA ALA A 40 -8.778 3.330 -0.144 1.00 14.14 C ATOM 671 C ALA A 40 -8.659 3.460 1.393 1.00 55.12 C ATOM 672 O ALA A 40 -8.551 4.572 1.927 1.00 43.42 O ATOM 673 CB ALA A 40 -10.252 3.347 -0.576 1.00 74.02 C ATOM 0 H ALA A 40 -8.758 1.360 -0.896 1.00 1.45 H new ATOM 0 HA ALA A 40 -8.274 4.188 -0.590 1.00 14.14 H new ATOM 0 HB1 ALA A 40 -10.729 4.255 -0.208 1.00 74.02 H new ATOM 0 HB2 ALA A 40 -10.313 3.321 -1.664 1.00 74.02 H new ATOM 0 HB3 ALA A 40 -10.762 2.477 -0.163 1.00 74.02 H new ATOM 679 N TYR A 41 -8.689 2.307 2.099 1.00 44.31 N ATOM 680 CA TYR A 41 -8.427 2.246 3.557 1.00 21.44 C ATOM 681 C TYR A 41 -6.973 2.678 3.862 1.00 43.12 C ATOM 682 O TYR A 41 -6.737 3.493 4.745 1.00 44.41 O ATOM 683 CB TYR A 41 -8.689 0.818 4.122 1.00 44.33 C ATOM 684 CG TYR A 41 -8.346 0.676 5.622 1.00 25.23 C ATOM 685 CD1 TYR A 41 -9.167 1.240 6.604 1.00 45.42 C ATOM 686 CD2 TYR A 41 -7.182 0.018 6.048 1.00 13.00 C ATOM 687 CE1 TYR A 41 -8.846 1.151 7.941 1.00 12.22 C ATOM 688 CE2 TYR A 41 -6.865 -0.076 7.388 1.00 25.21 C ATOM 689 CZ TYR A 41 -7.697 0.494 8.329 1.00 15.15 C ATOM 690 OH TYR A 41 -7.377 0.407 9.665 1.00 71.23 O ATOM 0 H TYR A 41 -8.893 1.400 1.680 1.00 44.31 H new ATOM 0 HA TYR A 41 -9.115 2.935 4.047 1.00 21.44 H new ATOM 0 HB2 TYR A 41 -9.738 0.563 3.972 1.00 44.33 H new ATOM 0 HB3 TYR A 41 -8.101 0.097 3.553 1.00 44.33 H new ATOM 0 HD1 TYR A 41 -10.069 1.755 6.309 1.00 45.42 H new ATOM 0 HD2 TYR A 41 -6.523 -0.422 5.315 1.00 13.00 H new ATOM 0 HE1 TYR A 41 -9.493 1.595 8.684 1.00 12.22 H new ATOM 0 HE2 TYR A 41 -5.969 -0.594 7.698 1.00 25.21 H new ATOM 0 HH TYR A 41 -6.538 -0.088 9.769 1.00 71.23 H new ATOM 700 N LEU A 42 -6.024 2.099 3.110 1.00 1.12 N ATOM 701 CA LEU A 42 -4.580 2.431 3.186 1.00 31.04 C ATOM 702 C LEU A 42 -4.288 3.873 2.707 1.00 24.24 C ATOM 703 O LEU A 42 -3.313 4.484 3.132 1.00 1.10 O ATOM 704 CB LEU A 42 -3.777 1.402 2.358 1.00 44.44 C ATOM 705 CG LEU A 42 -3.748 -0.046 2.943 1.00 24.52 C ATOM 706 CD1 LEU A 42 -3.201 -1.063 1.913 1.00 54.33 C ATOM 707 CD2 LEU A 42 -2.942 -0.079 4.264 1.00 70.52 C ATOM 0 H LEU A 42 -6.234 1.377 2.421 1.00 1.12 H new ATOM 0 HA LEU A 42 -4.271 2.382 4.230 1.00 31.04 H new ATOM 0 HB2 LEU A 42 -4.196 1.362 1.353 1.00 44.44 H new ATOM 0 HB3 LEU A 42 -2.751 1.758 2.262 1.00 44.44 H new ATOM 0 HG LEU A 42 -4.773 -0.344 3.167 1.00 24.52 H new ATOM 0 HD11 LEU A 42 -3.195 -2.060 2.354 1.00 54.33 H new ATOM 0 HD12 LEU A 42 -3.837 -1.062 1.028 1.00 54.33 H new ATOM 0 HD13 LEU A 42 -2.186 -0.785 1.631 1.00 54.33 H new ATOM 0 HD21 LEU A 42 -2.932 -1.095 4.659 1.00 70.52 H new ATOM 0 HD22 LEU A 42 -1.919 0.247 4.075 1.00 70.52 H new ATOM 0 HD23 LEU A 42 -3.407 0.588 4.991 1.00 70.52 H new ATOM 719 N ALA A 43 -5.144 4.395 1.814 1.00 11.13 N ATOM 720 CA ALA A 43 -5.099 5.810 1.384 1.00 12.01 C ATOM 721 C ALA A 43 -5.466 6.759 2.546 1.00 1.21 C ATOM 722 O ALA A 43 -4.828 7.785 2.742 1.00 13.51 O ATOM 723 CB ALA A 43 -6.036 6.029 0.191 1.00 54.23 C ATOM 0 H ALA A 43 -5.885 3.854 1.369 1.00 11.13 H new ATOM 0 HA ALA A 43 -4.079 6.041 1.077 1.00 12.01 H new ATOM 0 HB1 ALA A 43 -5.995 7.074 -0.117 1.00 54.23 H new ATOM 0 HB2 ALA A 43 -5.724 5.394 -0.638 1.00 54.23 H new ATOM 0 HB3 ALA A 43 -7.056 5.775 0.478 1.00 54.23 H new ATOM 729 N ALA A 44 -6.499 6.386 3.319 1.00 61.31 N ATOM 730 CA ALA A 44 -6.920 7.136 4.529 1.00 12.22 C ATOM 731 C ALA A 44 -5.909 6.949 5.695 1.00 23.25 C ATOM 732 O ALA A 44 -5.656 7.874 6.475 1.00 55.54 O ATOM 733 CB ALA A 44 -8.327 6.689 4.955 1.00 3.04 C ATOM 0 H ALA A 44 -7.068 5.561 3.130 1.00 61.31 H new ATOM 0 HA ALA A 44 -6.941 8.198 4.283 1.00 12.22 H new ATOM 0 HB1 ALA A 44 -8.631 7.242 5.843 1.00 3.04 H new ATOM 0 HB2 ALA A 44 -9.031 6.885 4.147 1.00 3.04 H new ATOM 0 HB3 ALA A 44 -8.318 5.622 5.178 1.00 3.04 H new ATOM 739 N LYS A 45 -5.334 5.740 5.767 1.00 44.12 N ATOM 740 CA LYS A 45 -4.352 5.331 6.795 1.00 54.31 C ATOM 741 C LYS A 45 -3.021 6.106 6.643 1.00 11.55 C ATOM 742 O LYS A 45 -2.403 6.517 7.633 1.00 11.44 O ATOM 743 CB LYS A 45 -4.107 3.798 6.665 1.00 44.34 C ATOM 744 CG LYS A 45 -3.096 3.184 7.657 1.00 2.22 C ATOM 745 CD LYS A 45 -3.544 3.304 9.130 1.00 54.53 C ATOM 746 CE LYS A 45 -2.535 2.672 10.105 1.00 71.20 C ATOM 747 NZ LYS A 45 -2.943 2.860 11.518 1.00 11.04 N ATOM 0 H LYS A 45 -5.540 4.998 5.098 1.00 44.12 H new ATOM 0 HA LYS A 45 -4.750 5.564 7.783 1.00 54.31 H new ATOM 0 HB2 LYS A 45 -5.062 3.287 6.788 1.00 44.34 H new ATOM 0 HB3 LYS A 45 -3.762 3.591 5.652 1.00 44.34 H new ATOM 0 HG2 LYS A 45 -2.949 2.132 7.413 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -2.131 3.677 7.535 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -3.677 4.356 9.381 1.00 54.53 H new ATOM 0 HD3 LYS A 45 -4.514 2.822 9.252 1.00 54.53 H new ATOM 0 HE2 LYS A 45 -2.442 1.607 9.892 1.00 71.20 H new ATOM 0 HE3 LYS A 45 -1.552 3.115 9.949 1.00 71.20 H new ATOM 0 HZ1 LYS A 45 -2.238 2.421 12.144 1.00 11.04 H new ATOM 0 HZ2 LYS A 45 -3.007 3.876 11.728 1.00 11.04 H new ATOM 0 HZ3 LYS A 45 -3.870 2.415 11.674 1.00 11.04 H new ATOM 761 N LEU A 46 -2.597 6.297 5.381 1.00 3.43 N ATOM 762 CA LEU A 46 -1.300 6.931 5.032 1.00 41.14 C ATOM 763 C LEU A 46 -1.483 8.344 4.416 1.00 51.24 C ATOM 764 O LEU A 46 -0.523 8.907 3.885 1.00 51.50 O ATOM 765 CB LEU A 46 -0.536 6.008 4.042 1.00 70.22 C ATOM 766 CG LEU A 46 -0.376 4.520 4.493 1.00 54.42 C ATOM 767 CD1 LEU A 46 0.272 3.677 3.386 1.00 40.11 C ATOM 768 CD2 LEU A 46 0.404 4.402 5.828 1.00 73.12 C ATOM 0 H LEU A 46 -3.143 6.017 4.566 1.00 3.43 H new ATOM 0 HA LEU A 46 -0.726 7.058 5.950 1.00 41.14 H new ATOM 0 HB2 LEU A 46 -1.055 6.025 3.084 1.00 70.22 H new ATOM 0 HB3 LEU A 46 0.456 6.427 3.875 1.00 70.22 H new ATOM 0 HG LEU A 46 -1.375 4.123 4.674 1.00 54.42 H new ATOM 0 HD11 LEU A 46 0.372 2.646 3.725 1.00 40.11 H new ATOM 0 HD12 LEU A 46 -0.353 3.706 2.493 1.00 40.11 H new ATOM 0 HD13 LEU A 46 1.258 4.079 3.152 1.00 40.11 H new ATOM 0 HD21 LEU A 46 0.493 3.352 6.106 1.00 73.12 H new ATOM 0 HD22 LEU A 46 1.399 4.831 5.707 1.00 73.12 H new ATOM 0 HD23 LEU A 46 -0.131 4.940 6.611 1.00 73.12 H new ATOM 780 N ASP A 47 -2.723 8.899 4.518 1.00 73.03 N ATOM 781 CA ASP A 47 -3.167 10.212 3.920 1.00 53.34 C ATOM 782 C ASP A 47 -2.819 10.393 2.399 1.00 74.34 C ATOM 783 O ASP A 47 -2.798 11.516 1.882 1.00 12.43 O ATOM 784 CB ASP A 47 -2.731 11.446 4.790 1.00 24.40 C ATOM 785 CG ASP A 47 -1.214 11.620 4.987 1.00 14.32 C ATOM 786 OD1 ASP A 47 -0.505 11.971 4.014 1.00 71.15 O ATOM 787 OD2 ASP A 47 -0.713 11.367 6.104 1.00 73.32 O ATOM 0 H ASP A 47 -3.473 8.438 5.033 1.00 73.03 H new ATOM 0 HA ASP A 47 -4.256 10.170 3.946 1.00 53.34 H new ATOM 0 HB2 ASP A 47 -3.125 12.351 4.328 1.00 24.40 H new ATOM 0 HB3 ASP A 47 -3.199 11.360 5.771 1.00 24.40 H new ATOM 792 N LYS A 48 -2.619 9.266 1.678 1.00 4.11 N ATOM 793 CA LYS A 48 -2.294 9.258 0.221 1.00 62.03 C ATOM 794 C LYS A 48 -3.553 8.964 -0.636 1.00 63.31 C ATOM 795 O LYS A 48 -4.669 8.942 -0.124 1.00 62.11 O ATOM 796 CB LYS A 48 -1.175 8.214 -0.066 1.00 13.33 C ATOM 797 CG LYS A 48 0.132 8.442 0.732 1.00 21.44 C ATOM 798 CD LYS A 48 0.767 9.835 0.486 1.00 51.20 C ATOM 799 CE LYS A 48 2.024 10.065 1.341 1.00 32.23 C ATOM 800 NZ LYS A 48 1.748 9.919 2.796 1.00 15.53 N ATOM 0 H LYS A 48 -2.677 8.332 2.084 1.00 4.11 H new ATOM 0 HA LYS A 48 -1.934 10.249 -0.056 1.00 62.03 H new ATOM 0 HB2 LYS A 48 -1.556 7.219 0.162 1.00 13.33 H new ATOM 0 HB3 LYS A 48 -0.944 8.231 -1.131 1.00 13.33 H new ATOM 0 HG2 LYS A 48 -0.076 8.328 1.796 1.00 21.44 H new ATOM 0 HG3 LYS A 48 0.853 7.670 0.463 1.00 21.44 H new ATOM 0 HD2 LYS A 48 1.025 9.933 -0.568 1.00 51.20 H new ATOM 0 HD3 LYS A 48 0.033 10.610 0.708 1.00 51.20 H new ATOM 0 HE2 LYS A 48 2.797 9.355 1.046 1.00 32.23 H new ATOM 0 HE3 LYS A 48 2.417 11.063 1.146 1.00 32.23 H new ATOM 0 HZ1 LYS A 48 2.048 10.781 3.295 1.00 15.53 H new ATOM 0 HZ2 LYS A 48 0.729 9.771 2.943 1.00 15.53 H new ATOM 0 HZ3 LYS A 48 2.273 9.103 3.169 1.00 15.53 H new ATOM 814 N ASN A 49 -3.363 8.769 -1.956 1.00 45.22 N ATOM 815 CA ASN A 49 -4.457 8.406 -2.899 1.00 73.25 C ATOM 816 C ASN A 49 -4.459 6.874 -3.168 1.00 72.25 C ATOM 817 O ASN A 49 -3.385 6.273 -3.212 1.00 32.14 O ATOM 818 CB ASN A 49 -4.278 9.186 -4.221 1.00 21.34 C ATOM 819 CG ASN A 49 -4.397 10.700 -4.036 1.00 3.21 C ATOM 820 OD1 ASN A 49 -5.467 11.274 -4.176 1.00 65.52 O ATOM 821 ND2 ASN A 49 -3.304 11.356 -3.696 1.00 55.21 N ATOM 0 H ASN A 49 -2.451 8.857 -2.405 1.00 45.22 H new ATOM 0 HA ASN A 49 -5.415 8.673 -2.453 1.00 73.25 H new ATOM 0 HB2 ASN A 49 -3.302 8.952 -4.646 1.00 21.34 H new ATOM 0 HB3 ASN A 49 -5.027 8.852 -4.939 1.00 21.34 H new ATOM 0 HD21 ASN A 49 -3.341 12.364 -3.544 1.00 55.21 H new ATOM 0 HD22 ASN A 49 -2.422 10.855 -3.585 1.00 55.21 H new ATOM 828 N PRO A 50 -5.667 6.223 -3.367 1.00 44.14 N ATOM 829 CA PRO A 50 -5.777 4.746 -3.605 1.00 20.25 C ATOM 830 C PRO A 50 -4.975 4.248 -4.835 1.00 44.44 C ATOM 831 O PRO A 50 -4.480 3.119 -4.842 1.00 22.15 O ATOM 832 CB PRO A 50 -7.300 4.522 -3.809 1.00 52.13 C ATOM 833 CG PRO A 50 -7.953 5.695 -3.141 1.00 23.15 C ATOM 834 CD PRO A 50 -7.014 6.860 -3.360 1.00 54.55 C ATOM 0 HA PRO A 50 -5.353 4.183 -2.774 1.00 20.25 H new ATOM 0 HB2 PRO A 50 -7.555 4.478 -4.868 1.00 52.13 H new ATOM 0 HB3 PRO A 50 -7.625 3.582 -3.363 1.00 52.13 H new ATOM 0 HG2 PRO A 50 -8.934 5.896 -3.572 1.00 23.15 H new ATOM 0 HG3 PRO A 50 -8.104 5.507 -2.078 1.00 23.15 H new ATOM 0 HD2 PRO A 50 -7.221 7.372 -4.300 1.00 54.55 H new ATOM 0 HD3 PRO A 50 -7.103 7.602 -2.567 1.00 54.55 H new ATOM 842 N ASN A 51 -4.876 5.111 -5.869 1.00 10.34 N ATOM 843 CA ASN A 51 -4.051 4.865 -7.081 1.00 64.10 C ATOM 844 C ASN A 51 -2.552 4.722 -6.720 1.00 62.42 C ATOM 845 O ASN A 51 -1.890 3.768 -7.136 1.00 12.41 O ATOM 846 CB ASN A 51 -4.255 6.031 -8.096 1.00 53.40 C ATOM 847 CG ASN A 51 -3.403 5.928 -9.376 1.00 65.50 C ATOM 848 OD1 ASN A 51 -2.966 6.936 -9.922 1.00 52.25 O ATOM 849 ND2 ASN A 51 -3.185 4.725 -9.892 1.00 1.31 N ATOM 0 H ASN A 51 -5.368 6.004 -5.890 1.00 10.34 H new ATOM 0 HA ASN A 51 -4.373 3.928 -7.535 1.00 64.10 H new ATOM 0 HB2 ASN A 51 -5.307 6.069 -8.378 1.00 53.40 H new ATOM 0 HB3 ASN A 51 -4.025 6.973 -7.598 1.00 53.40 H new ATOM 0 HD21 ASN A 51 -2.648 4.629 -10.754 1.00 1.31 H new ATOM 0 HD22 ASN A 51 -3.555 3.896 -9.427 1.00 1.31 H new ATOM 856 N GLN A 52 -2.053 5.683 -5.922 1.00 63.22 N ATOM 857 CA GLN A 52 -0.645 5.722 -5.458 1.00 5.41 C ATOM 858 C GLN A 52 -0.308 4.497 -4.571 1.00 22.40 C ATOM 859 O GLN A 52 0.770 3.911 -4.690 1.00 74.32 O ATOM 860 CB GLN A 52 -0.393 7.030 -4.663 1.00 22.31 C ATOM 861 CG GLN A 52 -0.733 8.319 -5.429 1.00 75.42 C ATOM 862 CD GLN A 52 -0.551 9.593 -4.594 1.00 63.44 C ATOM 863 OE1 GLN A 52 -0.687 9.581 -3.371 1.00 23.23 O ATOM 864 NE2 GLN A 52 -0.269 10.706 -5.245 1.00 42.34 N ATOM 0 H GLN A 52 -2.615 6.461 -5.576 1.00 63.22 H new ATOM 0 HA GLN A 52 0.002 5.692 -6.335 1.00 5.41 H new ATOM 0 HB2 GLN A 52 -0.982 7.002 -3.746 1.00 22.31 H new ATOM 0 HB3 GLN A 52 0.656 7.064 -4.368 1.00 22.31 H new ATOM 0 HG2 GLN A 52 -0.103 8.382 -6.316 1.00 75.42 H new ATOM 0 HG3 GLN A 52 -1.765 8.265 -5.775 1.00 75.42 H new ATOM 0 HE21 GLN A 52 -0.161 10.690 -6.259 1.00 42.34 H new ATOM 0 HE22 GLN A 52 -0.159 11.582 -4.734 1.00 42.34 H new ATOM 873 N VAL A 53 -1.256 4.135 -3.687 1.00 11.35 N ATOM 874 CA VAL A 53 -1.141 2.962 -2.784 1.00 12.02 C ATOM 875 C VAL A 53 -1.120 1.632 -3.582 1.00 11.11 C ATOM 876 O VAL A 53 -0.329 0.729 -3.289 1.00 3.12 O ATOM 877 CB VAL A 53 -2.327 2.933 -1.744 1.00 13.21 C ATOM 878 CG1 VAL A 53 -2.285 1.661 -0.862 1.00 35.11 C ATOM 879 CG2 VAL A 53 -2.329 4.213 -0.868 1.00 12.40 C ATOM 0 H VAL A 53 -2.131 4.648 -3.574 1.00 11.35 H new ATOM 0 HA VAL A 53 -0.197 3.061 -2.248 1.00 12.02 H new ATOM 0 HB VAL A 53 -3.257 2.907 -2.312 1.00 13.21 H new ATOM 0 HG11 VAL A 53 -3.118 1.678 -0.159 1.00 35.11 H new ATOM 0 HG12 VAL A 53 -2.362 0.777 -1.495 1.00 35.11 H new ATOM 0 HG13 VAL A 53 -1.345 1.631 -0.311 1.00 35.11 H new ATOM 0 HG21 VAL A 53 -3.156 4.168 -0.160 1.00 12.40 H new ATOM 0 HG22 VAL A 53 -1.388 4.282 -0.323 1.00 12.40 H new ATOM 0 HG23 VAL A 53 -2.444 5.090 -1.505 1.00 12.40 H new ATOM 889 N SER A 54 -2.003 1.541 -4.590 1.00 25.11 N ATOM 890 CA SER A 54 -2.150 0.340 -5.450 1.00 3.31 C ATOM 891 C SER A 54 -0.877 0.064 -6.275 1.00 2.42 C ATOM 892 O SER A 54 -0.427 -1.082 -6.375 1.00 14.33 O ATOM 893 CB SER A 54 -3.356 0.515 -6.394 1.00 21.10 C ATOM 894 OG SER A 54 -3.560 -0.632 -7.203 1.00 51.33 O ATOM 0 H SER A 54 -2.641 2.298 -4.838 1.00 25.11 H new ATOM 0 HA SER A 54 -2.314 -0.516 -4.796 1.00 3.31 H new ATOM 0 HB2 SER A 54 -4.253 0.710 -5.806 1.00 21.10 H new ATOM 0 HB3 SER A 54 -3.197 1.385 -7.030 1.00 21.10 H new ATOM 0 HG SER A 54 -4.333 -0.487 -7.788 1.00 51.33 H new ATOM 900 N GLU A 55 -0.306 1.133 -6.859 1.00 62.24 N ATOM 901 CA GLU A 55 0.982 1.069 -7.585 1.00 50.14 C ATOM 902 C GLU A 55 2.149 0.738 -6.630 1.00 40.01 C ATOM 903 O GLU A 55 2.987 -0.096 -6.961 1.00 5.03 O ATOM 904 CB GLU A 55 1.256 2.400 -8.333 1.00 1.14 C ATOM 905 CG GLU A 55 0.274 2.693 -9.490 1.00 62.12 C ATOM 906 CD GLU A 55 0.616 3.982 -10.253 1.00 21.30 C ATOM 907 OE1 GLU A 55 1.658 4.011 -10.949 1.00 51.43 O ATOM 908 OE2 GLU A 55 -0.130 4.977 -10.147 1.00 22.23 O ATOM 0 H GLU A 55 -0.721 2.065 -6.843 1.00 62.24 H new ATOM 0 HA GLU A 55 0.909 0.266 -8.318 1.00 50.14 H new ATOM 0 HB2 GLU A 55 1.212 3.221 -7.618 1.00 1.14 H new ATOM 0 HB3 GLU A 55 2.271 2.378 -8.730 1.00 1.14 H new ATOM 0 HG2 GLU A 55 0.279 1.853 -10.185 1.00 62.12 H new ATOM 0 HG3 GLU A 55 -0.737 2.771 -9.091 1.00 62.12 H new ATOM 915 N ARG A 56 2.159 1.373 -5.436 1.00 52.22 N ATOM 916 CA ARG A 56 3.215 1.166 -4.411 1.00 41.25 C ATOM 917 C ARG A 56 3.265 -0.310 -3.940 1.00 1.02 C ATOM 918 O ARG A 56 4.344 -0.866 -3.773 1.00 64.04 O ATOM 919 CB ARG A 56 3.005 2.109 -3.193 1.00 62.25 C ATOM 920 CG ARG A 56 4.127 2.047 -2.122 1.00 13.53 C ATOM 921 CD ARG A 56 5.503 2.429 -2.695 1.00 50.14 C ATOM 922 NE ARG A 56 6.574 2.390 -1.685 1.00 31.41 N ATOM 923 CZ ARG A 56 7.862 2.502 -1.950 1.00 61.33 C ATOM 924 NH1 ARG A 56 8.302 2.573 -3.168 1.00 53.30 N ATOM 925 NH2 ARG A 56 8.706 2.536 -0.983 1.00 72.03 N ATOM 0 H ARG A 56 1.441 2.040 -5.154 1.00 52.22 H new ATOM 0 HA ARG A 56 4.170 1.408 -4.878 1.00 41.25 H new ATOM 0 HB2 ARG A 56 2.923 3.134 -3.555 1.00 62.25 H new ATOM 0 HB3 ARG A 56 2.055 1.861 -2.719 1.00 62.25 H new ATOM 0 HG2 ARG A 56 3.879 2.719 -1.300 1.00 13.53 H new ATOM 0 HG3 ARG A 56 4.175 1.040 -1.707 1.00 13.53 H new ATOM 0 HD2 ARG A 56 5.753 1.749 -3.510 1.00 50.14 H new ATOM 0 HD3 ARG A 56 5.448 3.431 -3.121 1.00 50.14 H new ATOM 0 HE ARG A 56 6.301 2.268 -0.710 1.00 31.41 H new ATOM 0 HH11 ARG A 56 7.647 2.543 -3.949 1.00 53.30 H new ATOM 0 HH12 ARG A 56 9.303 2.659 -3.344 1.00 53.30 H new ATOM 0 HH21 ARG A 56 8.379 2.477 -0.019 1.00 72.03 H new ATOM 0 HH22 ARG A 56 9.703 2.622 -1.179 1.00 72.03 H new ATOM 939 N PHE A 57 2.079 -0.913 -3.738 1.00 62.23 N ATOM 940 CA PHE A 57 1.917 -2.358 -3.431 1.00 53.44 C ATOM 941 C PHE A 57 2.641 -3.243 -4.478 1.00 31.15 C ATOM 942 O PHE A 57 3.390 -4.164 -4.136 1.00 53.53 O ATOM 943 CB PHE A 57 0.397 -2.703 -3.384 1.00 63.11 C ATOM 944 CG PHE A 57 0.050 -4.196 -3.303 1.00 32.15 C ATOM 945 CD1 PHE A 57 0.652 -5.027 -2.361 1.00 54.04 C ATOM 946 CD2 PHE A 57 -0.882 -4.768 -4.176 1.00 63.35 C ATOM 947 CE1 PHE A 57 0.337 -6.371 -2.287 1.00 64.35 C ATOM 948 CE2 PHE A 57 -1.196 -6.110 -4.101 1.00 22.01 C ATOM 949 CZ PHE A 57 -0.584 -6.914 -3.161 1.00 25.22 C ATOM 0 H PHE A 57 1.192 -0.410 -3.782 1.00 62.23 H new ATOM 0 HA PHE A 57 2.371 -2.563 -2.461 1.00 53.44 H new ATOM 0 HB2 PHE A 57 -0.043 -2.200 -2.523 1.00 63.11 H new ATOM 0 HB3 PHE A 57 -0.078 -2.287 -4.273 1.00 63.11 H new ATOM 0 HD1 PHE A 57 1.378 -4.614 -1.676 1.00 54.04 H new ATOM 0 HD2 PHE A 57 -1.363 -4.150 -4.920 1.00 63.35 H new ATOM 0 HE1 PHE A 57 0.811 -6.997 -1.545 1.00 64.35 H new ATOM 0 HE2 PHE A 57 -1.922 -6.532 -4.780 1.00 22.01 H new ATOM 0 HZ PHE A 57 -0.825 -7.966 -3.109 1.00 25.22 H new ATOM 959 N GLN A 58 2.398 -2.930 -5.749 1.00 63.40 N ATOM 960 CA GLN A 58 2.959 -3.675 -6.891 1.00 71.24 C ATOM 961 C GLN A 58 4.464 -3.359 -7.120 1.00 23.22 C ATOM 962 O GLN A 58 5.182 -4.187 -7.677 1.00 31.22 O ATOM 963 CB GLN A 58 2.102 -3.397 -8.142 1.00 23.35 C ATOM 964 CG GLN A 58 0.609 -3.737 -7.926 1.00 1.03 C ATOM 965 CD GLN A 58 -0.250 -3.495 -9.164 1.00 41.32 C ATOM 966 OE1 GLN A 58 -0.412 -4.374 -10.007 1.00 72.31 O ATOM 967 NE2 GLN A 58 -0.812 -2.308 -9.283 1.00 1.32 N ATOM 0 H GLN A 58 1.803 -2.149 -6.025 1.00 63.40 H new ATOM 0 HA GLN A 58 2.921 -4.742 -6.670 1.00 71.24 H new ATOM 0 HB2 GLN A 58 2.196 -2.346 -8.416 1.00 23.35 H new ATOM 0 HB3 GLN A 58 2.487 -3.980 -8.979 1.00 23.35 H new ATOM 0 HG2 GLN A 58 0.521 -4.782 -7.630 1.00 1.03 H new ATOM 0 HG3 GLN A 58 0.223 -3.138 -7.101 1.00 1.03 H new ATOM 0 HE21 GLN A 58 -0.660 -1.598 -8.567 1.00 1.32 H new ATOM 0 HE22 GLN A 58 -1.399 -2.100 -10.091 1.00 1.32 H new ATOM 976 N GLN A 59 4.931 -2.171 -6.673 1.00 11.31 N ATOM 977 CA GLN A 59 6.378 -1.827 -6.666 1.00 21.31 C ATOM 978 C GLN A 59 7.106 -2.699 -5.632 1.00 13.44 C ATOM 979 O GLN A 59 8.168 -3.239 -5.899 1.00 21.44 O ATOM 980 CB GLN A 59 6.617 -0.327 -6.324 1.00 42.23 C ATOM 981 CG GLN A 59 6.065 0.676 -7.357 1.00 43.33 C ATOM 982 CD GLN A 59 6.326 2.143 -6.984 1.00 21.32 C ATOM 983 OE1 GLN A 59 6.425 2.502 -5.811 1.00 70.43 O ATOM 984 NE2 GLN A 59 6.413 3.000 -7.975 1.00 65.11 N ATOM 0 H GLN A 59 4.329 -1.431 -6.311 1.00 11.31 H new ATOM 0 HA GLN A 59 6.767 -2.012 -7.667 1.00 21.31 H new ATOM 0 HB2 GLN A 59 6.163 -0.114 -5.356 1.00 42.23 H new ATOM 0 HB3 GLN A 59 7.689 -0.161 -6.217 1.00 42.23 H new ATOM 0 HG2 GLN A 59 6.515 0.470 -8.328 1.00 43.33 H new ATOM 0 HG3 GLN A 59 4.991 0.522 -7.464 1.00 43.33 H new ATOM 0 HE21 GLN A 59 6.327 2.676 -8.938 1.00 65.11 H new ATOM 0 HE22 GLN A 59 6.566 3.990 -7.781 1.00 65.11 H new ATOM 993 N LEU A 60 6.491 -2.810 -4.448 1.00 42.25 N ATOM 994 CA LEU A 60 6.957 -3.669 -3.346 1.00 21.13 C ATOM 995 C LEU A 60 7.104 -5.139 -3.790 1.00 72.44 C ATOM 996 O LEU A 60 8.178 -5.708 -3.702 1.00 4.13 O ATOM 997 CB LEU A 60 5.958 -3.555 -2.172 1.00 10.33 C ATOM 998 CG LEU A 60 6.003 -2.203 -1.396 1.00 62.12 C ATOM 999 CD1 LEU A 60 4.689 -1.953 -0.616 1.00 21.10 C ATOM 1000 CD2 LEU A 60 7.246 -2.164 -0.469 1.00 70.24 C ATOM 0 H LEU A 60 5.639 -2.297 -4.222 1.00 42.25 H new ATOM 0 HA LEU A 60 7.945 -3.332 -3.031 1.00 21.13 H new ATOM 0 HB2 LEU A 60 4.949 -3.702 -2.558 1.00 10.33 H new ATOM 0 HB3 LEU A 60 6.152 -4.366 -1.470 1.00 10.33 H new ATOM 0 HG LEU A 60 6.094 -1.391 -2.117 1.00 62.12 H new ATOM 0 HD11 LEU A 60 4.755 -1.002 -0.087 1.00 21.10 H new ATOM 0 HD12 LEU A 60 3.852 -1.923 -1.314 1.00 21.10 H new ATOM 0 HD13 LEU A 60 4.534 -2.758 0.102 1.00 21.10 H new ATOM 0 HD21 LEU A 60 7.269 -1.216 0.069 1.00 70.24 H new ATOM 0 HD22 LEU A 60 7.193 -2.985 0.245 1.00 70.24 H new ATOM 0 HD23 LEU A 60 8.151 -2.263 -1.069 1.00 70.24 H new ATOM 1012 N MET A 61 6.020 -5.725 -4.309 1.00 14.15 N ATOM 1013 CA MET A 61 6.004 -7.142 -4.739 1.00 54.14 C ATOM 1014 C MET A 61 6.941 -7.412 -5.945 1.00 13.33 C ATOM 1015 O MET A 61 7.462 -8.523 -6.080 1.00 25.23 O ATOM 1016 CB MET A 61 4.549 -7.582 -5.036 1.00 34.05 C ATOM 1017 CG MET A 61 3.598 -7.572 -3.814 1.00 1.22 C ATOM 1018 SD MET A 61 3.844 -8.955 -2.652 1.00 52.11 S ATOM 1019 CE MET A 61 5.257 -8.461 -1.652 1.00 22.31 C ATOM 0 H MET A 61 5.132 -5.242 -4.445 1.00 14.15 H new ATOM 0 HA MET A 61 6.396 -7.744 -3.919 1.00 54.14 H new ATOM 0 HB2 MET A 61 4.137 -6.926 -5.803 1.00 34.05 H new ATOM 0 HB3 MET A 61 4.568 -8.589 -5.454 1.00 34.05 H new ATOM 0 HG2 MET A 61 3.730 -6.634 -3.275 1.00 1.22 H new ATOM 0 HG3 MET A 61 2.568 -7.593 -4.171 1.00 1.22 H new ATOM 0 HE1 MET A 61 5.034 -8.630 -0.599 1.00 22.31 H new ATOM 0 HE2 MET A 61 6.129 -9.050 -1.938 1.00 22.31 H new ATOM 0 HE3 MET A 61 5.465 -7.403 -1.813 1.00 22.31 H new ATOM 1029 N LYS A 62 7.154 -6.399 -6.807 1.00 1.22 N ATOM 1030 CA LYS A 62 8.063 -6.513 -7.974 1.00 34.53 C ATOM 1031 C LYS A 62 9.562 -6.428 -7.567 1.00 42.02 C ATOM 1032 O LYS A 62 10.382 -7.204 -8.059 1.00 62.31 O ATOM 1033 CB LYS A 62 7.711 -5.443 -9.043 1.00 64.21 C ATOM 1034 CG LYS A 62 8.338 -5.702 -10.438 1.00 12.22 C ATOM 1035 CD LYS A 62 7.726 -4.811 -11.545 1.00 41.00 C ATOM 1036 CE LYS A 62 8.184 -5.216 -12.963 1.00 53.12 C ATOM 1037 NZ LYS A 62 7.458 -4.465 -14.023 1.00 41.15 N ATOM 0 H LYS A 62 6.708 -5.486 -6.720 1.00 1.22 H new ATOM 0 HA LYS A 62 7.913 -7.502 -8.408 1.00 34.53 H new ATOM 0 HB2 LYS A 62 6.627 -5.395 -9.148 1.00 64.21 H new ATOM 0 HB3 LYS A 62 8.040 -4.467 -8.685 1.00 64.21 H new ATOM 0 HG2 LYS A 62 9.412 -5.524 -10.387 1.00 12.22 H new ATOM 0 HG3 LYS A 62 8.201 -6.750 -10.704 1.00 12.22 H new ATOM 0 HD2 LYS A 62 6.639 -4.867 -11.490 1.00 41.00 H new ATOM 0 HD3 LYS A 62 8.002 -3.772 -11.362 1.00 41.00 H new ATOM 0 HE2 LYS A 62 9.255 -5.038 -13.062 1.00 53.12 H new ATOM 0 HE3 LYS A 62 8.025 -6.285 -13.103 1.00 53.12 H new ATOM 0 HZ1 LYS A 62 7.797 -4.769 -14.958 1.00 41.15 H new ATOM 0 HZ2 LYS A 62 6.438 -4.655 -13.946 1.00 41.15 H new ATOM 0 HZ3 LYS A 62 7.630 -3.446 -13.907 1.00 41.15 H new ATOM 1051 N LEU A 63 9.906 -5.480 -6.668 1.00 3.00 N ATOM 1052 CA LEU A 63 11.307 -5.264 -6.205 1.00 33.11 C ATOM 1053 C LEU A 63 11.751 -6.354 -5.197 1.00 2.12 C ATOM 1054 O LEU A 63 12.876 -6.850 -5.276 1.00 12.21 O ATOM 1055 CB LEU A 63 11.489 -3.847 -5.590 1.00 3.14 C ATOM 1056 CG LEU A 63 11.228 -2.636 -6.557 1.00 65.25 C ATOM 1057 CD1 LEU A 63 11.476 -1.283 -5.846 1.00 24.52 C ATOM 1058 CD2 LEU A 63 12.060 -2.755 -7.858 1.00 31.25 C ATOM 0 H LEU A 63 9.231 -4.844 -6.242 1.00 3.00 H new ATOM 0 HA LEU A 63 11.947 -5.339 -7.084 1.00 33.11 H new ATOM 0 HB2 LEU A 63 10.818 -3.755 -4.736 1.00 3.14 H new ATOM 0 HB3 LEU A 63 12.506 -3.767 -5.207 1.00 3.14 H new ATOM 0 HG LEU A 63 10.177 -2.668 -6.843 1.00 65.25 H new ATOM 0 HD11 LEU A 63 11.287 -0.466 -6.542 1.00 24.52 H new ATOM 0 HD12 LEU A 63 10.806 -1.193 -4.991 1.00 24.52 H new ATOM 0 HD13 LEU A 63 12.510 -1.236 -5.504 1.00 24.52 H new ATOM 0 HD21 LEU A 63 11.853 -1.900 -8.502 1.00 31.25 H new ATOM 0 HD22 LEU A 63 13.121 -2.775 -7.611 1.00 31.25 H new ATOM 0 HD23 LEU A 63 11.792 -3.674 -8.379 1.00 31.25 H new ATOM 1070 N PHE A 64 10.853 -6.708 -4.252 1.00 23.32 N ATOM 1071 CA PHE A 64 11.067 -7.832 -3.293 1.00 45.51 C ATOM 1072 C PHE A 64 11.145 -9.198 -4.019 1.00 22.44 C ATOM 1073 O PHE A 64 11.694 -10.165 -3.472 1.00 22.40 O ATOM 1074 CB PHE A 64 9.962 -7.865 -2.193 1.00 52.14 C ATOM 1075 CG PHE A 64 10.135 -6.841 -1.064 1.00 33.15 C ATOM 1076 CD1 PHE A 64 10.023 -5.471 -1.300 1.00 45.02 C ATOM 1077 CD2 PHE A 64 10.402 -7.255 0.243 1.00 34.33 C ATOM 1078 CE1 PHE A 64 10.171 -4.557 -0.277 1.00 42.23 C ATOM 1079 CE2 PHE A 64 10.549 -6.339 1.265 1.00 24.40 C ATOM 1080 CZ PHE A 64 10.432 -4.989 1.006 1.00 42.41 C ATOM 0 H PHE A 64 9.961 -6.230 -4.126 1.00 23.32 H new ATOM 0 HA PHE A 64 12.026 -7.652 -2.807 1.00 45.51 H new ATOM 0 HB2 PHE A 64 8.995 -7.700 -2.667 1.00 52.14 H new ATOM 0 HB3 PHE A 64 9.936 -8.863 -1.756 1.00 52.14 H new ATOM 0 HD1 PHE A 64 9.817 -5.120 -2.300 1.00 45.02 H new ATOM 0 HD2 PHE A 64 10.495 -8.309 0.457 1.00 34.33 H new ATOM 0 HE1 PHE A 64 10.082 -3.500 -0.482 1.00 42.23 H new ATOM 0 HE2 PHE A 64 10.756 -6.680 2.269 1.00 24.40 H new ATOM 0 HZ PHE A 64 10.545 -4.272 1.806 1.00 42.41 H new ATOM 1090 N GLU A 65 10.577 -9.274 -5.235 1.00 5.32 N ATOM 1091 CA GLU A 65 10.778 -10.430 -6.122 1.00 52.35 C ATOM 1092 C GLU A 65 12.216 -10.371 -6.704 1.00 14.21 C ATOM 1093 O GLU A 65 13.054 -11.218 -6.389 1.00 30.44 O ATOM 1094 CB GLU A 65 9.715 -10.420 -7.264 1.00 13.42 C ATOM 1095 CG GLU A 65 9.665 -11.696 -8.123 1.00 74.11 C ATOM 1096 CD GLU A 65 9.225 -12.937 -7.325 1.00 33.23 C ATOM 1097 OE1 GLU A 65 8.001 -13.112 -7.109 1.00 4.43 O ATOM 1098 OE2 GLU A 65 10.092 -13.726 -6.887 1.00 63.43 O ATOM 0 H GLU A 65 9.976 -8.548 -5.625 1.00 5.32 H new ATOM 0 HA GLU A 65 10.657 -11.356 -5.560 1.00 52.35 H new ATOM 0 HB2 GLU A 65 8.732 -10.260 -6.822 1.00 13.42 H new ATOM 0 HB3 GLU A 65 9.914 -9.570 -7.916 1.00 13.42 H new ATOM 0 HG2 GLU A 65 8.977 -11.542 -8.954 1.00 74.11 H new ATOM 0 HG3 GLU A 65 10.650 -11.877 -8.554 1.00 74.11 H new ATOM 1105 N LYS A 66 12.485 -9.292 -7.477 1.00 0.41 N ATOM 1106 CA LYS A 66 13.800 -8.976 -8.110 1.00 43.10 C ATOM 1107 C LYS A 66 13.821 -7.471 -8.488 1.00 70.13 C ATOM 1108 O LYS A 66 12.955 -7.015 -9.247 1.00 22.05 O ATOM 1109 CB LYS A 66 14.070 -9.848 -9.395 1.00 25.04 C ATOM 1110 CG LYS A 66 14.501 -11.309 -9.116 1.00 2.32 C ATOM 1111 CD LYS A 66 14.671 -12.164 -10.386 1.00 3.51 C ATOM 1112 CE LYS A 66 15.052 -13.622 -10.056 1.00 64.14 C ATOM 1113 NZ LYS A 66 15.128 -14.460 -11.272 1.00 64.30 N ATOM 0 H LYS A 66 11.774 -8.592 -7.688 1.00 0.41 H new ATOM 0 HA LYS A 66 14.587 -9.208 -7.392 1.00 43.10 H new ATOM 0 HB2 LYS A 66 13.165 -9.862 -10.003 1.00 25.04 H new ATOM 0 HB3 LYS A 66 14.845 -9.363 -9.988 1.00 25.04 H new ATOM 0 HG2 LYS A 66 15.443 -11.301 -8.567 1.00 2.32 H new ATOM 0 HG3 LYS A 66 13.759 -11.779 -8.470 1.00 2.32 H new ATOM 0 HD2 LYS A 66 13.743 -12.153 -10.957 1.00 3.51 H new ATOM 0 HD3 LYS A 66 15.441 -11.723 -11.019 1.00 3.51 H new ATOM 0 HE2 LYS A 66 16.013 -13.639 -9.543 1.00 64.14 H new ATOM 0 HE3 LYS A 66 14.317 -14.043 -9.370 1.00 64.14 H new ATOM 0 HZ1 LYS A 66 15.387 -15.432 -11.008 1.00 64.30 H new ATOM 0 HZ2 LYS A 66 14.204 -14.465 -11.749 1.00 64.30 H new ATOM 0 HZ3 LYS A 66 15.847 -14.073 -11.916 1.00 64.30 H new ATOM 1127 N SER A 67 14.800 -6.705 -7.958 1.00 1.43 N ATOM 1128 CA SER A 67 14.941 -5.250 -8.247 1.00 72.13 C ATOM 1129 C SER A 67 15.210 -4.964 -9.742 1.00 2.21 C ATOM 1130 O SER A 67 16.243 -5.373 -10.287 1.00 25.04 O ATOM 1131 CB SER A 67 16.070 -4.614 -7.407 1.00 62.12 C ATOM 1132 OG SER A 67 15.751 -4.591 -6.035 1.00 65.12 O ATOM 0 H SER A 67 15.511 -7.068 -7.323 1.00 1.43 H new ATOM 0 HA SER A 67 13.985 -4.802 -7.976 1.00 72.13 H new ATOM 0 HB2 SER A 67 16.994 -5.173 -7.556 1.00 62.12 H new ATOM 0 HB3 SER A 67 16.253 -3.597 -7.755 1.00 62.12 H new ATOM 0 HG SER A 67 16.488 -4.183 -5.534 1.00 65.12 H new ATOM 1138 N LYS A 68 14.268 -4.262 -10.382 1.00 3.20 N ATOM 1139 CA LYS A 68 14.409 -3.783 -11.766 1.00 74.42 C ATOM 1140 C LYS A 68 15.318 -2.529 -11.787 1.00 31.23 C ATOM 1141 O LYS A 68 14.996 -1.523 -11.151 1.00 30.44 O ATOM 1142 CB LYS A 68 13.008 -3.475 -12.358 1.00 33.21 C ATOM 1143 CG LYS A 68 12.999 -3.178 -13.869 1.00 52.34 C ATOM 1144 CD LYS A 68 11.574 -2.955 -14.422 1.00 54.52 C ATOM 1145 CE LYS A 68 11.550 -2.871 -15.952 1.00 41.31 C ATOM 1146 NZ LYS A 68 12.048 -4.122 -16.582 1.00 70.50 N ATOM 0 H LYS A 68 13.379 -4.007 -9.953 1.00 3.20 H new ATOM 0 HA LYS A 68 14.874 -4.553 -12.382 1.00 74.42 H new ATOM 0 HB2 LYS A 68 12.352 -4.324 -12.164 1.00 33.21 H new ATOM 0 HB3 LYS A 68 12.586 -2.619 -11.831 1.00 33.21 H new ATOM 0 HG2 LYS A 68 13.604 -2.292 -14.065 1.00 52.34 H new ATOM 0 HG3 LYS A 68 13.466 -4.007 -14.401 1.00 52.34 H new ATOM 0 HD2 LYS A 68 10.928 -3.770 -14.095 1.00 54.52 H new ATOM 0 HD3 LYS A 68 11.164 -2.036 -14.003 1.00 54.52 H new ATOM 0 HE2 LYS A 68 10.532 -2.675 -16.289 1.00 41.31 H new ATOM 0 HE3 LYS A 68 12.162 -2.031 -16.279 1.00 41.31 H new ATOM 0 HZ1 LYS A 68 11.756 -4.148 -17.580 1.00 70.50 H new ATOM 0 HZ2 LYS A 68 13.086 -4.151 -16.524 1.00 70.50 H new ATOM 0 HZ3 LYS A 68 11.651 -4.944 -16.083 1.00 70.50 H new ATOM 1160 N CYS A 69 16.460 -2.614 -12.499 1.00 63.24 N ATOM 1161 CA CYS A 69 17.506 -1.559 -12.502 1.00 30.21 C ATOM 1162 C CYS A 69 17.138 -0.362 -13.422 1.00 61.44 C ATOM 1163 O CYS A 69 17.774 -0.143 -14.468 1.00 43.04 O ATOM 1164 CB CYS A 69 18.871 -2.172 -12.914 1.00 63.00 C ATOM 1165 SG CYS A 69 20.250 -1.000 -12.879 1.00 74.32 S ATOM 0 H CYS A 69 16.688 -3.414 -13.090 1.00 63.24 H new ATOM 0 HA CYS A 69 17.579 -1.163 -11.489 1.00 30.21 H new ATOM 0 HB2 CYS A 69 19.099 -3.004 -12.248 1.00 63.00 H new ATOM 0 HB3 CYS A 69 18.783 -2.583 -13.920 1.00 63.00 H new ATOM 0 HG CYS A 69 19.939 0.056 -13.570 1.00 74.32 H new ATOM 1171 N ARG A 70 16.072 0.375 -13.036 1.00 34.24 N ATOM 1172 CA ARG A 70 15.618 1.611 -13.712 1.00 0.14 C ATOM 1173 C ARG A 70 14.458 2.281 -12.917 1.00 4.04 C ATOM 1174 O ARG A 70 14.648 3.397 -12.374 1.00 38.15 O ATOM 1175 CB ARG A 70 15.182 1.359 -15.192 1.00 70.14 C ATOM 1176 CG ARG A 70 14.848 2.633 -16.029 1.00 73.44 C ATOM 1177 CD ARG A 70 16.035 3.629 -16.165 1.00 15.43 C ATOM 1178 NE ARG A 70 16.325 4.355 -14.905 1.00 62.13 N ATOM 1179 CZ ARG A 70 17.454 4.959 -14.603 1.00 73.02 C ATOM 1180 NH1 ARG A 70 18.448 5.001 -15.424 1.00 74.22 N ATOM 1181 NH2 ARG A 70 17.578 5.522 -13.453 1.00 23.30 N ATOM 1182 OXT ARG A 70 13.362 1.682 -12.835 1.00 38.15 O ATOM 0 H ARG A 70 15.494 0.124 -12.234 1.00 34.24 H new ATOM 0 HA ARG A 70 16.473 2.286 -13.736 1.00 0.14 H new ATOM 0 HB2 ARG A 70 15.979 0.814 -15.698 1.00 70.14 H new ATOM 0 HB3 ARG A 70 14.306 0.711 -15.187 1.00 70.14 H new ATOM 0 HG2 ARG A 70 14.528 2.327 -17.025 1.00 73.44 H new ATOM 0 HG3 ARG A 70 14.006 3.148 -15.567 1.00 73.44 H new ATOM 0 HD2 ARG A 70 16.926 3.084 -16.478 1.00 15.43 H new ATOM 0 HD3 ARG A 70 15.810 4.350 -16.951 1.00 15.43 H new ATOM 0 HE ARG A 70 15.581 4.389 -14.208 1.00 62.13 H new ATOM 0 HH11 ARG A 70 18.373 4.557 -16.339 1.00 74.22 H new ATOM 0 HH12 ARG A 70 19.309 5.478 -15.158 1.00 74.22 H new ATOM 0 HH21 ARG A 70 16.806 5.497 -12.787 1.00 23.30 H new ATOM 0 HH22 ARG A 70 18.448 5.993 -13.207 1.00 23.30 H new TER 1196 ARG A 70