USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1140 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 62 GLN : amide:sc= -1.8 K(o=-1.6,f=-2.1) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.23 K(o=-1.6,f=-2.1) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0937) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.29 (180deg=1.19) USER MOD Single : A 4 ASN : amide:sc= -3.65! C(o=-3.6!,f=-14!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 1.18 (180deg=1.07) USER MOD Single : A 13 LYS NZ :NH3+ -141:sc= 0.721 (180deg=0.0577) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.037 (180deg=-0.283) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.8) USER MOD Single : A 18 SER OG : rot -120:sc= -1.06 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.226 X(o=-0.23,f=0.024) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.038) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 42 SER OG : rot 140:sc= -0.854 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= 0.0329 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0046 X(o=-0.0046,f=-0.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -0.331 K(o=-0.33,f=-8.7!) USER MOD Single : B 71 ASN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.07) USER MOD Single : B 79 LYS NZ :NH3+ 172:sc= -0.0239 (180deg=-0.112) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 84 SER OG : rot 180:sc= 0.519 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 95 GLN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : B 96 THR OG1 : rot 180:sc= 0 USER MOD Single : B 98 ASN : amide:sc=-0.00291 X(o=-0.0029,f=-0.26) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.053) USER MOD Single : B 104 LYS NZ :NH3+ 168:sc= -0.0581 (180deg=-0.285) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.0963 X(o=-0.096,f=0) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot -170:sc= 1.15 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 121 THR OG1 : rot -140:sc= -0.0614 USER MOD Single : B 128 GLN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.567 -4.269 4.154 1.00 4.52 N ATOM 2 CA MET A 1 12.029 -5.309 5.020 1.00 15.43 C ATOM 3 C MET A 1 10.596 -4.969 5.336 1.00 54.41 C ATOM 4 O MET A 1 10.264 -3.791 5.498 1.00 33.23 O ATOM 5 CB MET A 1 12.844 -5.457 6.314 1.00 32.24 C ATOM 6 CG MET A 1 14.320 -5.759 6.086 1.00 0.23 C ATOM 7 SD MET A 1 14.605 -7.218 5.052 1.00 54.32 S ATOM 8 CE MET A 1 13.963 -8.530 6.094 1.00 74.51 C ATOM 0 H1 MET A 1 13.405 -4.631 3.656 1.00 4.52 H new ATOM 0 H2 MET A 1 11.846 -3.989 3.459 1.00 4.52 H new ATOM 0 H3 MET A 1 12.835 -3.444 4.728 1.00 4.52 H new ATOM 0 HA MET A 1 12.087 -6.266 4.501 1.00 15.43 H new ATOM 0 HB2 MET A 1 12.757 -4.538 6.893 1.00 32.24 H new ATOM 0 HB3 MET A 1 12.409 -6.255 6.916 1.00 32.24 H new ATOM 0 HG2 MET A 1 14.792 -4.894 5.619 1.00 0.23 H new ATOM 0 HG3 MET A 1 14.806 -5.906 7.050 1.00 0.23 H new ATOM 0 HE1 MET A 1 14.200 -9.497 5.650 1.00 74.51 H new ATOM 0 HE2 MET A 1 14.416 -8.464 7.083 1.00 74.51 H new ATOM 0 HE3 MET A 1 12.881 -8.428 6.183 1.00 74.51 H new ATOM 20 N ILE A 2 9.757 -5.971 5.411 1.00 22.43 N ATOM 21 CA ILE A 2 8.336 -5.774 5.662 1.00 32.41 C ATOM 22 C ILE A 2 7.915 -6.590 6.880 1.00 45.13 C ATOM 23 O ILE A 2 8.240 -7.768 6.987 1.00 32.11 O ATOM 24 CB ILE A 2 7.465 -6.188 4.419 1.00 73.54 C ATOM 25 CG1 ILE A 2 7.837 -5.360 3.165 1.00 72.41 C ATOM 26 CG2 ILE A 2 5.962 -6.071 4.713 1.00 51.03 C ATOM 27 CD1 ILE A 2 7.620 -3.859 3.305 1.00 54.01 C ATOM 0 H ILE A 2 10.030 -6.948 5.301 1.00 22.43 H new ATOM 0 HA ILE A 2 8.170 -4.713 5.848 1.00 32.41 H new ATOM 0 HB ILE A 2 7.686 -7.235 4.214 1.00 73.54 H new ATOM 0 HG12 ILE A 2 8.885 -5.541 2.925 1.00 72.41 H new ATOM 0 HG13 ILE A 2 7.250 -5.721 2.321 1.00 72.41 H new ATOM 0 HG21 ILE A 2 5.395 -6.366 3.830 1.00 51.03 H new ATOM 0 HG22 ILE A 2 5.702 -6.724 5.546 1.00 51.03 H new ATOM 0 HG23 ILE A 2 5.721 -5.040 4.972 1.00 51.03 H new ATOM 0 HD11 ILE A 2 7.907 -3.362 2.379 1.00 54.01 H new ATOM 0 HD12 ILE A 2 6.568 -3.661 3.512 1.00 54.01 H new ATOM 0 HD13 ILE A 2 8.229 -3.478 4.125 1.00 54.01 H new ATOM 39 N ILE A 3 7.199 -5.977 7.771 1.00 31.31 N ATOM 40 CA ILE A 3 6.726 -6.630 8.958 1.00 25.12 C ATOM 41 C ILE A 3 5.220 -6.668 8.840 1.00 13.31 C ATOM 42 O ILE A 3 4.563 -5.622 8.792 1.00 33.20 O ATOM 43 CB ILE A 3 7.158 -5.879 10.251 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.696 -5.762 10.304 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.627 -6.600 11.491 1.00 51.22 C ATOM 46 CD1 ILE A 3 9.228 -5.078 11.544 1.00 2.41 C ATOM 0 H ILE A 3 6.922 -4.998 7.696 1.00 31.31 H new ATOM 0 HA ILE A 3 7.153 -7.630 9.040 1.00 25.12 H new ATOM 0 HB ILE A 3 6.733 -4.875 10.235 1.00 23.21 H new ATOM 0 HG12 ILE A 3 9.127 -6.761 10.242 1.00 63.44 H new ATOM 0 HG13 ILE A 3 9.037 -5.213 9.426 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.938 -6.062 12.386 1.00 51.22 H new ATOM 0 HG22 ILE A 3 5.538 -6.639 11.451 1.00 51.22 H new ATOM 0 HG23 ILE A 3 7.025 -7.614 11.521 1.00 51.22 H new ATOM 0 HD11 ILE A 3 10.316 -5.039 11.499 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.830 -4.065 11.600 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.921 -5.637 12.428 1.00 2.41 H new ATOM 58 N ASN A 4 4.683 -7.840 8.741 1.00 20.22 N ATOM 59 CA ASN A 4 3.276 -8.031 8.462 1.00 24.23 C ATOM 60 C ASN A 4 2.520 -8.322 9.747 1.00 32.00 C ATOM 61 O ASN A 4 2.911 -9.207 10.523 1.00 60.31 O ATOM 62 CB ASN A 4 3.164 -9.226 7.484 1.00 41.35 C ATOM 63 CG ASN A 4 1.763 -9.549 6.993 1.00 44.33 C ATOM 64 OD1 ASN A 4 0.781 -9.317 7.659 1.00 51.44 O ATOM 65 ND2 ASN A 4 1.681 -10.100 5.818 1.00 33.01 N ATOM 0 H ASN A 4 5.205 -8.709 8.851 1.00 20.22 H new ATOM 0 HA ASN A 4 2.842 -7.133 8.022 1.00 24.23 H new ATOM 0 HB2 ASN A 4 3.794 -9.023 6.618 1.00 41.35 H new ATOM 0 HB3 ASN A 4 3.570 -10.111 7.973 1.00 41.35 H new ATOM 0 HD21 ASN A 4 0.769 -10.349 5.434 1.00 33.01 H new ATOM 0 HD22 ASN A 4 2.528 -10.283 5.280 1.00 33.01 H new ATOM 72 N ASN A 5 1.444 -7.595 9.967 1.00 65.43 N ATOM 73 CA ASN A 5 0.587 -7.809 11.119 1.00 54.20 C ATOM 74 C ASN A 5 -0.856 -7.853 10.664 1.00 74.31 C ATOM 75 O ASN A 5 -1.758 -7.554 11.429 1.00 70.34 O ATOM 76 CB ASN A 5 0.763 -6.722 12.207 1.00 72.22 C ATOM 77 CG ASN A 5 2.087 -6.795 12.956 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.226 -7.549 13.921 1.00 62.01 O ATOM 79 ND2 ASN A 5 3.033 -5.982 12.582 1.00 62.53 N ATOM 0 H ASN A 5 1.138 -6.839 9.354 1.00 65.43 H new ATOM 0 HA ASN A 5 0.875 -8.758 11.571 1.00 54.20 H new ATOM 0 HB2 ASN A 5 0.676 -5.740 11.741 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.053 -6.807 12.925 1.00 72.22 H new ATOM 0 HD21 ASN A 5 3.916 -5.958 13.092 1.00 62.53 H new ATOM 0 HD22 ASN A 5 2.891 -5.369 11.779 1.00 62.53 H new ATOM 86 N LEU A 6 -1.065 -8.304 9.417 1.00 31.42 N ATOM 87 CA LEU A 6 -2.397 -8.405 8.783 1.00 41.12 C ATOM 88 C LEU A 6 -3.346 -9.183 9.698 1.00 32.41 C ATOM 89 O LEU A 6 -4.483 -8.767 9.945 1.00 15.34 O ATOM 90 CB LEU A 6 -2.235 -9.115 7.394 1.00 22.14 C ATOM 91 CG LEU A 6 -3.418 -9.131 6.388 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.578 -10.008 6.833 1.00 11.20 C ATOM 93 CD2 LEU A 6 -3.888 -7.722 6.102 1.00 33.32 C ATOM 0 H LEU A 6 -0.306 -8.614 8.810 1.00 31.42 H new ATOM 0 HA LEU A 6 -2.823 -7.414 8.627 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -1.387 -8.652 6.890 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -1.962 -10.152 7.590 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.037 -9.577 5.470 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.369 -9.973 6.084 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.234 -11.036 6.949 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -4.964 -9.645 7.786 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -4.717 -7.751 5.395 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -4.218 -7.253 7.029 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -3.068 -7.145 5.675 1.00 33.32 H new ATOM 105 N LYS A 7 -2.855 -10.290 10.220 1.00 14.34 N ATOM 106 CA LYS A 7 -3.631 -11.118 11.122 1.00 42.10 C ATOM 107 C LYS A 7 -3.969 -10.385 12.431 1.00 53.11 C ATOM 108 O LYS A 7 -5.061 -10.523 12.935 1.00 74.22 O ATOM 109 CB LYS A 7 -2.952 -12.459 11.416 1.00 5.41 C ATOM 110 CG LYS A 7 -1.563 -12.346 12.022 1.00 35.52 C ATOM 111 CD LYS A 7 -1.130 -13.653 12.652 1.00 25.45 C ATOM 112 CE LYS A 7 -2.080 -14.039 13.783 1.00 12.21 C ATOM 113 NZ LYS A 7 -1.602 -15.202 14.547 1.00 61.12 N ATOM 0 H LYS A 7 -1.915 -10.639 10.033 1.00 14.34 H new ATOM 0 HA LYS A 7 -4.566 -11.330 10.603 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.585 -13.030 12.095 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -2.884 -13.028 10.489 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -0.849 -12.058 11.250 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.555 -11.557 12.774 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.114 -14.440 11.898 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.115 -13.560 13.037 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -2.202 -13.191 14.457 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -3.063 -14.260 13.368 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -2.281 -15.424 15.303 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -1.511 -16.021 13.912 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.676 -14.985 14.967 1.00 61.12 H new ATOM 127 N LEU A 8 -3.022 -9.605 12.959 1.00 3.54 N ATOM 128 CA LEU A 8 -3.207 -8.885 14.221 1.00 24.22 C ATOM 129 C LEU A 8 -4.363 -7.877 14.084 1.00 33.32 C ATOM 130 O LEU A 8 -5.170 -7.726 14.991 1.00 35.35 O ATOM 131 CB LEU A 8 -1.864 -8.204 14.638 1.00 15.15 C ATOM 132 CG LEU A 8 -1.732 -7.599 16.068 1.00 23.14 C ATOM 133 CD1 LEU A 8 -2.557 -6.334 16.260 1.00 50.24 C ATOM 134 CD2 LEU A 8 -2.089 -8.636 17.124 1.00 34.11 C ATOM 0 H LEU A 8 -2.110 -9.455 12.526 1.00 3.54 H new ATOM 0 HA LEU A 8 -3.480 -9.580 15.015 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.071 -8.942 14.519 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -1.665 -7.405 13.924 1.00 15.15 H new ATOM 0 HG LEU A 8 -0.688 -7.310 16.187 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -2.422 -5.962 17.276 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -2.230 -5.575 15.549 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -3.611 -6.558 16.093 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -1.991 -8.194 18.116 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -3.116 -8.968 16.975 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -1.416 -9.489 17.038 1.00 34.11 H new ATOM 146 N ILE A 9 -4.449 -7.220 12.937 1.00 72.34 N ATOM 147 CA ILE A 9 -5.559 -6.293 12.656 1.00 55.53 C ATOM 148 C ILE A 9 -6.892 -7.061 12.635 1.00 3.21 C ATOM 149 O ILE A 9 -7.935 -6.573 13.093 1.00 40.20 O ATOM 150 CB ILE A 9 -5.340 -5.412 11.360 1.00 33.31 C ATOM 151 CG1 ILE A 9 -4.303 -4.285 11.604 1.00 5.53 C ATOM 152 CG2 ILE A 9 -6.647 -4.784 10.881 1.00 15.31 C ATOM 153 CD1 ILE A 9 -2.905 -4.725 11.972 1.00 1.24 C ATOM 0 H ILE A 9 -3.770 -7.305 12.181 1.00 72.34 H new ATOM 0 HA ILE A 9 -5.591 -5.568 13.470 1.00 55.53 H new ATOM 0 HB ILE A 9 -4.962 -6.086 10.591 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.243 -3.675 10.702 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -4.679 -3.641 12.399 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -6.458 -4.186 9.989 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.364 -5.571 10.645 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.053 -4.146 11.666 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -2.274 -3.848 12.117 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -2.937 -5.305 12.894 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -2.494 -5.339 11.171 1.00 1.24 H new ATOM 165 N ARG A 10 -6.837 -8.261 12.122 1.00 23.44 N ATOM 166 CA ARG A 10 -7.976 -9.156 12.128 1.00 2.23 C ATOM 167 C ARG A 10 -8.351 -9.572 13.534 1.00 61.23 C ATOM 168 O ARG A 10 -9.506 -9.833 13.794 1.00 0.10 O ATOM 169 CB ARG A 10 -7.747 -10.348 11.239 1.00 24.15 C ATOM 170 CG ARG A 10 -7.884 -10.021 9.780 1.00 71.12 C ATOM 171 CD ARG A 10 -7.383 -11.147 8.928 1.00 32.20 C ATOM 172 NE ARG A 10 -7.963 -12.445 9.280 1.00 64.13 N ATOM 173 CZ ARG A 10 -7.667 -13.559 8.632 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.209 -13.491 7.388 1.00 64.25 N ATOM 175 NH2 ARG A 10 -7.895 -14.733 9.179 1.00 51.23 N ATOM 0 H ARG A 10 -6.002 -8.652 11.686 1.00 23.44 H new ATOM 0 HA ARG A 10 -8.823 -8.605 11.719 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -6.750 -10.748 11.425 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.459 -11.132 11.499 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -8.929 -9.820 9.545 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.326 -9.113 9.553 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.605 -10.929 7.883 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.298 -11.206 9.017 1.00 32.20 H new ATOM 0 HE ARG A 10 -8.622 -12.492 10.057 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.087 -12.584 6.938 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -6.979 -14.346 6.882 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -8.304 -14.790 10.112 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -7.663 -15.586 8.671 1.00 51.23 H new ATOM 189 N GLU A 11 -7.359 -9.693 14.409 1.00 3.43 N ATOM 190 CA GLU A 11 -7.573 -9.951 15.829 1.00 32.25 C ATOM 191 C GLU A 11 -8.182 -8.711 16.525 1.00 23.22 C ATOM 192 O GLU A 11 -8.873 -8.827 17.547 1.00 24.24 O ATOM 193 CB GLU A 11 -6.274 -10.420 16.495 1.00 73.21 C ATOM 194 CG GLU A 11 -5.709 -11.671 15.838 1.00 31.54 C ATOM 195 CD GLU A 11 -4.470 -12.217 16.516 1.00 75.21 C ATOM 196 OE1 GLU A 11 -4.602 -12.975 17.508 1.00 52.20 O ATOM 197 OE2 GLU A 11 -3.350 -11.942 16.049 1.00 73.43 O ATOM 0 H GLU A 11 -6.375 -9.614 14.151 1.00 3.43 H new ATOM 0 HA GLU A 11 -8.295 -10.760 15.936 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -5.534 -9.621 16.447 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -6.460 -10.619 17.550 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -6.477 -12.444 15.831 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -5.473 -11.447 14.798 1.00 31.54 H new ATOM 204 N LYS A 12 -7.800 -7.520 16.040 1.00 12.34 N ATOM 205 CA LYS A 12 -8.428 -6.243 16.449 1.00 0.30 C ATOM 206 C LYS A 12 -9.948 -6.245 16.135 1.00 41.03 C ATOM 207 O LYS A 12 -10.756 -5.657 16.875 1.00 70.21 O ATOM 208 CB LYS A 12 -7.695 -5.051 15.802 1.00 31.15 C ATOM 209 CG LYS A 12 -6.247 -4.951 16.270 1.00 63.14 C ATOM 210 CD LYS A 12 -5.413 -3.902 15.530 1.00 63.03 C ATOM 211 CE LYS A 12 -5.963 -2.498 15.657 1.00 13.30 C ATOM 212 NZ LYS A 12 -4.969 -1.502 15.212 1.00 22.43 N ATOM 0 H LYS A 12 -7.051 -7.409 15.356 1.00 12.34 H new ATOM 0 HA LYS A 12 -8.332 -6.134 17.529 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.719 -5.155 14.717 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -8.220 -4.127 16.045 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -6.238 -4.719 17.335 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -5.772 -5.925 16.151 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -4.394 -3.921 15.915 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -5.360 -4.169 14.475 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -6.871 -2.403 15.061 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -6.240 -2.304 16.693 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -5.459 -0.650 14.872 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -4.350 -1.250 16.008 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -4.397 -1.903 14.442 1.00 22.43 H new ATOM 226 N LYS A 13 -10.324 -6.901 15.058 1.00 11.23 N ATOM 227 CA LYS A 13 -11.731 -7.199 14.780 1.00 71.54 C ATOM 228 C LYS A 13 -11.887 -8.665 15.166 1.00 62.41 C ATOM 229 O LYS A 13 -11.111 -9.144 15.971 1.00 22.21 O ATOM 230 CB LYS A 13 -12.057 -7.013 13.278 1.00 24.24 C ATOM 231 CG LYS A 13 -11.773 -5.622 12.712 1.00 24.13 C ATOM 232 CD LYS A 13 -12.416 -4.525 13.549 1.00 4.22 C ATOM 233 CE LYS A 13 -12.262 -3.157 12.903 1.00 44.25 C ATOM 234 NZ LYS A 13 -13.185 -2.969 11.761 1.00 54.41 N ATOM 0 H LYS A 13 -9.676 -7.245 14.349 1.00 11.23 H new ATOM 0 HA LYS A 13 -12.403 -6.537 15.327 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -11.484 -7.743 12.706 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.111 -7.242 13.122 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -10.696 -5.461 12.669 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.145 -5.563 11.689 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -13.475 -4.745 13.685 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -11.963 -4.512 14.540 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -12.446 -2.383 13.648 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.234 -3.032 12.561 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -12.697 -2.453 11.002 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -13.492 -3.897 11.407 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -14.015 -2.425 12.071 1.00 54.41 H new ATOM 248 N LYS A 14 -12.873 -9.380 14.708 1.00 71.43 N ATOM 249 CA LYS A 14 -12.825 -10.822 14.867 1.00 32.42 C ATOM 250 C LYS A 14 -13.294 -11.493 13.592 1.00 13.24 C ATOM 251 O LYS A 14 -14.405 -12.034 13.498 1.00 5.54 O ATOM 252 CB LYS A 14 -13.576 -11.311 16.129 1.00 73.24 C ATOM 253 CG LYS A 14 -14.941 -10.682 16.347 1.00 40.21 C ATOM 254 CD LYS A 14 -15.579 -11.175 17.630 1.00 43.22 C ATOM 255 CE LYS A 14 -16.858 -10.412 17.942 1.00 70.42 C ATOM 256 NZ LYS A 14 -16.605 -8.972 18.222 1.00 23.43 N ATOM 0 H LYS A 14 -13.699 -9.013 14.235 1.00 71.43 H new ATOM 0 HA LYS A 14 -11.789 -11.116 15.037 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -13.697 -12.392 16.065 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -12.956 -11.110 17.003 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -14.842 -9.597 16.382 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -15.590 -10.916 15.503 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -15.800 -12.239 17.543 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -14.876 -11.062 18.455 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -17.545 -10.501 17.101 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -17.348 -10.866 18.803 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -17.432 -8.561 18.701 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -15.769 -8.879 18.833 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -16.438 -8.469 17.327 1.00 23.43 H new ATOM 270 N ILE A 15 -12.468 -11.385 12.587 1.00 13.13 N ATOM 271 CA ILE A 15 -12.782 -11.881 11.266 1.00 43.54 C ATOM 272 C ILE A 15 -11.721 -12.879 10.820 1.00 51.30 C ATOM 273 O ILE A 15 -10.515 -12.598 10.901 1.00 65.41 O ATOM 274 CB ILE A 15 -12.880 -10.705 10.245 1.00 70.43 C ATOM 275 CG1 ILE A 15 -13.968 -9.710 10.686 1.00 24.32 C ATOM 276 CG2 ILE A 15 -13.174 -11.222 8.841 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.103 -8.496 9.793 1.00 1.24 C ATOM 0 H ILE A 15 -11.549 -10.947 12.658 1.00 13.13 H new ATOM 0 HA ILE A 15 -13.749 -12.383 11.304 1.00 43.54 H new ATOM 0 HB ILE A 15 -11.918 -10.192 10.222 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -14.926 -10.229 10.720 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -13.749 -9.377 11.701 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -13.237 -10.382 8.150 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -12.375 -11.892 8.525 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -14.121 -11.762 8.843 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -14.891 -7.848 10.176 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.160 -7.949 9.777 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -14.355 -8.815 8.781 1.00 1.24 H new ATOM 289 N SER A 16 -12.171 -14.017 10.345 1.00 2.42 N ATOM 290 CA SER A 16 -11.303 -15.072 9.919 1.00 41.31 C ATOM 291 C SER A 16 -11.213 -15.095 8.372 1.00 13.21 C ATOM 292 O SER A 16 -11.798 -14.227 7.690 1.00 35.13 O ATOM 293 CB SER A 16 -11.813 -16.397 10.480 1.00 43.33 C ATOM 294 OG SER A 16 -11.961 -16.323 11.901 1.00 71.34 O ATOM 0 H SER A 16 -13.163 -14.232 10.245 1.00 2.42 H new ATOM 0 HA SER A 16 -10.295 -14.906 10.299 1.00 41.31 H new ATOM 0 HB2 SER A 16 -12.770 -16.646 10.023 1.00 43.33 H new ATOM 0 HB3 SER A 16 -11.119 -17.197 10.223 1.00 43.33 H new ATOM 0 HG SER A 16 -12.290 -17.181 12.241 1.00 71.34 H new ATOM 300 N GLN A 17 -10.509 -16.083 7.827 1.00 45.12 N ATOM 301 CA GLN A 17 -10.218 -16.137 6.396 1.00 65.34 C ATOM 302 C GLN A 17 -11.431 -16.280 5.480 1.00 13.44 C ATOM 303 O GLN A 17 -11.468 -15.636 4.444 1.00 12.11 O ATOM 304 CB GLN A 17 -9.132 -17.164 6.052 1.00 30.22 C ATOM 305 CG GLN A 17 -9.386 -18.562 6.573 1.00 4.43 C ATOM 306 CD GLN A 17 -8.298 -19.529 6.172 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.393 -20.198 5.157 1.00 72.33 O ATOM 308 NE2 GLN A 17 -7.231 -19.557 6.921 1.00 45.23 N ATOM 0 H GLN A 17 -10.126 -16.864 8.360 1.00 45.12 H new ATOM 0 HA GLN A 17 -9.827 -15.142 6.184 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -9.027 -17.210 4.968 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.180 -16.811 6.450 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.462 -18.534 7.660 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.344 -18.920 6.196 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.184 -18.984 7.764 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -6.443 -20.151 6.664 1.00 45.23 H new ATOM 317 N SER A 18 -12.423 -17.089 5.845 1.00 55.44 N ATOM 318 CA SER A 18 -13.573 -17.304 4.962 1.00 52.11 C ATOM 319 C SER A 18 -14.379 -16.025 4.803 1.00 62.21 C ATOM 320 O SER A 18 -14.795 -15.679 3.690 1.00 10.02 O ATOM 321 CB SER A 18 -14.464 -18.414 5.508 1.00 45.03 C ATOM 322 OG SER A 18 -13.690 -19.565 5.825 1.00 21.34 O ATOM 0 H SER A 18 -12.458 -17.599 6.728 1.00 55.44 H new ATOM 0 HA SER A 18 -13.196 -17.601 3.984 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.987 -18.064 6.398 1.00 45.03 H new ATOM 0 HB3 SER A 18 -15.225 -18.672 4.772 1.00 45.03 H new ATOM 0 HG SER A 18 -14.005 -20.327 5.295 1.00 21.34 H new ATOM 328 N GLU A 19 -14.574 -15.317 5.914 1.00 50.43 N ATOM 329 CA GLU A 19 -15.305 -14.069 5.906 1.00 3.23 C ATOM 330 C GLU A 19 -14.633 -13.066 4.985 1.00 41.23 C ATOM 331 O GLU A 19 -15.296 -12.399 4.191 1.00 11.14 O ATOM 332 CB GLU A 19 -15.468 -13.466 7.316 1.00 33.34 C ATOM 333 CG GLU A 19 -16.112 -14.379 8.362 1.00 42.23 C ATOM 334 CD GLU A 19 -15.136 -15.332 9.021 1.00 44.10 C ATOM 335 OE1 GLU A 19 -14.781 -16.377 8.429 1.00 70.32 O ATOM 336 OE2 GLU A 19 -14.703 -15.049 10.148 1.00 64.25 O ATOM 0 H GLU A 19 -14.230 -15.596 6.833 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.305 -14.293 5.534 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -14.484 -13.167 7.679 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.067 -12.559 7.235 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -16.580 -13.763 9.130 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -16.906 -14.956 7.888 1.00 42.23 H new ATOM 343 N LEU A 20 -13.311 -12.989 5.067 1.00 73.22 N ATOM 344 CA LEU A 20 -12.573 -12.096 4.205 1.00 10.22 C ATOM 345 C LEU A 20 -12.568 -12.573 2.774 1.00 65.33 C ATOM 346 O LEU A 20 -12.680 -11.776 1.880 1.00 30.50 O ATOM 347 CB LEU A 20 -11.152 -11.835 4.692 1.00 32.54 C ATOM 348 CG LEU A 20 -11.021 -10.960 5.933 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.566 -10.763 6.272 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.697 -9.610 5.713 1.00 23.21 C ATOM 0 H LEU A 20 -12.740 -13.530 5.716 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.102 -11.144 4.245 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.677 -12.795 4.897 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.591 -11.368 3.882 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.516 -11.461 6.765 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.481 -10.137 7.160 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.103 -11.731 6.465 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -9.060 -10.279 5.437 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.592 -9.000 6.610 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -11.227 -9.101 4.871 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.755 -9.763 5.500 1.00 23.21 H new ATOM 362 N ALA A 21 -12.479 -13.873 2.568 1.00 4.44 N ATOM 363 CA ALA A 21 -12.476 -14.434 1.225 1.00 14.42 C ATOM 364 C ALA A 21 -13.747 -14.042 0.486 1.00 35.03 C ATOM 365 O ALA A 21 -13.691 -13.520 -0.625 1.00 72.55 O ATOM 366 CB ALA A 21 -12.328 -15.947 1.274 1.00 1.41 C ATOM 0 H ALA A 21 -12.407 -14.565 3.314 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.622 -14.028 0.683 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -12.328 -16.346 0.260 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -11.390 -16.205 1.765 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -13.160 -16.376 1.833 1.00 1.41 H new ATOM 372 N ALA A 22 -14.878 -14.239 1.129 1.00 4.14 N ATOM 373 CA ALA A 22 -16.158 -13.885 0.555 1.00 53.23 C ATOM 374 C ALA A 22 -16.309 -12.364 0.384 1.00 34.22 C ATOM 375 O ALA A 22 -16.798 -11.894 -0.647 1.00 30.41 O ATOM 376 CB ALA A 22 -17.279 -14.432 1.423 1.00 24.13 C ATOM 0 H ALA A 22 -14.936 -14.648 2.062 1.00 4.14 H new ATOM 0 HA ALA A 22 -16.215 -14.331 -0.438 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -18.241 -14.163 0.987 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -17.198 -15.517 1.481 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -17.203 -14.008 2.424 1.00 24.13 H new ATOM 382 N LEU A 23 -15.889 -11.613 1.387 1.00 71.12 N ATOM 383 CA LEU A 23 -16.028 -10.158 1.391 1.00 42.20 C ATOM 384 C LEU A 23 -15.105 -9.491 0.362 1.00 63.22 C ATOM 385 O LEU A 23 -15.492 -8.522 -0.308 1.00 30.24 O ATOM 386 CB LEU A 23 -15.742 -9.625 2.802 1.00 60.54 C ATOM 387 CG LEU A 23 -15.956 -8.133 3.044 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.407 -7.747 2.793 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.549 -7.778 4.463 1.00 50.33 C ATOM 0 H LEU A 23 -15.442 -11.989 2.223 1.00 71.12 H new ATOM 0 HA LEU A 23 -17.051 -9.910 1.106 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.370 -10.174 3.504 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.707 -9.862 3.048 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.334 -7.573 2.346 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.536 -6.679 2.972 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.671 -7.977 1.761 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -18.055 -8.308 3.467 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.704 -6.712 4.630 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.154 -8.348 5.168 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.496 -8.019 4.611 1.00 50.33 H new ATOM 401 N LEU A 24 -13.901 -10.014 0.229 1.00 61.11 N ATOM 402 CA LEU A 24 -12.917 -9.470 -0.695 1.00 33.50 C ATOM 403 C LEU A 24 -13.064 -10.102 -2.082 1.00 13.04 C ATOM 404 O LEU A 24 -12.328 -9.748 -3.007 1.00 54.12 O ATOM 405 CB LEU A 24 -11.488 -9.729 -0.185 1.00 1.13 C ATOM 406 CG LEU A 24 -11.157 -9.291 1.250 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.721 -9.637 1.584 1.00 24.05 C ATOM 408 CD2 LEU A 24 -11.415 -7.814 1.465 1.00 43.42 C ATOM 0 H LEU A 24 -13.576 -10.825 0.755 1.00 61.11 H new ATOM 0 HA LEU A 24 -13.093 -8.396 -0.763 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -11.291 -10.798 -0.264 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.794 -9.226 -0.859 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.820 -9.835 1.923 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.498 -9.322 2.603 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.577 -10.714 1.498 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -9.053 -9.125 0.892 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -11.168 -7.547 2.493 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.797 -7.233 0.781 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -12.467 -7.597 1.277 1.00 43.42 H new ATOM 420 N GLU A 25 -14.006 -11.050 -2.206 1.00 45.33 N ATOM 421 CA GLU A 25 -14.277 -11.772 -3.461 1.00 22.43 C ATOM 422 C GLU A 25 -13.040 -12.548 -3.932 1.00 63.31 C ATOM 423 O GLU A 25 -12.782 -12.670 -5.146 1.00 72.53 O ATOM 424 CB GLU A 25 -14.765 -10.815 -4.566 1.00 34.10 C ATOM 425 CG GLU A 25 -16.105 -10.158 -4.288 1.00 74.02 C ATOM 426 CD GLU A 25 -16.557 -9.290 -5.433 1.00 63.23 C ATOM 427 OE1 GLU A 25 -17.001 -9.834 -6.478 1.00 73.13 O ATOM 428 OE2 GLU A 25 -16.501 -8.054 -5.327 1.00 54.24 O ATOM 0 H GLU A 25 -14.606 -11.340 -1.433 1.00 45.33 H new ATOM 0 HA GLU A 25 -15.073 -12.488 -3.258 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -14.016 -10.036 -4.710 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.834 -11.368 -5.503 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.854 -10.927 -4.099 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -16.032 -9.555 -3.383 1.00 74.02 H new ATOM 435 N VAL A 26 -12.324 -13.134 -2.992 1.00 33.53 N ATOM 436 CA VAL A 26 -11.095 -13.863 -3.272 1.00 2.41 C ATOM 437 C VAL A 26 -11.149 -15.252 -2.645 1.00 32.32 C ATOM 438 O VAL A 26 -12.164 -15.639 -2.066 1.00 23.34 O ATOM 439 CB VAL A 26 -9.828 -13.113 -2.758 1.00 63.23 C ATOM 440 CG1 VAL A 26 -9.663 -11.782 -3.465 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.869 -12.919 -1.241 1.00 4.10 C ATOM 0 H VAL A 26 -12.578 -13.119 -2.004 1.00 33.53 H new ATOM 0 HA VAL A 26 -11.017 -13.945 -4.356 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.962 -13.734 -2.990 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.773 -11.278 -3.089 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -9.560 -11.950 -4.537 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -10.538 -11.160 -3.278 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.971 -12.393 -0.917 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.749 -12.334 -0.973 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.917 -13.891 -0.751 1.00 4.10 H new ATOM 451 N SER A 27 -10.097 -16.007 -2.801 1.00 35.42 N ATOM 452 CA SER A 27 -10.027 -17.318 -2.215 1.00 0.14 C ATOM 453 C SER A 27 -9.282 -17.334 -0.861 1.00 54.44 C ATOM 454 O SER A 27 -8.472 -16.437 -0.552 1.00 24.14 O ATOM 455 CB SER A 27 -9.406 -18.274 -3.213 1.00 23.34 C ATOM 456 OG SER A 27 -10.159 -18.269 -4.426 1.00 1.11 O ATOM 0 H SER A 27 -9.270 -15.735 -3.333 1.00 35.42 H new ATOM 0 HA SER A 27 -11.042 -17.644 -1.986 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.375 -17.984 -3.414 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.378 -19.281 -2.796 1.00 23.34 H new ATOM 0 HG SER A 27 -9.751 -18.888 -5.067 1.00 1.11 H new ATOM 462 N ARG A 28 -9.593 -18.341 -0.048 1.00 33.45 N ATOM 463 CA ARG A 28 -8.981 -18.536 1.266 1.00 2.32 C ATOM 464 C ARG A 28 -7.478 -18.752 1.202 1.00 72.10 C ATOM 465 O ARG A 28 -6.749 -18.328 2.109 1.00 61.25 O ATOM 466 CB ARG A 28 -9.648 -19.670 2.053 1.00 73.14 C ATOM 467 CG ARG A 28 -10.981 -19.297 2.669 1.00 54.32 C ATOM 468 CD ARG A 28 -11.576 -20.444 3.480 1.00 53.33 C ATOM 469 NE ARG A 28 -12.078 -21.549 2.647 1.00 21.14 N ATOM 470 CZ ARG A 28 -12.849 -22.549 3.097 1.00 13.43 C ATOM 471 NH1 ARG A 28 -12.982 -22.756 4.403 1.00 20.31 N ATOM 472 NH2 ARG A 28 -13.452 -23.369 2.239 1.00 44.34 N ATOM 0 H ARG A 28 -10.284 -19.053 -0.285 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.150 -17.601 1.800 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.793 -20.522 1.389 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -8.972 -19.994 2.845 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -10.852 -18.427 3.312 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.677 -19.011 1.881 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -10.818 -20.828 4.162 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -12.392 -20.061 4.093 1.00 53.33 H new ATOM 0 HE ARG A 28 -11.822 -21.554 1.660 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -12.496 -22.153 5.067 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -13.570 -23.518 4.741 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -13.328 -23.238 1.235 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -14.038 -24.129 2.585 1.00 44.34 H new ATOM 486 N GLN A 29 -7.006 -19.399 0.156 1.00 63.51 N ATOM 487 CA GLN A 29 -5.580 -19.638 0.001 1.00 73.10 C ATOM 488 C GLN A 29 -4.876 -18.304 -0.261 1.00 21.43 C ATOM 489 O GLN A 29 -3.759 -18.063 0.231 1.00 63.01 O ATOM 490 CB GLN A 29 -5.341 -20.676 -1.131 1.00 14.11 C ATOM 491 CG GLN A 29 -3.915 -21.246 -1.260 1.00 34.33 C ATOM 492 CD GLN A 29 -2.905 -20.312 -1.907 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.245 -19.490 -2.748 1.00 35.21 O ATOM 494 NE2 GLN A 29 -1.663 -20.447 -1.530 1.00 24.53 N ATOM 0 H GLN A 29 -7.584 -19.769 -0.599 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.158 -20.061 0.913 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.027 -21.509 -0.979 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -5.609 -20.212 -2.080 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.556 -21.513 -0.266 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -3.959 -22.167 -1.841 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.416 -21.143 -0.826 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -0.939 -19.857 -1.939 1.00 24.53 H new ATOM 503 N THR A 30 -5.567 -17.427 -0.971 1.00 21.22 N ATOM 504 CA THR A 30 -5.064 -16.129 -1.329 1.00 0.23 C ATOM 505 C THR A 30 -4.898 -15.247 -0.080 1.00 24.14 C ATOM 506 O THR A 30 -3.813 -14.720 0.175 1.00 5.35 O ATOM 507 CB THR A 30 -6.085 -15.465 -2.255 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.544 -16.442 -3.202 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.474 -14.272 -2.988 1.00 50.43 C ATOM 0 H THR A 30 -6.509 -17.609 -1.316 1.00 21.22 H new ATOM 0 HA THR A 30 -4.095 -16.240 -1.815 1.00 0.23 H new ATOM 0 HB THR A 30 -6.919 -15.093 -1.659 1.00 71.41 H new ATOM 0 HG1 THR A 30 -7.201 -16.032 -3.802 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.224 -13.821 -3.638 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.133 -13.534 -2.262 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.628 -14.608 -3.588 1.00 50.43 H new ATOM 517 N ILE A 31 -5.968 -15.133 0.721 1.00 3.24 N ATOM 518 CA ILE A 31 -5.932 -14.307 1.927 1.00 15.23 C ATOM 519 C ILE A 31 -4.908 -14.829 2.945 1.00 54.43 C ATOM 520 O ILE A 31 -4.132 -14.048 3.501 1.00 12.25 O ATOM 521 CB ILE A 31 -7.359 -14.100 2.572 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.297 -13.232 3.840 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.061 -15.414 2.861 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.799 -11.822 3.600 1.00 15.23 C ATOM 0 H ILE A 31 -6.859 -15.600 0.554 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.598 -13.318 1.612 1.00 15.23 H new ATOM 0 HB ILE A 31 -7.950 -13.568 1.826 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.292 -13.184 4.284 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.646 -13.717 4.568 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.037 -15.215 3.303 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.190 -15.970 1.932 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.461 -16.002 3.555 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.785 -11.276 4.543 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.791 -11.858 3.186 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.462 -11.317 2.898 1.00 15.23 H new ATOM 536 N ASN A 32 -4.875 -16.144 3.128 1.00 30.33 N ATOM 537 CA ASN A 32 -3.913 -16.779 4.041 1.00 60.42 C ATOM 538 C ASN A 32 -2.493 -16.517 3.565 1.00 3.24 C ATOM 539 O ASN A 32 -1.576 -16.286 4.363 1.00 13.11 O ATOM 540 CB ASN A 32 -4.168 -18.284 4.146 1.00 64.50 C ATOM 541 CG ASN A 32 -3.236 -18.991 5.123 1.00 24.43 C ATOM 542 OD1 ASN A 32 -3.524 -19.078 6.314 1.00 33.15 O ATOM 543 ND2 ASN A 32 -2.148 -19.537 4.634 1.00 74.02 N ATOM 0 H ASN A 32 -5.502 -16.798 2.659 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.043 -16.344 5.032 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.200 -18.449 4.456 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.056 -18.733 3.159 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -1.515 -20.050 5.247 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -1.935 -19.448 3.640 1.00 74.02 H new ATOM 550 N GLY A 33 -2.321 -16.532 2.256 1.00 32.15 N ATOM 551 CA GLY A 33 -1.045 -16.257 1.667 1.00 62.40 C ATOM 552 C GLY A 33 -0.585 -14.840 1.951 1.00 51.22 C ATOM 553 O GLY A 33 0.624 -14.587 2.106 1.00 73.51 O ATOM 0 H GLY A 33 -3.062 -16.735 1.585 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.308 -16.962 2.052 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.102 -16.411 0.589 1.00 62.40 H new ATOM 557 N ILE A 34 -1.531 -13.911 1.996 1.00 55.13 N ATOM 558 CA ILE A 34 -1.244 -12.525 2.332 1.00 14.23 C ATOM 559 C ILE A 34 -0.896 -12.418 3.822 1.00 12.31 C ATOM 560 O ILE A 34 0.065 -11.737 4.191 1.00 62.21 O ATOM 561 CB ILE A 34 -2.455 -11.587 2.001 1.00 13.40 C ATOM 562 CG1 ILE A 34 -2.847 -11.684 0.511 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.164 -10.132 2.386 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.739 -11.322 -0.464 1.00 51.13 C ATOM 0 H ILE A 34 -2.515 -14.097 1.801 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.396 -12.201 1.728 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.299 -11.930 2.600 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.177 -12.701 0.302 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.699 -11.029 0.331 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.026 -9.512 2.142 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -1.965 -10.072 3.456 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.294 -9.777 1.834 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.107 -11.419 -1.485 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.422 -10.294 -0.289 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -0.892 -11.993 -0.318 1.00 51.13 H new ATOM 576 N GLU A 35 -1.662 -13.121 4.663 1.00 42.35 N ATOM 577 CA GLU A 35 -1.437 -13.140 6.125 1.00 14.13 C ATOM 578 C GLU A 35 -0.050 -13.631 6.468 1.00 62.12 C ATOM 579 O GLU A 35 0.583 -13.140 7.404 1.00 33.44 O ATOM 580 CB GLU A 35 -2.380 -14.126 6.789 1.00 72.22 C ATOM 581 CG GLU A 35 -3.844 -13.853 6.654 1.00 22.14 C ATOM 582 CD GLU A 35 -4.641 -14.974 7.258 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.360 -15.361 8.395 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.601 -15.467 6.620 1.00 14.03 O ATOM 0 H GLU A 35 -2.451 -13.691 4.359 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.591 -12.117 6.469 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.180 -15.116 6.380 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.138 -14.165 7.851 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.093 -12.914 7.148 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.104 -13.739 5.602 1.00 22.14 H new ATOM 591 N LYS A 36 0.426 -14.584 5.714 1.00 72.42 N ATOM 592 CA LYS A 36 1.710 -15.168 5.991 1.00 3.42 C ATOM 593 C LYS A 36 2.789 -14.534 5.145 1.00 64.33 C ATOM 594 O LYS A 36 3.920 -15.009 5.141 1.00 74.05 O ATOM 595 CB LYS A 36 1.683 -16.692 5.762 1.00 71.34 C ATOM 596 CG LYS A 36 0.586 -17.438 6.534 1.00 73.40 C ATOM 597 CD LYS A 36 0.619 -17.152 8.037 1.00 3.32 C ATOM 598 CE LYS A 36 1.929 -17.572 8.681 1.00 11.20 C ATOM 599 NZ LYS A 36 1.936 -17.279 10.129 1.00 30.21 N ATOM 0 H LYS A 36 -0.056 -14.973 4.903 1.00 72.42 H new ATOM 0 HA LYS A 36 1.939 -14.979 7.040 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.553 -16.883 4.697 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.651 -17.105 6.044 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.388 -17.155 6.136 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.698 -18.510 6.370 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.461 -16.087 8.204 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.205 -17.676 8.521 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.088 -18.639 8.523 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.757 -17.052 8.199 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 2.844 -17.577 10.539 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 1.808 -16.258 10.277 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.161 -17.795 10.591 1.00 30.21 H new ATOM 613 N ASN A 37 2.422 -13.443 4.429 1.00 21.34 N ATOM 614 CA ASN A 37 3.320 -12.691 3.504 1.00 41.10 C ATOM 615 C ASN A 37 4.113 -13.633 2.605 1.00 30.41 C ATOM 616 O ASN A 37 5.263 -13.376 2.254 1.00 2.25 O ATOM 617 CB ASN A 37 4.234 -11.644 4.239 1.00 42.23 C ATOM 618 CG ASN A 37 5.188 -12.200 5.305 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.828 -12.310 6.487 1.00 64.43 O ATOM 620 ND2 ASN A 37 6.398 -12.507 4.915 1.00 15.22 N ATOM 0 H ASN A 37 1.481 -13.051 4.475 1.00 21.34 H new ATOM 0 HA ASN A 37 2.671 -12.099 2.858 1.00 41.10 H new ATOM 0 HB2 ASN A 37 4.827 -11.122 3.488 1.00 42.23 H new ATOM 0 HB3 ASN A 37 3.591 -10.901 4.710 1.00 42.23 H new ATOM 0 HD21 ASN A 37 7.080 -12.849 5.591 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.659 -12.404 3.934 1.00 15.22 H new ATOM 627 N LYS A 38 3.433 -14.684 2.181 1.00 23.05 N ATOM 628 CA LYS A 38 4.014 -15.762 1.420 1.00 71.21 C ATOM 629 C LYS A 38 3.576 -15.666 -0.038 1.00 63.12 C ATOM 630 O LYS A 38 4.298 -16.061 -0.950 1.00 54.40 O ATOM 631 CB LYS A 38 3.498 -17.086 2.012 1.00 54.41 C ATOM 632 CG LYS A 38 4.098 -18.344 1.409 1.00 51.33 C ATOM 633 CD LYS A 38 3.345 -19.601 1.851 1.00 14.11 C ATOM 634 CE LYS A 38 1.909 -19.621 1.311 1.00 53.22 C ATOM 635 NZ LYS A 38 1.208 -20.882 1.635 1.00 30.43 N ATOM 0 H LYS A 38 2.437 -14.809 2.364 1.00 23.05 H new ATOM 0 HA LYS A 38 5.102 -15.710 1.466 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.695 -17.087 3.084 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.416 -17.123 1.887 1.00 54.41 H new ATOM 0 HG2 LYS A 38 4.077 -18.271 0.322 1.00 51.33 H new ATOM 0 HG3 LYS A 38 5.144 -18.425 1.703 1.00 51.33 H new ATOM 0 HD2 LYS A 38 3.877 -20.486 1.502 1.00 14.11 H new ATOM 0 HD3 LYS A 38 3.325 -19.650 2.940 1.00 14.11 H new ATOM 0 HE2 LYS A 38 1.354 -18.781 1.729 1.00 53.22 H new ATOM 0 HE3 LYS A 38 1.927 -19.485 0.230 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 0.242 -20.851 1.251 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 1.722 -21.683 1.215 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 1.166 -21.001 2.667 1.00 30.43 H new ATOM 649 N TYR A 39 2.402 -15.107 -0.247 1.00 74.05 N ATOM 650 CA TYR A 39 1.789 -15.078 -1.571 1.00 12.53 C ATOM 651 C TYR A 39 2.128 -13.783 -2.302 1.00 13.41 C ATOM 652 O TYR A 39 1.740 -13.598 -3.454 1.00 2.12 O ATOM 653 CB TYR A 39 0.267 -15.198 -1.408 1.00 73.50 C ATOM 654 CG TYR A 39 -0.462 -15.646 -2.638 1.00 32.23 C ATOM 655 CD1 TYR A 39 -0.469 -16.974 -2.963 1.00 62.14 C ATOM 656 CD2 TYR A 39 -1.137 -14.756 -3.470 1.00 33.20 C ATOM 657 CE1 TYR A 39 -1.113 -17.433 -4.080 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.794 -15.207 -4.600 1.00 1.32 C ATOM 659 CZ TYR A 39 -1.773 -16.554 -4.898 1.00 33.11 C ATOM 660 OH TYR A 39 -2.416 -17.031 -6.033 1.00 24.32 O ATOM 0 H TYR A 39 1.846 -14.663 0.484 1.00 74.05 H new ATOM 0 HA TYR A 39 2.175 -15.909 -2.162 1.00 12.53 H new ATOM 0 HB2 TYR A 39 0.056 -15.900 -0.601 1.00 73.50 H new ATOM 0 HB3 TYR A 39 -0.129 -14.230 -1.100 1.00 73.50 H new ATOM 0 HD1 TYR A 39 0.045 -17.677 -2.324 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -1.147 -13.703 -3.230 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -1.101 -18.487 -4.316 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.317 -14.513 -5.241 1.00 1.32 H new ATOM 0 HH TYR A 39 -2.838 -16.285 -6.508 1.00 24.32 H new ATOM 670 N ASN A 40 2.921 -12.954 -1.638 1.00 43.42 N ATOM 671 CA ASN A 40 3.243 -11.583 -2.064 1.00 41.25 C ATOM 672 C ASN A 40 2.054 -10.677 -1.814 1.00 40.41 C ATOM 673 O ASN A 40 1.027 -10.768 -2.499 1.00 21.44 O ATOM 674 CB ASN A 40 3.742 -11.471 -3.528 1.00 44.44 C ATOM 675 CG ASN A 40 4.112 -10.043 -3.914 1.00 2.30 C ATOM 676 OD1 ASN A 40 3.292 -9.279 -4.419 1.00 64.13 O ATOM 677 ND2 ASN A 40 5.350 -9.683 -3.688 1.00 53.45 N ATOM 0 H ASN A 40 3.375 -13.216 -0.763 1.00 43.42 H new ATOM 0 HA ASN A 40 4.088 -11.258 -1.457 1.00 41.25 H new ATOM 0 HB2 ASN A 40 4.610 -12.116 -3.662 1.00 44.44 H new ATOM 0 HB3 ASN A 40 2.966 -11.836 -4.201 1.00 44.44 H new ATOM 0 HD21 ASN A 40 5.660 -8.743 -3.933 1.00 53.45 H new ATOM 0 HD22 ASN A 40 6.004 -10.343 -3.267 1.00 53.45 H new ATOM 684 N PRO A 41 2.142 -9.834 -0.777 1.00 2.41 N ATOM 685 CA PRO A 41 1.078 -8.920 -0.435 1.00 33.40 C ATOM 686 C PRO A 41 0.967 -7.801 -1.454 1.00 61.13 C ATOM 687 O PRO A 41 1.686 -6.792 -1.387 1.00 2.50 O ATOM 688 CB PRO A 41 1.465 -8.372 0.955 1.00 23.24 C ATOM 689 CG PRO A 41 2.639 -9.191 1.389 1.00 52.51 C ATOM 690 CD PRO A 41 3.283 -9.691 0.130 1.00 12.41 C ATOM 0 HA PRO A 41 0.104 -9.409 -0.427 1.00 33.40 H new ATOM 0 HB2 PRO A 41 1.721 -7.314 0.903 1.00 23.24 H new ATOM 0 HB3 PRO A 41 0.638 -8.466 1.659 1.00 23.24 H new ATOM 0 HG2 PRO A 41 3.338 -8.592 1.973 1.00 52.51 H new ATOM 0 HG3 PRO A 41 2.323 -10.021 2.022 1.00 52.51 H new ATOM 0 HD2 PRO A 41 4.021 -8.987 -0.255 1.00 12.41 H new ATOM 0 HD3 PRO A 41 3.798 -10.639 0.287 1.00 12.41 H new ATOM 698 N SER A 42 0.148 -8.027 -2.439 1.00 32.11 N ATOM 699 CA SER A 42 -0.101 -7.058 -3.434 1.00 31.54 C ATOM 700 C SER A 42 -1.127 -6.051 -2.911 1.00 35.33 C ATOM 701 O SER A 42 -1.941 -6.374 -2.014 1.00 31.14 O ATOM 702 CB SER A 42 -0.502 -7.742 -4.738 1.00 33.24 C ATOM 703 OG SER A 42 -1.551 -8.675 -4.533 1.00 63.24 O ATOM 0 H SER A 42 -0.364 -8.900 -2.564 1.00 32.11 H new ATOM 0 HA SER A 42 0.801 -6.490 -3.663 1.00 31.54 H new ATOM 0 HB2 SER A 42 -0.818 -6.991 -5.462 1.00 33.24 H new ATOM 0 HB3 SER A 42 0.362 -8.252 -5.164 1.00 33.24 H new ATOM 0 HG SER A 42 -2.188 -8.620 -5.276 1.00 63.24 H new ATOM 709 N LEU A 43 -1.104 -4.860 -3.452 1.00 41.22 N ATOM 710 CA LEU A 43 -1.833 -3.769 -2.879 1.00 3.42 C ATOM 711 C LEU A 43 -3.346 -3.881 -3.021 1.00 71.35 C ATOM 712 O LEU A 43 -4.022 -3.514 -2.109 1.00 31.14 O ATOM 713 CB LEU A 43 -1.248 -2.394 -3.319 1.00 34.44 C ATOM 714 CG LEU A 43 -1.743 -1.094 -2.593 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.088 -0.621 -3.113 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.788 -1.287 -1.051 1.00 44.53 C ATOM 0 H LEU A 43 -0.582 -4.625 -4.296 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.683 -3.835 -1.801 1.00 3.42 H new ATOM 0 HB2 LEU A 43 -0.165 -2.444 -3.204 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.450 -2.275 -4.383 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.015 -0.315 -2.820 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.388 0.281 -2.580 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.010 -0.404 -4.178 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.834 -1.400 -2.955 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.135 -0.368 -0.579 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.471 -2.101 -0.806 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.790 -1.528 -0.685 1.00 44.53 H new ATOM 728 N GLN A 44 -3.890 -4.422 -4.121 1.00 2.30 N ATOM 729 CA GLN A 44 -5.371 -4.480 -4.267 1.00 25.44 C ATOM 730 C GLN A 44 -6.016 -5.270 -3.118 1.00 14.52 C ATOM 731 O GLN A 44 -7.035 -4.843 -2.558 1.00 12.34 O ATOM 732 CB GLN A 44 -5.800 -5.070 -5.619 1.00 43.20 C ATOM 733 CG GLN A 44 -7.311 -5.032 -5.854 1.00 23.12 C ATOM 734 CD GLN A 44 -7.736 -5.718 -7.139 1.00 1.11 C ATOM 735 OE1 GLN A 44 -7.103 -6.672 -7.592 1.00 21.35 O ATOM 736 NE2 GLN A 44 -8.796 -5.244 -7.735 1.00 45.30 N ATOM 0 H GLN A 44 -3.361 -4.814 -4.900 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.725 -3.450 -4.226 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -5.303 -4.522 -6.419 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -5.457 -6.103 -5.680 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -7.815 -5.508 -5.013 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -7.642 -3.994 -5.878 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -9.297 -4.452 -7.332 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -9.124 -5.665 -8.604 1.00 45.30 H new ATOM 745 N LEU A 45 -5.411 -6.403 -2.767 1.00 33.52 N ATOM 746 CA LEU A 45 -5.874 -7.205 -1.629 1.00 33.42 C ATOM 747 C LEU A 45 -5.800 -6.392 -0.352 1.00 12.12 C ATOM 748 O LEU A 45 -6.777 -6.278 0.380 1.00 53.21 O ATOM 749 CB LEU A 45 -5.055 -8.509 -1.454 1.00 75.22 C ATOM 750 CG LEU A 45 -5.258 -9.635 -2.486 1.00 12.11 C ATOM 751 CD1 LEU A 45 -6.716 -10.025 -2.582 1.00 72.44 C ATOM 752 CD2 LEU A 45 -4.695 -9.278 -3.848 1.00 1.23 C ATOM 0 H LEU A 45 -4.600 -6.789 -3.251 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.907 -7.484 -1.837 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.998 -8.242 -1.455 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -5.281 -8.915 -0.468 1.00 75.22 H new ATOM 0 HG LEU A 45 -4.696 -10.498 -2.130 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -6.832 -10.821 -3.317 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -7.064 -10.375 -1.610 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -7.305 -9.160 -2.888 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -4.863 -10.104 -4.539 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -5.192 -8.383 -4.224 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -3.625 -9.090 -3.761 1.00 1.23 H new ATOM 764 N ALA A 46 -4.660 -5.764 -0.158 1.00 72.35 N ATOM 765 CA ALA A 46 -4.385 -4.962 1.024 1.00 41.10 C ATOM 766 C ALA A 46 -5.345 -3.780 1.108 1.00 44.34 C ATOM 767 O ALA A 46 -5.828 -3.435 2.178 1.00 24.52 O ATOM 768 CB ALA A 46 -2.939 -4.485 1.021 1.00 4.33 C ATOM 0 H ALA A 46 -3.886 -5.794 -0.822 1.00 72.35 H new ATOM 0 HA ALA A 46 -4.537 -5.585 1.905 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.751 -3.887 1.913 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -2.272 -5.347 1.015 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.757 -3.880 0.133 1.00 4.33 H new ATOM 774 N LEU A 47 -5.634 -3.206 -0.046 1.00 33.43 N ATOM 775 CA LEU A 47 -6.457 -2.022 -0.203 1.00 23.45 C ATOM 776 C LEU A 47 -7.861 -2.307 0.316 1.00 50.21 C ATOM 777 O LEU A 47 -8.418 -1.539 1.103 1.00 21.23 O ATOM 778 CB LEU A 47 -6.510 -1.733 -1.733 1.00 32.41 C ATOM 779 CG LEU A 47 -6.993 -0.370 -2.240 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.462 -0.099 -1.935 1.00 11.43 C ATOM 781 CD2 LEU A 47 -6.098 0.712 -1.700 1.00 70.53 C ATOM 0 H LEU A 47 -5.287 -3.567 -0.935 1.00 33.43 H new ATOM 0 HA LEU A 47 -6.054 -1.173 0.350 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -5.506 -1.888 -2.127 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -7.150 -2.492 -2.184 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.928 -0.379 -3.328 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -8.739 0.882 -2.321 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -9.079 -0.863 -2.409 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.620 -0.123 -0.857 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -6.441 1.682 -2.060 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -6.128 0.699 -0.610 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -5.076 0.541 -2.037 1.00 70.53 H new ATOM 793 N LYS A 48 -8.416 -3.425 -0.100 1.00 52.33 N ATOM 794 CA LYS A 48 -9.730 -3.791 0.351 1.00 54.10 C ATOM 795 C LYS A 48 -9.765 -4.199 1.810 1.00 25.41 C ATOM 796 O LYS A 48 -10.709 -3.872 2.516 1.00 42.33 O ATOM 797 CB LYS A 48 -10.475 -4.735 -0.598 1.00 63.32 C ATOM 798 CG LYS A 48 -9.706 -5.947 -1.091 1.00 23.52 C ATOM 799 CD LYS A 48 -10.563 -6.755 -2.056 1.00 64.34 C ATOM 800 CE LYS A 48 -11.025 -5.902 -3.233 1.00 3.10 C ATOM 801 NZ LYS A 48 -11.997 -6.600 -4.084 1.00 33.32 N ATOM 0 H LYS A 48 -7.979 -4.086 -0.743 1.00 52.33 H new ATOM 0 HA LYS A 48 -10.319 -2.875 0.308 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -11.376 -5.085 -0.093 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -10.799 -4.160 -1.466 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -8.789 -5.628 -1.587 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -9.412 -6.569 -0.246 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -9.994 -7.609 -2.424 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -11.431 -7.153 -1.530 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -11.471 -4.981 -2.858 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -10.161 -5.617 -3.833 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -11.665 -6.591 -5.070 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -12.097 -7.584 -3.762 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -12.918 -6.120 -4.024 1.00 33.32 H new ATOM 815 N ILE A 49 -8.713 -4.865 2.269 1.00 54.11 N ATOM 816 CA ILE A 49 -8.600 -5.242 3.679 1.00 1.24 C ATOM 817 C ILE A 49 -8.578 -3.976 4.545 1.00 2.41 C ATOM 818 O ILE A 49 -9.311 -3.868 5.529 1.00 64.12 O ATOM 819 CB ILE A 49 -7.318 -6.085 3.945 1.00 62.52 C ATOM 820 CG1 ILE A 49 -7.375 -7.398 3.158 1.00 62.35 C ATOM 821 CG2 ILE A 49 -7.154 -6.369 5.435 1.00 5.22 C ATOM 822 CD1 ILE A 49 -6.111 -8.230 3.236 1.00 35.31 C ATOM 0 H ILE A 49 -7.926 -5.156 1.690 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.463 -5.856 3.937 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.455 -5.510 3.610 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -8.210 -7.993 3.527 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -7.583 -7.172 2.112 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -6.252 -6.959 5.596 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -7.073 -5.427 5.978 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -8.020 -6.924 5.797 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -6.238 -9.141 2.651 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -5.273 -7.657 2.838 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.911 -8.491 4.275 1.00 35.31 H new ATOM 834 N ALA A 50 -7.807 -2.998 4.098 1.00 44.20 N ATOM 835 CA ALA A 50 -7.655 -1.723 4.781 1.00 11.21 C ATOM 836 C ALA A 50 -8.973 -0.985 4.811 1.00 70.10 C ATOM 837 O ALA A 50 -9.312 -0.316 5.781 1.00 34.45 O ATOM 838 CB ALA A 50 -6.649 -0.876 4.044 1.00 53.40 C ATOM 0 H ALA A 50 -7.262 -3.068 3.239 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.319 -1.912 5.801 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.534 0.080 4.555 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.689 -1.391 4.018 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.996 -0.703 3.025 1.00 53.40 H new ATOM 844 N TYR A 51 -9.690 -1.087 3.726 1.00 50.04 N ATOM 845 CA TYR A 51 -10.967 -0.453 3.569 1.00 11.22 C ATOM 846 C TYR A 51 -12.056 -1.106 4.442 1.00 40.54 C ATOM 847 O TYR A 51 -12.719 -0.422 5.212 1.00 51.22 O ATOM 848 CB TYR A 51 -11.341 -0.458 2.084 1.00 31.54 C ATOM 849 CG TYR A 51 -12.732 0.003 1.763 1.00 42.44 C ATOM 850 CD1 TYR A 51 -13.041 1.346 1.624 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.731 -0.924 1.580 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.325 1.747 1.312 1.00 33.41 C ATOM 853 CE2 TYR A 51 -15.014 -0.543 1.264 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.308 0.797 1.134 1.00 45.04 C ATOM 855 OH TYR A 51 -16.587 1.189 0.803 1.00 12.24 O ATOM 0 H TYR A 51 -9.396 -1.624 2.911 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.895 0.577 3.917 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.635 0.176 1.548 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -11.216 -1.470 1.700 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.269 2.088 1.761 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.503 -1.974 1.687 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.557 2.797 1.208 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.784 -1.287 1.119 1.00 14.05 H new ATOM 0 HH TYR A 51 -17.159 0.398 0.713 1.00 12.24 H new ATOM 865 N TYR A 52 -12.213 -2.428 4.352 1.00 52.41 N ATOM 866 CA TYR A 52 -13.284 -3.121 5.092 1.00 3.45 C ATOM 867 C TYR A 52 -13.026 -3.167 6.586 1.00 25.43 C ATOM 868 O TYR A 52 -13.960 -3.132 7.394 1.00 40.30 O ATOM 869 CB TYR A 52 -13.542 -4.532 4.557 1.00 51.32 C ATOM 870 CG TYR A 52 -14.163 -4.586 3.178 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.492 -4.248 2.979 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.430 -5.001 2.086 1.00 1.22 C ATOM 873 CE1 TYR A 52 -16.064 -4.327 1.727 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.990 -5.078 0.833 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.305 -4.742 0.658 1.00 75.33 C ATOM 876 OH TYR A 52 -15.864 -4.824 -0.590 1.00 10.50 O ATOM 0 H TYR A 52 -11.625 -3.038 3.784 1.00 52.41 H new ATOM 0 HA TYR A 52 -14.182 -2.526 4.927 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.597 -5.075 4.536 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -14.195 -5.056 5.255 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -16.088 -3.918 3.817 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.393 -5.272 2.218 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -17.102 -4.064 1.587 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.396 -5.402 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.190 -5.133 -1.231 1.00 10.50 H new ATOM 886 N LEU A 53 -11.777 -3.254 6.955 1.00 43.52 N ATOM 887 CA LEU A 53 -11.419 -3.256 8.361 1.00 35.04 C ATOM 888 C LEU A 53 -11.280 -1.831 8.875 1.00 52.42 C ATOM 889 O LEU A 53 -11.224 -1.604 10.085 1.00 34.31 O ATOM 890 CB LEU A 53 -10.141 -4.071 8.623 1.00 34.25 C ATOM 891 CG LEU A 53 -10.208 -5.564 8.249 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.900 -6.259 8.561 1.00 73.24 C ATOM 893 CD2 LEU A 53 -11.350 -6.255 8.965 1.00 30.33 C ATOM 0 H LEU A 53 -10.989 -3.324 6.311 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.225 -3.743 8.911 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.321 -3.614 8.069 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.893 -3.992 9.682 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.387 -5.627 7.176 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.973 -7.312 8.288 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -8.095 -5.792 7.993 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.688 -6.175 9.627 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -11.373 -7.307 8.682 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -11.207 -6.172 10.042 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -12.292 -5.784 8.686 1.00 30.33 H new ATOM 904 N ASN A 54 -11.283 -0.883 7.924 1.00 23.44 N ATOM 905 CA ASN A 54 -11.129 0.560 8.166 1.00 34.54 C ATOM 906 C ASN A 54 -9.944 0.826 9.071 1.00 23.31 C ATOM 907 O ASN A 54 -10.077 1.187 10.252 1.00 53.04 O ATOM 908 CB ASN A 54 -12.420 1.216 8.686 1.00 0.13 C ATOM 909 CG ASN A 54 -12.298 2.722 8.894 1.00 2.32 C ATOM 910 OD1 ASN A 54 -11.535 3.413 8.206 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.030 3.236 9.842 1.00 61.11 N ATOM 0 H ASN A 54 -11.396 -1.107 6.935 1.00 23.44 H new ATOM 0 HA ASN A 54 -10.928 1.032 7.205 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.227 1.019 7.981 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -12.700 0.749 9.630 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -12.985 4.236 10.036 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -13.648 2.638 10.390 1.00 61.11 H new ATOM 918 N THR A 55 -8.801 0.541 8.545 1.00 45.02 N ATOM 919 CA THR A 55 -7.569 0.648 9.248 1.00 24.13 C ATOM 920 C THR A 55 -6.480 0.990 8.230 1.00 75.14 C ATOM 921 O THR A 55 -6.420 0.368 7.168 1.00 45.22 O ATOM 922 CB THR A 55 -7.258 -0.708 9.955 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.311 -1.016 10.893 1.00 22.11 O ATOM 924 CG2 THR A 55 -5.938 -0.670 10.696 1.00 53.13 C ATOM 0 H THR A 55 -8.696 0.217 7.584 1.00 45.02 H new ATOM 0 HA THR A 55 -7.618 1.425 10.011 1.00 24.13 H new ATOM 0 HB THR A 55 -7.194 -1.474 9.183 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.116 -1.868 11.335 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.761 -1.634 11.173 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.132 -0.460 9.993 1.00 53.13 H new ATOM 0 HG23 THR A 55 -5.970 0.111 11.456 1.00 53.13 H new ATOM 932 N PRO A 56 -5.660 2.022 8.507 1.00 2.53 N ATOM 933 CA PRO A 56 -4.585 2.447 7.604 1.00 62.14 C ATOM 934 C PRO A 56 -3.555 1.355 7.371 1.00 22.43 C ATOM 935 O PRO A 56 -3.290 0.528 8.263 1.00 73.34 O ATOM 936 CB PRO A 56 -3.919 3.613 8.352 1.00 52.13 C ATOM 937 CG PRO A 56 -4.340 3.448 9.771 1.00 3.21 C ATOM 938 CD PRO A 56 -5.717 2.865 9.713 1.00 22.03 C ATOM 0 HA PRO A 56 -4.977 2.706 6.621 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -2.834 3.576 8.255 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -4.242 4.574 7.953 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -3.657 2.790 10.309 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -4.340 4.404 10.294 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -5.948 2.282 10.604 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -6.481 3.638 9.631 1.00 22.03 H new ATOM 946 N LEU A 57 -2.963 1.369 6.185 1.00 62.42 N ATOM 947 CA LEU A 57 -1.897 0.439 5.812 1.00 13.13 C ATOM 948 C LEU A 57 -0.773 0.497 6.814 1.00 71.12 C ATOM 949 O LEU A 57 -0.155 -0.512 7.109 1.00 53.41 O ATOM 950 CB LEU A 57 -1.332 0.753 4.423 1.00 34.12 C ATOM 951 CG LEU A 57 -2.125 0.309 3.184 1.00 42.20 C ATOM 952 CD1 LEU A 57 -3.525 0.893 3.146 1.00 35.04 C ATOM 953 CD2 LEU A 57 -1.359 0.726 1.957 1.00 13.21 C ATOM 0 H LEU A 57 -3.208 2.029 5.447 1.00 62.42 H new ATOM 0 HA LEU A 57 -2.335 -0.559 5.797 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -1.196 1.833 4.358 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -0.342 0.302 4.360 1.00 34.12 H new ATOM 0 HG LEU A 57 -2.242 -0.774 3.222 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -4.040 0.546 2.250 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -4.077 0.572 4.029 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -3.465 1.981 3.132 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -1.906 0.420 1.065 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -1.238 1.809 1.954 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -0.378 0.251 1.962 1.00 13.21 H new ATOM 964 N GLU A 58 -0.545 1.693 7.347 1.00 41.15 N ATOM 965 CA GLU A 58 0.484 1.951 8.348 1.00 25.13 C ATOM 966 C GLU A 58 0.304 1.074 9.595 1.00 23.31 C ATOM 967 O GLU A 58 1.281 0.619 10.196 1.00 41.22 O ATOM 968 CB GLU A 58 0.425 3.431 8.796 1.00 25.40 C ATOM 969 CG GLU A 58 0.766 4.494 7.739 1.00 63.30 C ATOM 970 CD GLU A 58 -0.219 4.632 6.598 1.00 34.03 C ATOM 971 OE1 GLU A 58 -1.417 4.387 6.797 1.00 71.30 O ATOM 972 OE2 GLU A 58 0.196 5.026 5.483 1.00 53.22 O ATOM 0 H GLU A 58 -1.079 2.524 7.091 1.00 41.15 H new ATOM 0 HA GLU A 58 1.443 1.719 7.885 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.580 3.633 9.168 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.107 3.558 9.637 1.00 25.40 H new ATOM 0 HG2 GLU A 58 0.852 5.459 8.238 1.00 63.30 H new ATOM 0 HG3 GLU A 58 1.746 4.262 7.321 1.00 63.30 H new ATOM 979 N ASP A 59 -0.930 0.881 9.997 1.00 34.01 N ATOM 980 CA ASP A 59 -1.250 0.068 11.169 1.00 63.41 C ATOM 981 C ASP A 59 -1.025 -1.413 10.851 1.00 42.14 C ATOM 982 O ASP A 59 -0.472 -2.167 11.649 1.00 72.41 O ATOM 983 CB ASP A 59 -2.705 0.304 11.585 1.00 22.41 C ATOM 984 CG ASP A 59 -3.073 -0.287 12.941 1.00 52.54 C ATOM 985 OD1 ASP A 59 -3.358 -1.494 13.052 1.00 14.52 O ATOM 986 OD2 ASP A 59 -3.123 0.473 13.929 1.00 60.45 O ATOM 0 H ASP A 59 -1.745 1.277 9.529 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.597 0.355 11.993 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.895 1.377 11.606 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.361 -0.122 10.826 1.00 22.41 H new ATOM 991 N ILE A 60 -1.440 -1.783 9.650 1.00 25.13 N ATOM 992 CA ILE A 60 -1.416 -3.164 9.172 1.00 73.13 C ATOM 993 C ILE A 60 0.006 -3.652 8.880 1.00 51.12 C ATOM 994 O ILE A 60 0.460 -4.673 9.423 1.00 44.15 O ATOM 995 CB ILE A 60 -2.306 -3.342 7.912 1.00 50.03 C ATOM 996 CG1 ILE A 60 -3.727 -2.819 8.186 1.00 75.01 C ATOM 997 CG2 ILE A 60 -2.357 -4.814 7.518 1.00 14.41 C ATOM 998 CD1 ILE A 60 -4.658 -2.883 6.987 1.00 50.54 C ATOM 0 H ILE A 60 -1.810 -1.124 8.965 1.00 25.13 H new ATOM 0 HA ILE A 60 -1.821 -3.775 9.979 1.00 73.13 H new ATOM 0 HB ILE A 60 -1.875 -2.768 7.091 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.163 -3.396 9.001 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -3.662 -1.785 8.526 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -2.983 -4.932 6.633 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -1.349 -5.167 7.299 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -2.775 -5.396 8.339 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -5.638 -2.496 7.266 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -4.248 -2.282 6.175 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -4.757 -3.917 6.658 1.00 50.54 H new ATOM 1010 N PHE A 61 0.694 -2.943 8.023 1.00 35.15 N ATOM 1011 CA PHE A 61 2.019 -3.333 7.607 1.00 22.52 C ATOM 1012 C PHE A 61 3.066 -2.354 8.107 1.00 61.31 C ATOM 1013 O PHE A 61 2.839 -1.144 8.155 1.00 64.35 O ATOM 1014 CB PHE A 61 2.101 -3.456 6.062 1.00 0.12 C ATOM 1015 CG PHE A 61 1.197 -4.498 5.462 1.00 21.33 C ATOM 1016 CD1 PHE A 61 1.500 -5.844 5.567 1.00 71.31 C ATOM 1017 CD2 PHE A 61 0.051 -4.125 4.776 1.00 50.52 C ATOM 1018 CE1 PHE A 61 0.676 -6.799 5.002 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -0.778 -5.076 4.211 1.00 53.10 C ATOM 1020 CZ PHE A 61 -0.464 -6.415 4.325 1.00 22.32 C ATOM 0 H PHE A 61 0.355 -2.082 7.594 1.00 35.15 H new ATOM 0 HA PHE A 61 2.224 -4.309 8.048 1.00 22.52 H new ATOM 0 HB2 PHE A 61 1.859 -2.489 5.622 1.00 0.12 H new ATOM 0 HB3 PHE A 61 3.130 -3.685 5.784 1.00 0.12 H new ATOM 0 HD1 PHE A 61 2.390 -6.152 6.096 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -0.197 -3.078 4.682 1.00 50.52 H new ATOM 0 HE1 PHE A 61 0.924 -7.846 5.090 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -1.669 -4.772 3.682 1.00 53.10 H new ATOM 0 HZ PHE A 61 -1.109 -7.161 3.885 1.00 22.32 H new ATOM 1030 N GLN A 62 4.193 -2.878 8.496 1.00 72.24 N ATOM 1031 CA GLN A 62 5.305 -2.070 8.879 1.00 2.15 C ATOM 1032 C GLN A 62 6.365 -2.206 7.825 1.00 41.21 C ATOM 1033 O GLN A 62 6.760 -3.318 7.466 1.00 54.12 O ATOM 1034 CB GLN A 62 5.859 -2.455 10.253 1.00 43.12 C ATOM 1035 CG GLN A 62 7.062 -1.610 10.676 1.00 54.21 C ATOM 1036 CD GLN A 62 7.572 -1.915 12.069 1.00 62.30 C ATOM 1037 OE1 GLN A 62 8.775 -1.797 12.339 1.00 51.34 O ATOM 1038 NE2 GLN A 62 6.694 -2.257 12.969 1.00 41.41 N ATOM 0 H GLN A 62 4.363 -3.882 8.555 1.00 72.24 H new ATOM 0 HA GLN A 62 4.976 -1.034 8.962 1.00 2.15 H new ATOM 0 HB2 GLN A 62 5.070 -2.351 10.998 1.00 43.12 H new ATOM 0 HB3 GLN A 62 6.148 -3.506 10.240 1.00 43.12 H new ATOM 0 HG2 GLN A 62 7.871 -1.766 9.962 1.00 54.21 H new ATOM 0 HG3 GLN A 62 6.789 -0.556 10.623 1.00 54.21 H new ATOM 0 HE21 GLN A 62 5.710 -2.346 12.714 1.00 41.41 H new ATOM 0 HE22 GLN A 62 6.990 -2.436 13.928 1.00 41.41 H new ATOM 1047 N TRP A 63 6.794 -1.109 7.314 1.00 13.44 N ATOM 1048 CA TRP A 63 7.775 -1.094 6.277 1.00 61.35 C ATOM 1049 C TRP A 63 9.064 -0.469 6.726 1.00 61.52 C ATOM 1050 O TRP A 63 9.074 0.606 7.332 1.00 24.43 O ATOM 1051 CB TRP A 63 7.228 -0.428 5.020 1.00 14.01 C ATOM 1052 CG TRP A 63 6.350 0.778 5.262 1.00 34.23 C ATOM 1053 CD1 TRP A 63 6.732 2.073 5.477 1.00 3.21 C ATOM 1054 CD2 TRP A 63 4.918 0.774 5.272 1.00 53.32 C ATOM 1055 NE1 TRP A 63 5.614 2.867 5.629 1.00 11.14 N ATOM 1056 CE2 TRP A 63 4.491 2.090 5.494 1.00 74.31 C ATOM 1057 CE3 TRP A 63 3.959 -0.231 5.108 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 3.140 2.431 5.552 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 2.628 0.108 5.160 1.00 3.40 C ATOM 1060 CH2 TRP A 63 2.227 1.422 5.376 1.00 31.53 C ATOM 0 H TRP A 63 6.474 -0.185 7.603 1.00 13.44 H new ATOM 0 HA TRP A 63 8.006 -2.130 6.030 1.00 61.35 H new ATOM 0 HB2 TRP A 63 8.067 -0.127 4.393 1.00 14.01 H new ATOM 0 HB3 TRP A 63 6.657 -1.166 4.456 1.00 14.01 H new ATOM 0 HD1 TRP A 63 7.753 2.421 5.521 1.00 3.21 H new ATOM 0 HE1 TRP A 63 5.621 3.870 5.812 1.00 11.14 H new ATOM 0 HE3 TRP A 63 4.259 -1.255 4.943 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 2.825 3.449 5.728 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 1.880 -0.660 5.031 1.00 3.40 H new ATOM 0 HH2 TRP A 63 1.173 1.654 5.406 1.00 31.53 H new ATOM 1071 N GLN A 64 10.146 -1.167 6.474 1.00 35.50 N ATOM 1072 CA GLN A 64 11.456 -0.690 6.817 1.00 11.44 C ATOM 1073 C GLN A 64 12.331 -0.699 5.564 1.00 30.22 C ATOM 1074 O GLN A 64 12.835 -1.754 5.173 1.00 33.31 O ATOM 1075 CB GLN A 64 12.110 -1.589 7.876 1.00 44.22 C ATOM 1076 CG GLN A 64 11.231 -1.929 9.067 1.00 32.13 C ATOM 1077 CD GLN A 64 11.974 -2.705 10.128 1.00 24.43 C ATOM 1078 OE1 GLN A 64 12.924 -3.438 9.839 1.00 13.50 O ATOM 1079 NE2 GLN A 64 11.545 -2.568 11.349 1.00 53.21 N ATOM 0 H GLN A 64 10.138 -2.083 6.025 1.00 35.50 H new ATOM 0 HA GLN A 64 11.362 0.318 7.220 1.00 11.44 H new ATOM 0 HB2 GLN A 64 12.423 -2.518 7.398 1.00 44.22 H new ATOM 0 HB3 GLN A 64 13.013 -1.098 8.239 1.00 44.22 H new ATOM 0 HG2 GLN A 64 10.840 -1.009 9.501 1.00 32.13 H new ATOM 0 HG3 GLN A 64 10.374 -2.511 8.728 1.00 32.13 H new ATOM 0 HE21 GLN A 64 10.756 -1.952 11.546 1.00 53.21 H new ATOM 0 HE22 GLN A 64 11.997 -3.077 12.109 1.00 53.21 H new ATOM 1088 N PRO A 65 12.433 0.438 4.856 1.00 63.05 N ATOM 1089 CA PRO A 65 13.326 0.583 3.688 1.00 13.14 C ATOM 1090 C PRO A 65 14.749 0.978 4.124 1.00 44.11 C ATOM 1091 O PRO A 65 15.636 1.196 3.303 1.00 4.41 O ATOM 1092 CB PRO A 65 12.674 1.729 2.882 1.00 11.15 C ATOM 1093 CG PRO A 65 11.420 2.089 3.632 1.00 34.32 C ATOM 1094 CD PRO A 65 11.636 1.645 5.048 1.00 62.43 C ATOM 0 HA PRO A 65 13.431 -0.342 3.121 1.00 13.14 H new ATOM 0 HB2 PRO A 65 13.344 2.585 2.806 1.00 11.15 H new ATOM 0 HB3 PRO A 65 12.445 1.412 1.865 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.233 3.162 3.585 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.551 1.595 3.197 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.163 2.395 5.637 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.697 1.439 5.561 1.00 62.43 H new ATOM 1102 N GLU A 66 14.904 1.107 5.424 1.00 22.55 N ATOM 1103 CA GLU A 66 16.166 1.436 6.058 1.00 60.44 C ATOM 1104 C GLU A 66 17.155 0.274 5.929 1.00 3.22 C ATOM 1105 O GLU A 66 17.942 0.227 4.949 1.00 11.44 O ATOM 1106 CB GLU A 66 15.941 1.756 7.539 1.00 14.51 C ATOM 1107 CG GLU A 66 15.129 3.009 7.812 1.00 33.32 C ATOM 1108 CD GLU A 66 15.807 4.271 7.322 1.00 75.24 C ATOM 1109 OE1 GLU A 66 16.979 4.510 7.686 1.00 31.01 O ATOM 1110 OE2 GLU A 66 15.169 5.076 6.600 1.00 24.43 O ATOM 1111 OXT GLU A 66 17.161 -0.605 6.807 1.00 0.00 O ATOM 0 H GLU A 66 14.139 0.983 6.087 1.00 22.55 H new ATOM 0 HA GLU A 66 16.584 2.309 5.557 1.00 60.44 H new ATOM 0 HB2 GLU A 66 15.439 0.908 8.006 1.00 14.51 H new ATOM 0 HB3 GLU A 66 16.912 1.858 8.024 1.00 14.51 H new ATOM 0 HG2 GLU A 66 14.155 2.916 7.331 1.00 33.32 H new ATOM 0 HG3 GLU A 66 14.949 3.092 8.884 1.00 33.32 H new ATOM 1119 N MET B 67 -11.985 2.540 -8.280 1.00 4.52 N ATOM 1120 CA MET B 67 -11.341 3.749 -8.763 1.00 15.43 C ATOM 1121 C MET B 67 -10.353 4.253 -7.741 1.00 54.41 C ATOM 1122 O MET B 67 -10.689 4.421 -6.561 1.00 33.23 O ATOM 1123 CB MET B 67 -12.366 4.835 -9.093 1.00 32.24 C ATOM 1124 CG MET B 67 -13.219 4.536 -10.314 1.00 0.23 C ATOM 1125 SD MET B 67 -12.244 4.442 -11.836 1.00 54.32 S ATOM 1126 CE MET B 67 -13.543 4.082 -13.025 1.00 74.51 C ATOM 0 HA MET B 67 -10.810 3.504 -9.683 1.00 15.43 H new ATOM 0 HB2 MET B 67 -13.020 4.975 -8.232 1.00 32.24 H new ATOM 0 HB3 MET B 67 -11.842 5.777 -9.252 1.00 32.24 H new ATOM 0 HG2 MET B 67 -13.744 3.593 -10.164 1.00 0.23 H new ATOM 0 HG3 MET B 67 -13.979 5.310 -10.421 1.00 0.23 H new ATOM 0 HE1 MET B 67 -13.110 3.992 -14.021 1.00 74.51 H new ATOM 0 HE2 MET B 67 -14.033 3.146 -12.756 1.00 74.51 H new ATOM 0 HE3 MET B 67 -14.275 4.889 -13.019 1.00 74.51 H new ATOM 1138 N ILE B 68 -9.148 4.466 -8.171 1.00 22.43 N ATOM 1139 CA ILE B 68 -8.117 4.964 -7.298 1.00 32.41 C ATOM 1140 C ILE B 68 -7.774 6.386 -7.711 1.00 45.13 C ATOM 1141 O ILE B 68 -7.499 6.652 -8.887 1.00 32.11 O ATOM 1142 CB ILE B 68 -6.831 4.077 -7.374 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -7.149 2.598 -7.046 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -5.729 4.610 -6.454 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -7.733 2.362 -5.661 1.00 54.01 C ATOM 0 H ILE B 68 -8.847 4.302 -9.132 1.00 22.43 H new ATOM 0 HA ILE B 68 -8.484 4.939 -6.272 1.00 32.41 H new ATOM 0 HB ILE B 68 -6.464 4.125 -8.399 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -7.850 2.218 -7.790 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -6.234 2.014 -7.143 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -4.850 3.970 -6.531 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -5.466 5.625 -6.751 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -6.085 4.614 -5.424 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -7.923 1.298 -5.523 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -7.027 2.706 -4.905 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -8.668 2.913 -5.562 1.00 54.01 H new ATOM 1157 N ILE B 69 -7.828 7.291 -6.778 1.00 31.31 N ATOM 1158 CA ILE B 69 -7.451 8.661 -7.028 1.00 25.12 C ATOM 1159 C ILE B 69 -6.021 8.833 -6.562 1.00 13.31 C ATOM 1160 O ILE B 69 -5.696 8.541 -5.416 1.00 33.20 O ATOM 1161 CB ILE B 69 -8.385 9.697 -6.278 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -9.861 9.647 -6.768 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -7.849 11.122 -6.400 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -10.652 8.407 -6.373 1.00 2.41 C ATOM 0 H ILE B 69 -8.133 7.106 -5.823 1.00 31.31 H new ATOM 0 HA ILE B 69 -7.555 8.864 -8.094 1.00 25.12 H new ATOM 0 HB ILE B 69 -8.375 9.399 -5.230 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -10.381 10.524 -6.383 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -9.865 9.726 -7.855 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -8.514 11.807 -5.874 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -6.853 11.175 -5.961 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -7.797 11.402 -7.452 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -11.665 8.481 -6.768 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -10.167 7.521 -6.782 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -10.691 8.331 -5.286 1.00 2.41 H new ATOM 1176 N ASN B 70 -5.178 9.286 -7.447 1.00 20.22 N ATOM 1177 CA ASN B 70 -3.761 9.394 -7.196 1.00 24.23 C ATOM 1178 C ASN B 70 -3.390 10.845 -6.967 1.00 32.00 C ATOM 1179 O ASN B 70 -3.808 11.737 -7.729 1.00 60.31 O ATOM 1180 CB ASN B 70 -2.996 8.831 -8.408 1.00 41.35 C ATOM 1181 CG ASN B 70 -1.488 9.005 -8.328 1.00 44.33 C ATOM 1182 OD1 ASN B 70 -0.906 9.038 -7.252 1.00 51.44 O ATOM 1183 ND2 ASN B 70 -0.855 9.130 -9.464 1.00 33.01 N ATOM 0 H ASN B 70 -5.456 9.596 -8.378 1.00 20.22 H new ATOM 0 HA ASN B 70 -3.497 8.825 -6.305 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -3.223 7.769 -8.506 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -3.360 9.320 -9.312 1.00 41.35 H new ATOM 0 HD21 ASN B 70 0.157 9.260 -9.473 1.00 33.01 H new ATOM 0 HD22 ASN B 70 -1.372 9.098 -10.342 1.00 33.01 H new ATOM 1190 N ASN B 71 -2.626 11.090 -5.927 1.00 65.43 N ATOM 1191 CA ASN B 71 -2.189 12.429 -5.573 1.00 54.20 C ATOM 1192 C ASN B 71 -0.706 12.392 -5.271 1.00 74.31 C ATOM 1193 O ASN B 71 -0.206 13.233 -4.524 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.909 12.959 -4.309 1.00 72.22 C ATOM 1195 CG ASN B 71 -4.411 12.969 -4.387 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -5.014 13.922 -4.886 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -5.028 11.941 -3.853 1.00 62.53 N ATOM 0 H ASN B 71 -2.286 10.364 -5.296 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.421 13.085 -6.412 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.609 12.350 -3.457 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.564 13.974 -4.112 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -6.047 11.909 -3.840 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -4.488 11.174 -3.451 1.00 62.53 H new ATOM 1204 N LEU B 72 0.006 11.431 -5.871 1.00 31.42 N ATOM 1205 CA LEU B 72 1.450 11.234 -5.651 1.00 41.12 C ATOM 1206 C LEU B 72 2.209 12.559 -5.840 1.00 32.41 C ATOM 1207 O LEU B 72 2.985 12.977 -4.969 1.00 15.34 O ATOM 1208 CB LEU B 72 1.962 10.128 -6.633 1.00 22.14 C ATOM 1209 CG LEU B 72 3.359 9.483 -6.404 1.00 2.34 C ATOM 1210 CD1 LEU B 72 4.516 10.441 -6.651 1.00 11.20 C ATOM 1211 CD2 LEU B 72 3.444 8.876 -5.012 1.00 33.32 C ATOM 0 H LEU B 72 -0.402 10.764 -6.526 1.00 31.42 H new ATOM 0 HA LEU B 72 1.631 10.906 -4.627 1.00 41.12 H new ATOM 0 HB2 LEU B 72 1.227 9.323 -6.629 1.00 22.14 H new ATOM 0 HB3 LEU B 72 1.961 10.556 -7.635 1.00 22.14 H new ATOM 0 HG LEU B 72 3.460 8.692 -7.147 1.00 2.34 H new ATOM 0 HD11 LEU B 72 5.460 9.925 -6.473 1.00 11.20 H new ATOM 0 HD12 LEU B 72 4.484 10.792 -7.682 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.434 11.292 -5.975 1.00 11.20 H new ATOM 0 HD21 LEU B 72 4.428 8.429 -4.869 1.00 33.32 H new ATOM 0 HD22 LEU B 72 3.287 9.655 -4.265 1.00 33.32 H new ATOM 0 HD23 LEU B 72 2.678 8.109 -4.902 1.00 33.32 H new ATOM 1223 N LYS B 73 1.975 13.221 -6.958 1.00 14.34 N ATOM 1224 CA LYS B 73 2.618 14.493 -7.211 1.00 42.10 C ATOM 1225 C LYS B 73 2.127 15.581 -6.251 1.00 53.11 C ATOM 1226 O LYS B 73 2.907 16.385 -5.805 1.00 74.22 O ATOM 1227 CB LYS B 73 2.566 14.943 -8.682 1.00 5.41 C ATOM 1228 CG LYS B 73 1.202 15.317 -9.230 1.00 35.52 C ATOM 1229 CD LYS B 73 1.339 15.767 -10.673 1.00 25.45 C ATOM 1230 CE LYS B 73 0.033 16.269 -11.248 1.00 12.21 C ATOM 1231 NZ LYS B 73 0.194 16.671 -12.659 1.00 61.12 N ATOM 0 H LYS B 73 1.350 12.901 -7.698 1.00 14.34 H new ATOM 0 HA LYS B 73 3.676 14.329 -7.007 1.00 42.10 H new ATOM 0 HB2 LYS B 73 3.227 15.802 -8.799 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.973 14.141 -9.298 1.00 5.41 H new ATOM 0 HG2 LYS B 73 0.527 14.463 -9.167 1.00 35.52 H new ATOM 0 HG3 LYS B 73 0.764 16.114 -8.630 1.00 35.52 H new ATOM 0 HD2 LYS B 73 2.087 16.557 -10.735 1.00 25.45 H new ATOM 0 HD3 LYS B 73 1.703 14.936 -11.277 1.00 25.45 H new ATOM 0 HE2 LYS B 73 -0.725 15.489 -11.173 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -0.323 17.117 -10.663 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 -0.716 17.011 -13.029 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 0.901 17.431 -12.725 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 0.512 15.854 -13.219 1.00 61.12 H new ATOM 1245 N LEU B 74 0.827 15.579 -5.940 1.00 3.54 N ATOM 1246 CA LEU B 74 0.205 16.574 -5.043 1.00 24.22 C ATOM 1247 C LEU B 74 0.921 16.598 -3.677 1.00 33.32 C ATOM 1248 O LEU B 74 1.256 17.672 -3.167 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.322 16.248 -4.911 1.00 15.15 C ATOM 1250 CG LEU B 74 -2.265 17.197 -4.103 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -2.060 17.108 -2.599 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -2.122 18.631 -4.570 1.00 34.11 C ATOM 0 H LEU B 74 0.170 14.888 -6.301 1.00 3.54 H new ATOM 0 HA LEU B 74 0.308 17.575 -5.462 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.725 16.177 -5.921 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.403 15.257 -4.465 1.00 15.15 H new ATOM 0 HG LEU B 74 -3.280 16.854 -4.303 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.745 17.791 -2.097 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -2.255 16.089 -2.265 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -1.033 17.380 -2.355 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -2.789 19.270 -3.992 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -1.092 18.959 -4.428 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.382 18.697 -5.626 1.00 34.11 H new ATOM 1264 N ILE B 75 1.181 15.423 -3.113 1.00 72.34 N ATOM 1265 CA ILE B 75 1.914 15.321 -1.838 1.00 55.53 C ATOM 1266 C ILE B 75 3.341 15.847 -2.000 1.00 3.21 C ATOM 1267 O ILE B 75 3.864 16.568 -1.140 1.00 40.20 O ATOM 1268 CB ILE B 75 1.907 13.860 -1.239 1.00 33.31 C ATOM 1269 CG1 ILE B 75 0.573 13.537 -0.525 1.00 5.53 C ATOM 1270 CG2 ILE B 75 3.076 13.627 -0.283 1.00 15.31 C ATOM 1271 CD1 ILE B 75 -0.665 13.575 -1.389 1.00 1.24 C ATOM 0 H ILE B 75 0.900 14.526 -3.510 1.00 72.34 H new ATOM 0 HA ILE B 75 1.388 15.946 -1.116 1.00 55.53 H new ATOM 0 HB ILE B 75 2.018 13.184 -2.087 1.00 33.31 H new ATOM 0 HG12 ILE B 75 0.652 12.545 -0.081 1.00 5.53 H new ATOM 0 HG13 ILE B 75 0.442 14.243 0.295 1.00 5.53 H new ATOM 0 HG21 ILE B 75 3.031 12.609 0.105 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.016 13.771 -0.816 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.016 14.334 0.545 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -1.539 13.333 -0.784 1.00 1.24 H new ATOM 0 HD12 ILE B 75 -0.782 14.572 -1.813 1.00 1.24 H new ATOM 0 HD13 ILE B 75 -0.569 12.847 -2.195 1.00 1.24 H new ATOM 1283 N ARG B 76 3.920 15.545 -3.131 1.00 23.44 N ATOM 1284 CA ARG B 76 5.257 15.982 -3.449 1.00 2.23 C ATOM 1285 C ARG B 76 5.348 17.475 -3.604 1.00 61.23 C ATOM 1286 O ARG B 76 6.383 18.038 -3.330 1.00 0.10 O ATOM 1287 CB ARG B 76 5.784 15.294 -4.671 1.00 24.15 C ATOM 1288 CG ARG B 76 6.364 13.924 -4.420 1.00 71.12 C ATOM 1289 CD ARG B 76 6.711 13.274 -5.732 1.00 32.20 C ATOM 1290 NE ARG B 76 7.379 14.215 -6.639 1.00 64.13 N ATOM 1291 CZ ARG B 76 7.033 14.371 -7.917 1.00 4.20 C ATOM 1292 NH1 ARG B 76 6.159 13.542 -8.462 1.00 64.25 N ATOM 1293 NH2 ARG B 76 7.545 15.352 -8.640 1.00 51.23 N ATOM 0 H ARG B 76 3.478 14.987 -3.862 1.00 23.44 H new ATOM 0 HA ARG B 76 5.882 15.702 -2.601 1.00 2.23 H new ATOM 0 HB2 ARG B 76 4.977 15.205 -5.398 1.00 24.15 H new ATOM 0 HB3 ARG B 76 6.552 15.922 -5.123 1.00 24.15 H new ATOM 0 HG2 ARG B 76 7.254 14.004 -3.796 1.00 71.12 H new ATOM 0 HG3 ARG B 76 5.647 13.309 -3.876 1.00 71.12 H new ATOM 0 HD2 ARG B 76 7.360 12.416 -5.554 1.00 32.20 H new ATOM 0 HD3 ARG B 76 5.804 12.895 -6.203 1.00 32.20 H new ATOM 0 HE ARG B 76 8.147 14.778 -6.273 1.00 64.13 H new ATOM 0 HH11 ARG B 76 5.754 12.789 -7.905 1.00 64.25 H new ATOM 0 HH12 ARG B 76 5.889 13.655 -9.439 1.00 64.25 H new ATOM 0 HH21 ARG B 76 8.212 16.000 -8.221 1.00 51.23 H new ATOM 0 HH22 ARG B 76 7.273 15.461 -9.617 1.00 51.23 H new ATOM 1307 N GLU B 77 4.291 18.090 -4.111 1.00 3.43 N ATOM 1308 CA GLU B 77 4.201 19.535 -4.222 1.00 32.25 C ATOM 1309 C GLU B 77 4.039 20.199 -2.855 1.00 23.22 C ATOM 1310 O GLU B 77 4.446 21.349 -2.661 1.00 24.24 O ATOM 1311 CB GLU B 77 3.097 19.945 -5.174 1.00 73.21 C ATOM 1312 CG GLU B 77 3.287 19.382 -6.563 1.00 31.54 C ATOM 1313 CD GLU B 77 2.245 19.854 -7.530 1.00 75.21 C ATOM 1314 OE1 GLU B 77 1.140 19.274 -7.568 1.00 52.20 O ATOM 1315 OE2 GLU B 77 2.506 20.798 -8.290 1.00 73.43 O ATOM 0 H GLU B 77 3.468 17.597 -4.458 1.00 3.43 H new ATOM 0 HA GLU B 77 5.144 19.889 -4.639 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.138 19.610 -4.778 1.00 73.21 H new ATOM 0 HB3 GLU B 77 3.056 21.033 -5.230 1.00 73.21 H new ATOM 0 HG2 GLU B 77 4.273 19.664 -6.932 1.00 31.54 H new ATOM 0 HG3 GLU B 77 3.264 18.293 -6.515 1.00 31.54 H new ATOM 1322 N LYS B 78 3.338 19.519 -1.942 1.00 12.34 N ATOM 1323 CA LYS B 78 3.228 19.991 -0.557 1.00 0.30 C ATOM 1324 C LYS B 78 4.611 20.077 0.113 1.00 41.03 C ATOM 1325 O LYS B 78 4.867 20.966 0.934 1.00 70.21 O ATOM 1326 CB LYS B 78 2.215 19.153 0.249 1.00 31.15 C ATOM 1327 CG LYS B 78 0.801 19.246 -0.328 1.00 63.14 C ATOM 1328 CD LYS B 78 -0.266 18.578 0.537 1.00 63.03 C ATOM 1329 CE LYS B 78 -0.084 17.072 0.668 1.00 13.30 C ATOM 1330 NZ LYS B 78 -1.198 16.465 1.432 1.00 22.43 N ATOM 0 H LYS B 78 2.842 18.648 -2.134 1.00 12.34 H new ATOM 0 HA LYS B 78 2.831 21.006 -0.575 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.534 18.111 0.259 1.00 31.15 H new ATOM 0 HB3 LYS B 78 2.206 19.493 1.284 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.542 20.296 -0.461 1.00 63.14 H new ATOM 0 HG3 LYS B 78 0.792 18.788 -1.317 1.00 63.14 H new ATOM 0 HD2 LYS B 78 -0.250 19.026 1.531 1.00 63.03 H new ATOM 0 HD3 LYS B 78 -1.248 18.782 0.111 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -0.031 16.621 -0.323 1.00 13.30 H new ATOM 0 HE3 LYS B 78 0.862 16.859 1.166 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -0.877 15.577 1.868 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.509 17.123 2.175 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -1.992 16.267 0.790 1.00 22.43 H new ATOM 1344 N LYS B 79 5.483 19.167 -0.243 1.00 11.23 N ATOM 1345 CA LYS B 79 6.903 19.235 0.125 1.00 71.54 C ATOM 1346 C LYS B 79 7.588 19.757 -1.133 1.00 62.41 C ATOM 1347 O LYS B 79 6.907 20.346 -1.951 1.00 22.21 O ATOM 1348 CB LYS B 79 7.406 17.832 0.496 1.00 24.24 C ATOM 1349 CG LYS B 79 6.668 17.226 1.682 1.00 24.13 C ATOM 1350 CD LYS B 79 6.908 18.028 2.957 1.00 4.22 C ATOM 1351 CE LYS B 79 6.029 17.549 4.108 1.00 44.25 C ATOM 1352 NZ LYS B 79 6.169 16.101 4.362 1.00 54.41 N ATOM 0 H LYS B 79 5.241 18.347 -0.800 1.00 11.23 H new ATOM 0 HA LYS B 79 7.099 19.873 0.987 1.00 71.54 H new ATOM 0 HB2 LYS B 79 7.297 17.174 -0.366 1.00 24.24 H new ATOM 0 HB3 LYS B 79 8.470 17.883 0.726 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.600 17.191 1.468 1.00 24.13 H new ATOM 0 HG3 LYS B 79 6.997 16.198 1.830 1.00 24.13 H new ATOM 0 HD2 LYS B 79 7.956 17.947 3.244 1.00 4.22 H new ATOM 0 HD3 LYS B 79 6.710 19.082 2.765 1.00 4.22 H new ATOM 0 HE2 LYS B 79 6.288 18.100 5.012 1.00 44.25 H new ATOM 0 HE3 LYS B 79 4.987 17.776 3.884 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 5.659 15.851 5.233 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 5.771 15.568 3.563 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 7.176 15.863 4.469 1.00 54.41 H new ATOM 1366 N LYS B 80 8.877 19.673 -1.326 1.00 71.43 N ATOM 1367 CA LYS B 80 9.353 19.985 -2.662 1.00 32.42 C ATOM 1368 C LYS B 80 10.400 18.988 -3.127 1.00 13.24 C ATOM 1369 O LYS B 80 11.615 19.245 -3.104 1.00 5.54 O ATOM 1370 CB LYS B 80 9.802 21.461 -2.815 1.00 73.24 C ATOM 1371 CG LYS B 80 10.837 21.953 -1.807 1.00 40.21 C ATOM 1372 CD LYS B 80 11.179 23.402 -2.077 1.00 43.22 C ATOM 1373 CE LYS B 80 12.212 23.944 -1.111 1.00 70.42 C ATOM 1374 NZ LYS B 80 12.552 25.346 -1.425 1.00 23.43 N ATOM 0 H LYS B 80 9.580 19.411 -0.635 1.00 71.43 H new ATOM 0 HA LYS B 80 8.502 19.880 -3.335 1.00 32.42 H new ATOM 0 HB2 LYS B 80 10.208 21.594 -3.818 1.00 73.24 H new ATOM 0 HB3 LYS B 80 8.920 22.098 -2.741 1.00 73.24 H new ATOM 0 HG2 LYS B 80 10.449 21.846 -0.794 1.00 40.21 H new ATOM 0 HG3 LYS B 80 11.737 21.341 -1.870 1.00 40.21 H new ATOM 0 HD2 LYS B 80 11.553 23.500 -3.096 1.00 43.22 H new ATOM 0 HD3 LYS B 80 10.273 24.004 -2.011 1.00 43.22 H new ATOM 0 HE2 LYS B 80 11.830 23.879 -0.092 1.00 70.42 H new ATOM 0 HE3 LYS B 80 13.112 23.330 -1.154 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 13.262 25.691 -0.748 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 12.938 25.402 -2.389 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 11.696 25.934 -1.360 1.00 23.43 H new ATOM 1388 N ILE B 81 9.929 17.816 -3.460 1.00 13.13 N ATOM 1389 CA ILE B 81 10.780 16.744 -3.925 1.00 43.54 C ATOM 1390 C ILE B 81 10.342 16.323 -5.323 1.00 51.30 C ATOM 1391 O ILE B 81 9.157 16.042 -5.559 1.00 65.41 O ATOM 1392 CB ILE B 81 10.726 15.521 -2.957 1.00 70.43 C ATOM 1393 CG1 ILE B 81 11.103 15.953 -1.527 1.00 24.32 C ATOM 1394 CG2 ILE B 81 11.660 14.410 -3.439 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.002 14.852 -0.490 1.00 1.24 C ATOM 0 H ILE B 81 8.939 17.573 -3.417 1.00 13.13 H new ATOM 0 HA ILE B 81 11.809 17.103 -3.953 1.00 43.54 H new ATOM 0 HB ILE B 81 9.707 15.134 -2.949 1.00 70.43 H new ATOM 0 HG12 ILE B 81 12.124 16.336 -1.534 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.456 16.777 -1.228 1.00 24.32 H new ATOM 0 HG21 ILE B 81 11.608 13.567 -2.751 1.00 62.43 H new ATOM 0 HG22 ILE B 81 11.356 14.085 -4.434 1.00 62.43 H new ATOM 0 HG23 ILE B 81 12.683 14.785 -3.476 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.285 15.245 0.486 1.00 1.24 H new ATOM 0 HD12 ILE B 81 9.977 14.483 -0.449 1.00 1.24 H new ATOM 0 HD13 ILE B 81 11.671 14.035 -0.760 1.00 1.24 H new ATOM 1407 N SER B 82 11.274 16.282 -6.226 1.00 2.42 N ATOM 1408 CA SER B 82 11.012 15.944 -7.589 1.00 41.31 C ATOM 1409 C SER B 82 11.314 14.456 -7.844 1.00 13.21 C ATOM 1410 O SER B 82 11.686 13.714 -6.914 1.00 35.13 O ATOM 1411 CB SER B 82 11.844 16.850 -8.494 1.00 43.33 C ATOM 1412 OG SER B 82 11.590 18.230 -8.211 1.00 71.34 O ATOM 0 H SER B 82 12.254 16.486 -6.031 1.00 2.42 H new ATOM 0 HA SER B 82 9.957 16.100 -7.813 1.00 41.31 H new ATOM 0 HB2 SER B 82 12.904 16.635 -8.354 1.00 43.33 H new ATOM 0 HB3 SER B 82 11.611 16.640 -9.538 1.00 43.33 H new ATOM 0 HG SER B 82 12.135 18.791 -8.802 1.00 71.34 H new ATOM 1418 N GLN B 83 11.153 14.027 -9.086 1.00 45.12 N ATOM 1419 CA GLN B 83 11.327 12.628 -9.454 1.00 65.34 C ATOM 1420 C GLN B 83 12.752 12.087 -9.227 1.00 13.44 C ATOM 1421 O GLN B 83 12.913 10.999 -8.678 1.00 12.11 O ATOM 1422 CB GLN B 83 10.851 12.353 -10.894 1.00 30.22 C ATOM 1423 CG GLN B 83 11.473 13.251 -11.947 1.00 4.43 C ATOM 1424 CD GLN B 83 11.076 12.875 -13.360 1.00 53.31 C ATOM 1425 OE1 GLN B 83 11.756 12.092 -14.022 1.00 72.33 O ATOM 1426 NE2 GLN B 83 9.971 13.396 -13.820 1.00 45.23 N ATOM 0 H GLN B 83 10.899 14.634 -9.865 1.00 45.12 H new ATOM 0 HA GLN B 83 10.688 12.074 -8.766 1.00 65.34 H new ATOM 0 HB2 GLN B 83 11.072 11.315 -11.144 1.00 30.22 H new ATOM 0 HB3 GLN B 83 9.768 12.466 -10.932 1.00 30.22 H new ATOM 0 HG2 GLN B 83 11.178 14.283 -11.756 1.00 4.43 H new ATOM 0 HG3 GLN B 83 12.558 13.208 -11.857 1.00 4.43 H new ATOM 0 HE21 GLN B 83 9.433 14.042 -13.243 1.00 45.23 H new ATOM 0 HE22 GLN B 83 9.646 13.157 -14.757 1.00 45.23 H new ATOM 1435 N SER B 84 13.778 12.843 -9.602 1.00 55.44 N ATOM 1436 CA SER B 84 15.143 12.346 -9.511 1.00 52.11 C ATOM 1437 C SER B 84 15.619 12.153 -8.069 1.00 62.21 C ATOM 1438 O SER B 84 16.374 11.217 -7.787 1.00 10.02 O ATOM 1439 CB SER B 84 16.089 13.231 -10.300 1.00 45.03 C ATOM 1440 OG SER B 84 15.659 13.324 -11.657 1.00 21.34 O ATOM 0 H SER B 84 13.691 13.791 -9.968 1.00 55.44 H new ATOM 0 HA SER B 84 15.147 11.352 -9.958 1.00 52.11 H new ATOM 0 HB2 SER B 84 16.126 14.225 -9.854 1.00 45.03 H new ATOM 0 HB3 SER B 84 17.099 12.824 -10.258 1.00 45.03 H new ATOM 0 HG SER B 84 16.276 13.899 -12.157 1.00 21.34 H new ATOM 1446 N GLU B 85 15.191 13.018 -7.157 1.00 50.43 N ATOM 1447 CA GLU B 85 15.556 12.861 -5.756 1.00 3.23 C ATOM 1448 C GLU B 85 14.980 11.577 -5.214 1.00 41.23 C ATOM 1449 O GLU B 85 15.657 10.841 -4.488 1.00 11.14 O ATOM 1450 CB GLU B 85 15.118 14.033 -4.871 1.00 33.34 C ATOM 1451 CG GLU B 85 15.606 15.392 -5.315 1.00 42.23 C ATOM 1452 CD GLU B 85 14.734 15.993 -6.369 1.00 44.10 C ATOM 1453 OE1 GLU B 85 14.900 15.683 -7.574 1.00 70.32 O ATOM 1454 OE2 GLU B 85 13.856 16.770 -6.016 1.00 64.25 O ATOM 0 H GLU B 85 14.599 13.824 -7.359 1.00 50.43 H new ATOM 0 HA GLU B 85 16.645 12.836 -5.726 1.00 3.23 H new ATOM 0 HB2 GLU B 85 14.029 14.051 -4.832 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.470 13.852 -3.856 1.00 33.34 H new ATOM 0 HG2 GLU B 85 15.645 16.060 -4.455 1.00 42.23 H new ATOM 0 HG3 GLU B 85 16.623 15.303 -5.696 1.00 42.23 H new ATOM 1461 N LEU B 86 13.743 11.292 -5.587 1.00 73.22 N ATOM 1462 CA LEU B 86 13.104 10.061 -5.187 1.00 10.22 C ATOM 1463 C LEU B 86 13.758 8.877 -5.850 1.00 65.33 C ATOM 1464 O LEU B 86 13.948 7.857 -5.223 1.00 30.50 O ATOM 1465 CB LEU B 86 11.603 10.077 -5.454 1.00 32.54 C ATOM 1466 CG LEU B 86 10.792 11.020 -4.573 1.00 41.02 C ATOM 1467 CD1 LEU B 86 9.327 10.956 -4.944 1.00 52.52 C ATOM 1468 CD2 LEU B 86 10.983 10.664 -3.102 1.00 23.21 C ATOM 0 H LEU B 86 13.165 11.901 -6.167 1.00 73.22 H new ATOM 0 HA LEU B 86 13.234 9.968 -4.109 1.00 10.22 H new ATOM 0 HB2 LEU B 86 11.440 10.350 -6.496 1.00 32.54 H new ATOM 0 HB3 LEU B 86 11.218 9.066 -5.326 1.00 32.54 H new ATOM 0 HG LEU B 86 11.146 12.038 -4.734 1.00 41.02 H new ATOM 0 HD11 LEU B 86 8.760 11.635 -4.307 1.00 52.52 H new ATOM 0 HD12 LEU B 86 9.203 11.249 -5.987 1.00 52.52 H new ATOM 0 HD13 LEU B 86 8.961 9.939 -4.807 1.00 52.52 H new ATOM 0 HD21 LEU B 86 10.398 11.345 -2.484 1.00 23.21 H new ATOM 0 HD22 LEU B 86 10.650 9.641 -2.929 1.00 23.21 H new ATOM 0 HD23 LEU B 86 12.038 10.751 -2.840 1.00 23.21 H new ATOM 1480 N ALA B 87 14.149 9.037 -7.103 1.00 4.44 N ATOM 1481 CA ALA B 87 14.844 7.988 -7.824 1.00 14.42 C ATOM 1482 C ALA B 87 16.126 7.622 -7.076 1.00 35.03 C ATOM 1483 O ALA B 87 16.406 6.438 -6.824 1.00 72.55 O ATOM 1484 CB ALA B 87 15.154 8.433 -9.249 1.00 1.41 C ATOM 0 H ALA B 87 13.995 9.889 -7.643 1.00 4.44 H new ATOM 0 HA ALA B 87 14.205 7.107 -7.883 1.00 14.42 H new ATOM 0 HB1 ALA B 87 15.676 7.633 -9.775 1.00 1.41 H new ATOM 0 HB2 ALA B 87 14.224 8.663 -9.769 1.00 1.41 H new ATOM 0 HB3 ALA B 87 15.784 9.322 -9.224 1.00 1.41 H new ATOM 1490 N ALA B 88 16.871 8.639 -6.680 1.00 4.14 N ATOM 1491 CA ALA B 88 18.084 8.458 -5.910 1.00 53.23 C ATOM 1492 C ALA B 88 17.807 7.820 -4.545 1.00 34.22 C ATOM 1493 O ALA B 88 18.492 6.886 -4.148 1.00 30.41 O ATOM 1494 CB ALA B 88 18.788 9.794 -5.730 1.00 24.13 C ATOM 0 H ALA B 88 16.650 9.613 -6.885 1.00 4.14 H new ATOM 0 HA ALA B 88 18.729 7.776 -6.465 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.699 9.650 -5.150 1.00 24.13 H new ATOM 0 HB2 ALA B 88 19.041 10.206 -6.707 1.00 24.13 H new ATOM 0 HB3 ALA B 88 18.129 10.485 -5.204 1.00 24.13 H new ATOM 1500 N LEU B 89 16.790 8.307 -3.846 1.00 71.12 N ATOM 1501 CA LEU B 89 16.472 7.805 -2.507 1.00 42.20 C ATOM 1502 C LEU B 89 15.917 6.386 -2.517 1.00 63.22 C ATOM 1503 O LEU B 89 16.300 5.569 -1.692 1.00 30.24 O ATOM 1504 CB LEU B 89 15.449 8.717 -1.812 1.00 60.54 C ATOM 1505 CG LEU B 89 15.898 10.136 -1.475 1.00 63.34 C ATOM 1506 CD1 LEU B 89 14.728 10.933 -0.932 1.00 60.14 C ATOM 1507 CD2 LEU B 89 17.028 10.111 -0.460 1.00 50.33 C ATOM 0 H LEU B 89 16.171 9.046 -4.178 1.00 71.12 H new ATOM 0 HA LEU B 89 17.416 7.799 -1.963 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.567 8.784 -2.450 1.00 60.54 H new ATOM 0 HB3 LEU B 89 15.137 8.232 -0.887 1.00 60.54 H new ATOM 0 HG LEU B 89 16.262 10.612 -2.386 1.00 63.34 H new ATOM 0 HD11 LEU B 89 15.056 11.945 -0.694 1.00 60.14 H new ATOM 0 HD12 LEU B 89 13.937 10.975 -1.681 1.00 60.14 H new ATOM 0 HD13 LEU B 89 14.348 10.453 -0.030 1.00 60.14 H new ATOM 0 HD21 LEU B 89 17.335 11.132 -0.232 1.00 50.33 H new ATOM 0 HD22 LEU B 89 16.687 9.622 0.453 1.00 50.33 H new ATOM 0 HD23 LEU B 89 17.874 9.561 -0.871 1.00 50.33 H new ATOM 1519 N LEU B 90 15.069 6.082 -3.471 1.00 61.11 N ATOM 1520 CA LEU B 90 14.355 4.808 -3.477 1.00 33.50 C ATOM 1521 C LEU B 90 15.097 3.731 -4.242 1.00 13.04 C ATOM 1522 O LEU B 90 14.643 2.589 -4.287 1.00 54.12 O ATOM 1523 CB LEU B 90 12.975 4.992 -4.108 1.00 1.13 C ATOM 1524 CG LEU B 90 12.123 6.150 -3.579 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.809 6.205 -4.311 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.906 6.051 -2.081 1.00 43.42 C ATOM 0 H LEU B 90 14.850 6.694 -4.257 1.00 61.11 H new ATOM 0 HA LEU B 90 14.269 4.488 -2.439 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.108 5.130 -5.181 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.414 4.068 -3.973 1.00 1.13 H new ATOM 0 HG LEU B 90 12.666 7.077 -3.763 1.00 1.25 H new ATOM 0 HD11 LEU B 90 10.212 7.032 -3.926 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.991 6.354 -5.375 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.270 5.269 -4.162 1.00 24.05 H new ATOM 0 HD21 LEU B 90 11.297 6.891 -1.745 1.00 43.42 H new ATOM 0 HD22 LEU B 90 11.395 5.117 -1.848 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.869 6.075 -1.571 1.00 43.42 H new ATOM 1538 N GLU B 91 16.214 4.104 -4.864 1.00 45.33 N ATOM 1539 CA GLU B 91 17.014 3.179 -5.684 1.00 22.43 C ATOM 1540 C GLU B 91 16.238 2.706 -6.896 1.00 63.31 C ATOM 1541 O GLU B 91 16.423 1.586 -7.385 1.00 72.53 O ATOM 1542 CB GLU B 91 17.543 1.993 -4.868 1.00 34.10 C ATOM 1543 CG GLU B 91 18.620 2.380 -3.896 1.00 74.02 C ATOM 1544 CD GLU B 91 19.806 2.980 -4.599 1.00 63.23 C ATOM 1545 OE1 GLU B 91 20.684 2.227 -5.052 1.00 73.13 O ATOM 1546 OE2 GLU B 91 19.872 4.227 -4.723 1.00 54.24 O ATOM 0 H GLU B 91 16.593 5.050 -4.818 1.00 45.33 H new ATOM 0 HA GLU B 91 17.881 3.737 -6.037 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.716 1.537 -4.323 1.00 34.10 H new ATOM 0 HB3 GLU B 91 17.932 1.236 -5.549 1.00 34.10 H new ATOM 0 HG2 GLU B 91 18.222 3.095 -3.176 1.00 74.02 H new ATOM 0 HG3 GLU B 91 18.936 1.502 -3.332 1.00 74.02 H new ATOM 1553 N VAL B 92 15.406 3.567 -7.406 1.00 33.53 N ATOM 1554 CA VAL B 92 14.631 3.272 -8.570 1.00 2.41 C ATOM 1555 C VAL B 92 15.100 4.178 -9.676 1.00 32.32 C ATOM 1556 O VAL B 92 15.699 5.217 -9.408 1.00 23.34 O ATOM 1557 CB VAL B 92 13.099 3.461 -8.333 1.00 63.23 C ATOM 1558 CG1 VAL B 92 12.601 2.511 -7.262 1.00 12.32 C ATOM 1559 CG2 VAL B 92 12.757 4.905 -7.962 1.00 4.10 C ATOM 0 H VAL B 92 15.247 4.498 -7.022 1.00 33.53 H new ATOM 0 HA VAL B 92 14.774 2.223 -8.831 1.00 2.41 H new ATOM 0 HB VAL B 92 12.594 3.230 -9.271 1.00 63.23 H new ATOM 0 HG11 VAL B 92 11.532 2.659 -7.113 1.00 12.32 H new ATOM 0 HG12 VAL B 92 12.785 1.483 -7.574 1.00 12.32 H new ATOM 0 HG13 VAL B 92 13.128 2.707 -6.328 1.00 12.32 H new ATOM 0 HG21 VAL B 92 11.682 4.996 -7.805 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.282 5.180 -7.047 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.063 5.570 -8.769 1.00 4.10 H new ATOM 1569 N SER B 93 14.873 3.803 -10.884 1.00 35.42 N ATOM 1570 CA SER B 93 15.268 4.624 -11.985 1.00 0.14 C ATOM 1571 C SER B 93 14.202 5.710 -12.243 1.00 54.44 C ATOM 1572 O SER B 93 13.067 5.616 -11.730 1.00 24.14 O ATOM 1573 CB SER B 93 15.503 3.746 -13.199 1.00 23.34 C ATOM 1574 OG SER B 93 16.464 2.718 -12.889 1.00 1.11 O ATOM 0 H SER B 93 14.414 2.929 -11.142 1.00 35.42 H new ATOM 0 HA SER B 93 16.201 5.141 -11.758 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.564 3.293 -13.517 1.00 23.34 H new ATOM 0 HB3 SER B 93 15.862 4.351 -14.031 1.00 23.34 H new ATOM 0 HG SER B 93 16.608 2.156 -13.679 1.00 1.11 H new ATOM 1580 N ARG B 94 14.561 6.728 -13.001 1.00 33.45 N ATOM 1581 CA ARG B 94 13.668 7.847 -13.279 1.00 2.32 C ATOM 1582 C ARG B 94 12.403 7.400 -14.012 1.00 72.10 C ATOM 1583 O ARG B 94 11.322 7.908 -13.746 1.00 61.25 O ATOM 1584 CB ARG B 94 14.400 8.970 -14.015 1.00 73.14 C ATOM 1585 CG ARG B 94 15.586 9.522 -13.225 1.00 54.32 C ATOM 1586 CD ARG B 94 16.301 10.632 -13.965 1.00 53.33 C ATOM 1587 NE ARG B 94 15.485 11.844 -14.088 1.00 21.14 N ATOM 1588 CZ ARG B 94 15.195 12.470 -15.237 1.00 13.43 C ATOM 1589 NH1 ARG B 94 15.630 11.991 -16.398 1.00 20.31 N ATOM 1590 NH2 ARG B 94 14.489 13.590 -15.226 1.00 44.34 N ATOM 0 H ARG B 94 15.477 6.807 -13.443 1.00 33.45 H new ATOM 0 HA ARG B 94 13.340 8.252 -12.321 1.00 2.32 H new ATOM 0 HB2 ARG B 94 14.752 8.598 -14.977 1.00 73.14 H new ATOM 0 HB3 ARG B 94 13.700 9.779 -14.223 1.00 73.14 H new ATOM 0 HG2 ARG B 94 15.236 9.896 -12.263 1.00 54.32 H new ATOM 0 HG3 ARG B 94 16.289 8.715 -13.017 1.00 54.32 H new ATOM 0 HD2 ARG B 94 17.227 10.873 -13.444 1.00 53.33 H new ATOM 0 HD3 ARG B 94 16.577 10.282 -14.960 1.00 53.33 H new ATOM 0 HE ARG B 94 15.107 12.243 -13.229 1.00 21.14 H new ATOM 0 HH11 ARG B 94 16.190 11.139 -16.420 1.00 20.31 H new ATOM 0 HH12 ARG B 94 15.403 12.475 -17.267 1.00 20.31 H new ATOM 0 HH21 ARG B 94 14.164 13.979 -14.341 1.00 44.34 H new ATOM 0 HH22 ARG B 94 14.270 14.064 -16.102 1.00 44.34 H new ATOM 1604 N GLN B 95 12.544 6.407 -14.893 1.00 63.51 N ATOM 1605 CA GLN B 95 11.404 5.820 -15.608 1.00 73.10 C ATOM 1606 C GLN B 95 10.395 5.232 -14.616 1.00 21.43 C ATOM 1607 O GLN B 95 9.180 5.287 -14.841 1.00 63.01 O ATOM 1608 CB GLN B 95 11.887 4.713 -16.568 1.00 14.11 C ATOM 1609 CG GLN B 95 10.781 3.932 -17.288 1.00 34.33 C ATOM 1610 CD GLN B 95 9.963 4.770 -18.257 1.00 13.43 C ATOM 1611 OE1 GLN B 95 10.297 4.873 -19.432 1.00 35.21 O ATOM 1612 NE2 GLN B 95 8.895 5.355 -17.787 1.00 24.53 N ATOM 0 H GLN B 95 13.443 5.989 -15.131 1.00 63.51 H new ATOM 0 HA GLN B 95 10.919 6.609 -16.184 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.535 5.165 -17.318 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.497 4.008 -16.003 1.00 14.11 H new ATOM 0 HG2 GLN B 95 11.232 3.102 -17.832 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.112 3.499 -16.544 1.00 34.33 H new ATOM 0 HE21 GLN B 95 8.646 5.248 -16.804 1.00 24.53 H new ATOM 0 HE22 GLN B 95 8.309 5.919 -18.403 1.00 24.53 H new ATOM 1621 N THR B 96 10.905 4.707 -13.522 1.00 21.22 N ATOM 1622 CA THR B 96 10.097 4.071 -12.527 1.00 0.23 C ATOM 1623 C THR B 96 9.240 5.109 -11.783 1.00 24.14 C ATOM 1624 O THR B 96 8.021 4.979 -11.729 1.00 5.35 O ATOM 1625 CB THR B 96 11.012 3.332 -11.534 1.00 71.41 C ATOM 1626 OG1 THR B 96 11.972 2.555 -12.277 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.209 2.408 -10.635 1.00 50.43 C ATOM 0 H THR B 96 11.902 4.715 -13.305 1.00 21.22 H new ATOM 0 HA THR B 96 9.427 3.359 -13.010 1.00 0.23 H new ATOM 0 HB THR B 96 11.516 4.068 -10.907 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.562 2.081 -11.654 1.00 40.00 H new ATOM 0 HG21 THR B 96 10.881 1.899 -9.944 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.481 2.991 -10.071 1.00 50.43 H new ATOM 0 HG23 THR B 96 9.688 1.670 -11.245 1.00 50.43 H new ATOM 1635 N ILE B 97 9.873 6.168 -11.276 1.00 3.24 N ATOM 1636 CA ILE B 97 9.148 7.207 -10.533 1.00 15.23 C ATOM 1637 C ILE B 97 8.181 7.985 -11.452 1.00 54.43 C ATOM 1638 O ILE B 97 7.024 8.230 -11.086 1.00 12.25 O ATOM 1639 CB ILE B 97 10.117 8.161 -9.742 1.00 61.33 C ATOM 1640 CG1 ILE B 97 9.355 9.279 -9.003 1.00 13.20 C ATOM 1641 CG2 ILE B 97 11.209 8.736 -10.625 1.00 12.10 C ATOM 1642 CD1 ILE B 97 8.403 8.777 -7.936 1.00 15.23 C ATOM 0 H ILE B 97 10.876 6.331 -11.363 1.00 3.24 H new ATOM 0 HA ILE B 97 8.541 6.701 -9.782 1.00 15.23 H new ATOM 0 HB ILE B 97 10.603 7.541 -8.988 1.00 61.33 H new ATOM 0 HG12 ILE B 97 10.077 9.953 -8.543 1.00 13.20 H new ATOM 0 HG13 ILE B 97 8.792 9.863 -9.731 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.851 9.387 -10.032 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.804 7.924 -11.044 1.00 12.10 H new ATOM 0 HG23 ILE B 97 10.758 9.310 -11.434 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.907 9.625 -7.463 1.00 15.23 H new ATOM 0 HD12 ILE B 97 7.656 8.127 -8.391 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.961 8.218 -7.185 1.00 15.23 H new ATOM 1654 N ASN B 98 8.643 8.279 -12.661 1.00 30.33 N ATOM 1655 CA ASN B 98 7.841 8.945 -13.701 1.00 60.42 C ATOM 1656 C ASN B 98 6.617 8.089 -14.037 1.00 3.24 C ATOM 1657 O ASN B 98 5.493 8.589 -14.220 1.00 13.11 O ATOM 1658 CB ASN B 98 8.740 9.151 -14.944 1.00 64.50 C ATOM 1659 CG ASN B 98 8.034 9.594 -16.219 1.00 24.43 C ATOM 1660 OD1 ASN B 98 6.994 10.243 -16.202 1.00 33.15 O ATOM 1661 ND2 ASN B 98 8.625 9.269 -17.341 1.00 74.02 N ATOM 0 H ASN B 98 9.594 8.063 -12.958 1.00 30.33 H new ATOM 0 HA ASN B 98 7.482 9.913 -13.352 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.500 9.893 -14.698 1.00 64.50 H new ATOM 0 HB3 ASN B 98 9.261 8.216 -15.148 1.00 64.50 H new ATOM 0 HD21 ASN B 98 8.221 9.557 -18.232 1.00 74.02 H new ATOM 0 HD22 ASN B 98 9.490 8.728 -17.324 1.00 74.02 H new ATOM 1668 N GLY B 99 6.838 6.799 -14.085 1.00 32.15 N ATOM 1669 CA GLY B 99 5.785 5.865 -14.342 1.00 62.40 C ATOM 1670 C GLY B 99 4.755 5.811 -13.216 1.00 51.22 C ATOM 1671 O GLY B 99 3.557 5.626 -13.472 1.00 73.51 O ATOM 0 H GLY B 99 7.754 6.373 -13.946 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.286 6.134 -15.273 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.212 4.873 -14.485 1.00 62.40 H new ATOM 1675 N ILE B 100 5.218 5.942 -11.978 1.00 55.13 N ATOM 1676 CA ILE B 100 4.345 5.914 -10.802 1.00 14.23 C ATOM 1677 C ILE B 100 3.473 7.172 -10.729 1.00 12.31 C ATOM 1678 O ILE B 100 2.286 7.082 -10.409 1.00 62.21 O ATOM 1679 CB ILE B 100 5.153 5.744 -9.465 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.978 4.441 -9.474 1.00 21.05 C ATOM 1681 CG2 ILE B 100 4.234 5.780 -8.239 1.00 62.42 C ATOM 1682 CD1 ILE B 100 5.164 3.172 -9.656 1.00 51.13 C ATOM 0 H ILE B 100 6.206 6.070 -11.758 1.00 55.13 H new ATOM 0 HA ILE B 100 3.701 5.042 -10.916 1.00 14.23 H new ATOM 0 HB ILE B 100 5.839 6.589 -9.398 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.716 4.500 -10.274 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.530 4.371 -8.537 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.830 5.659 -7.334 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.711 6.736 -8.204 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.507 4.971 -8.305 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.829 2.309 -9.649 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.444 3.082 -8.842 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.633 3.213 -10.607 1.00 51.13 H new ATOM 1694 N GLU B 101 4.047 8.330 -11.080 1.00 42.35 N ATOM 1695 CA GLU B 101 3.306 9.614 -11.044 1.00 14.13 C ATOM 1696 C GLU B 101 2.056 9.579 -11.911 1.00 62.12 C ATOM 1697 O GLU B 101 1.034 10.196 -11.578 1.00 33.44 O ATOM 1698 CB GLU B 101 4.161 10.753 -11.567 1.00 72.22 C ATOM 1699 CG GLU B 101 5.424 11.040 -10.808 1.00 22.14 C ATOM 1700 CD GLU B 101 6.066 12.288 -11.336 1.00 2.35 C ATOM 1701 OE1 GLU B 101 5.588 13.388 -10.991 1.00 12.42 O ATOM 1702 OE2 GLU B 101 7.017 12.218 -12.116 1.00 14.03 O ATOM 0 H GLU B 101 5.015 8.413 -11.391 1.00 42.35 H new ATOM 0 HA GLU B 101 3.037 9.768 -9.999 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.426 10.535 -12.602 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.555 11.659 -11.577 1.00 72.22 H new ATOM 0 HG2 GLU B 101 5.202 11.156 -9.747 1.00 22.14 H new ATOM 0 HG3 GLU B 101 6.112 10.200 -10.900 1.00 22.14 H new ATOM 1709 N LYS B 102 2.141 8.884 -13.008 1.00 72.42 N ATOM 1710 CA LYS B 102 1.029 8.780 -13.920 1.00 3.42 C ATOM 1711 C LYS B 102 0.359 7.425 -13.824 1.00 64.33 C ATOM 1712 O LYS B 102 -0.468 7.093 -14.656 1.00 74.05 O ATOM 1713 CB LYS B 102 1.502 9.037 -15.338 1.00 71.34 C ATOM 1714 CG LYS B 102 2.088 10.419 -15.523 1.00 73.40 C ATOM 1715 CD LYS B 102 2.563 10.613 -16.925 1.00 3.32 C ATOM 1716 CE LYS B 102 3.231 11.963 -17.096 1.00 11.20 C ATOM 1717 NZ LYS B 102 3.767 12.128 -18.455 1.00 30.21 N ATOM 0 H LYS B 102 2.976 8.375 -13.298 1.00 72.42 H new ATOM 0 HA LYS B 102 0.290 9.533 -13.644 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.251 8.292 -15.606 1.00 71.34 H new ATOM 0 HB3 LYS B 102 0.664 8.908 -16.024 1.00 71.34 H new ATOM 0 HG2 LYS B 102 1.338 11.172 -15.282 1.00 73.40 H new ATOM 0 HG3 LYS B 102 2.918 10.562 -14.831 1.00 73.40 H new ATOM 0 HD2 LYS B 102 3.265 9.821 -17.187 1.00 3.32 H new ATOM 0 HD3 LYS B 102 1.720 10.532 -17.612 1.00 3.32 H new ATOM 0 HE2 LYS B 102 2.512 12.755 -16.888 1.00 11.20 H new ATOM 0 HE3 LYS B 102 4.038 12.066 -16.370 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 4.217 13.062 -18.540 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.471 11.386 -18.643 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 2.992 12.054 -19.145 1.00 30.21 H new ATOM 1731 N ASN B 103 0.747 6.644 -12.792 1.00 21.34 N ATOM 1732 CA ASN B 103 0.248 5.256 -12.510 1.00 41.10 C ATOM 1733 C ASN B 103 0.275 4.374 -13.768 1.00 30.41 C ATOM 1734 O ASN B 103 -0.415 3.363 -13.854 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.174 5.237 -11.830 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.365 5.554 -12.748 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -2.741 6.709 -12.925 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -3.005 4.541 -13.274 1.00 15.22 N ATOM 0 H ASN B 103 1.434 6.959 -12.107 1.00 21.34 H new ATOM 0 HA ASN B 103 0.943 4.830 -11.786 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.332 4.252 -11.391 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.172 5.955 -11.010 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.835 4.703 -13.845 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -2.674 3.590 -13.113 1.00 15.22 H new ATOM 1745 N LYS B 104 1.219 4.661 -14.641 1.00 23.05 N ATOM 1746 CA LYS B 104 1.271 4.068 -15.957 1.00 71.21 C ATOM 1747 C LYS B 104 2.164 2.847 -15.906 1.00 63.12 C ATOM 1748 O LYS B 104 2.042 1.914 -16.698 1.00 54.40 O ATOM 1749 CB LYS B 104 1.813 5.127 -16.940 1.00 54.41 C ATOM 1750 CG LYS B 104 1.994 4.671 -18.376 1.00 51.33 C ATOM 1751 CD LYS B 104 0.709 4.146 -18.981 1.00 14.11 C ATOM 1752 CE LYS B 104 0.913 3.774 -20.436 1.00 53.22 C ATOM 1753 NZ LYS B 104 1.993 2.782 -20.624 1.00 30.43 N ATOM 0 H LYS B 104 1.977 5.318 -14.453 1.00 23.05 H new ATOM 0 HA LYS B 104 0.283 3.752 -16.293 1.00 71.21 H new ATOM 0 HB2 LYS B 104 1.135 5.981 -16.933 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.775 5.481 -16.568 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.361 5.504 -18.975 1.00 51.33 H new ATOM 0 HG3 LYS B 104 2.755 3.892 -18.414 1.00 51.33 H new ATOM 0 HD2 LYS B 104 0.368 3.274 -18.422 1.00 14.11 H new ATOM 0 HD3 LYS B 104 -0.072 4.902 -18.900 1.00 14.11 H new ATOM 0 HE2 LYS B 104 -0.017 3.373 -20.838 1.00 53.22 H new ATOM 0 HE3 LYS B 104 1.147 4.672 -21.007 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 1.959 2.411 -21.595 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 2.914 3.236 -20.459 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 1.867 2.000 -19.950 1.00 30.43 H new ATOM 1767 N TYR B 105 3.015 2.847 -14.921 1.00 74.05 N ATOM 1768 CA TYR B 105 3.976 1.794 -14.704 1.00 12.53 C ATOM 1769 C TYR B 105 3.396 0.794 -13.704 1.00 13.41 C ATOM 1770 O TYR B 105 4.038 -0.202 -13.356 1.00 2.12 O ATOM 1771 CB TYR B 105 5.221 2.464 -14.121 1.00 73.50 C ATOM 1772 CG TYR B 105 6.487 1.666 -14.127 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.181 1.496 -15.298 1.00 62.14 C ATOM 1774 CD2 TYR B 105 7.008 1.123 -12.962 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.369 0.801 -15.330 1.00 3.04 C ATOM 1776 CE2 TYR B 105 8.193 0.419 -12.978 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.870 0.261 -14.166 1.00 33.11 C ATOM 1778 OH TYR B 105 10.067 -0.421 -14.189 1.00 24.32 O ATOM 0 H TYR B 105 3.065 3.594 -14.228 1.00 74.05 H new ATOM 0 HA TYR B 105 4.217 1.260 -15.623 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.399 3.387 -14.673 1.00 73.50 H new ATOM 0 HB3 TYR B 105 5.003 2.746 -13.091 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.788 1.915 -16.212 1.00 62.14 H new ATOM 0 HD2 TYR B 105 6.478 1.253 -12.030 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.904 0.680 -16.260 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.587 -0.005 -12.066 1.00 1.32 H new ATOM 0 HH TYR B 105 10.280 -0.738 -13.287 1.00 24.32 H new ATOM 1788 N ASN B 106 2.147 1.066 -13.297 1.00 43.42 N ATOM 1789 CA ASN B 106 1.442 0.355 -12.223 1.00 41.25 C ATOM 1790 C ASN B 106 2.116 0.650 -10.896 1.00 40.41 C ATOM 1791 O ASN B 106 3.290 0.337 -10.707 1.00 21.44 O ATOM 1792 CB ASN B 106 1.333 -1.177 -12.453 1.00 44.44 C ATOM 1793 CG ASN B 106 0.610 -1.887 -11.303 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -0.610 -2.039 -11.318 1.00 64.13 O ATOM 1795 ND2 ASN B 106 1.348 -2.317 -10.305 1.00 53.45 N ATOM 0 H ASN B 106 1.586 1.806 -13.718 1.00 43.42 H new ATOM 0 HA ASN B 106 0.417 0.725 -12.217 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.801 -1.365 -13.385 1.00 44.44 H new ATOM 0 HB3 ASN B 106 2.332 -1.597 -12.566 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.911 -2.791 -9.515 1.00 53.45 H new ATOM 0 HD22 ASN B 106 2.358 -2.177 -10.320 1.00 53.45 H new ATOM 1802 N PRO B 107 1.406 1.279 -9.960 1.00 2.41 N ATOM 1803 CA PRO B 107 1.969 1.611 -8.673 1.00 33.40 C ATOM 1804 C PRO B 107 2.214 0.368 -7.826 1.00 61.13 C ATOM 1805 O PRO B 107 1.305 -0.128 -7.149 1.00 2.50 O ATOM 1806 CB PRO B 107 0.924 2.534 -8.014 1.00 23.24 C ATOM 1807 CG PRO B 107 -0.074 2.833 -9.088 1.00 52.51 C ATOM 1808 CD PRO B 107 0.003 1.695 -10.063 1.00 12.41 C ATOM 0 HA PRO B 107 2.943 2.091 -8.771 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.450 2.046 -7.162 1.00 23.24 H new ATOM 0 HB3 PRO B 107 1.386 3.448 -7.641 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -1.078 2.922 -8.672 1.00 52.51 H new ATOM 0 HG3 PRO B 107 0.153 3.780 -9.577 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.680 0.888 -9.798 1.00 12.41 H new ATOM 0 HD3 PRO B 107 -0.253 2.010 -11.075 1.00 12.41 H new ATOM 1816 N SER B 108 3.398 -0.205 -7.981 1.00 32.11 N ATOM 1817 CA SER B 108 3.830 -1.298 -7.168 1.00 31.54 C ATOM 1818 C SER B 108 3.870 -0.792 -5.741 1.00 35.33 C ATOM 1819 O SER B 108 4.395 0.314 -5.488 1.00 31.14 O ATOM 1820 CB SER B 108 5.211 -1.749 -7.629 1.00 33.24 C ATOM 1821 OG SER B 108 5.209 -1.999 -9.037 1.00 63.24 O ATOM 0 H SER B 108 4.079 0.087 -8.682 1.00 32.11 H new ATOM 0 HA SER B 108 3.159 -2.153 -7.243 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.949 -0.983 -7.390 1.00 33.24 H new ATOM 0 HB3 SER B 108 5.503 -2.652 -7.093 1.00 33.24 H new ATOM 0 HG SER B 108 6.102 -2.286 -9.320 1.00 63.24 H new ATOM 1827 N LEU B 109 3.344 -1.572 -4.823 1.00 41.22 N ATOM 1828 CA LEU B 109 3.155 -1.109 -3.479 1.00 3.42 C ATOM 1829 C LEU B 109 4.469 -0.774 -2.803 1.00 71.35 C ATOM 1830 O LEU B 109 4.562 0.259 -2.207 1.00 31.14 O ATOM 1831 CB LEU B 109 2.247 -2.071 -2.665 1.00 34.44 C ATOM 1832 CG LEU B 109 1.824 -1.658 -1.218 1.00 23.40 C ATOM 1833 CD1 LEU B 109 2.898 -1.990 -0.202 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.447 -0.153 -1.141 1.00 44.53 C ATOM 0 H LEU B 109 3.041 -2.532 -4.990 1.00 41.22 H new ATOM 0 HA LEU B 109 2.612 -0.165 -3.522 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.337 -2.234 -3.242 1.00 34.44 H new ATOM 0 HB3 LEU B 109 2.758 -3.031 -2.599 1.00 34.44 H new ATOM 0 HG LEU B 109 0.938 -2.242 -0.971 1.00 23.40 H new ATOM 0 HD11 LEU B 109 2.566 -1.687 0.791 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.087 -3.063 -0.210 1.00 22.03 H new ATOM 0 HD13 LEU B 109 3.815 -1.458 -0.455 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.158 0.098 -0.120 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.304 0.452 -1.435 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.613 0.048 -1.814 1.00 44.53 H new ATOM 1846 N GLN B 110 5.497 -1.607 -2.966 1.00 2.30 N ATOM 1847 CA GLN B 110 6.815 -1.352 -2.350 1.00 25.44 C ATOM 1848 C GLN B 110 7.357 0.025 -2.775 1.00 14.52 C ATOM 1849 O GLN B 110 7.831 0.806 -1.950 1.00 12.34 O ATOM 1850 CB GLN B 110 7.799 -2.468 -2.763 1.00 43.20 C ATOM 1851 CG GLN B 110 9.222 -2.321 -2.224 1.00 23.12 C ATOM 1852 CD GLN B 110 9.311 -2.387 -0.707 1.00 1.11 C ATOM 1853 OE1 GLN B 110 9.220 -1.380 -0.027 1.00 21.35 O ATOM 1854 NE2 GLN B 110 9.527 -3.565 -0.178 1.00 45.30 N ATOM 0 H GLN B 110 5.451 -2.464 -3.517 1.00 2.30 H new ATOM 0 HA GLN B 110 6.706 -1.351 -1.266 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.399 -3.425 -2.427 1.00 43.20 H new ATOM 0 HB3 GLN B 110 7.843 -2.505 -3.851 1.00 43.20 H new ATOM 0 HG2 GLN B 110 9.845 -3.107 -2.650 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.633 -1.370 -2.562 1.00 23.12 H new ATOM 0 HE21 GLN B 110 9.598 -4.388 -0.777 1.00 45.30 H new ATOM 0 HE22 GLN B 110 9.624 -3.660 0.833 1.00 45.30 H new ATOM 1863 N LEU B 111 7.246 0.313 -4.061 1.00 33.52 N ATOM 1864 CA LEU B 111 7.704 1.583 -4.630 1.00 33.42 C ATOM 1865 C LEU B 111 6.926 2.755 -4.036 1.00 12.12 C ATOM 1866 O LEU B 111 7.507 3.722 -3.561 1.00 53.21 O ATOM 1867 CB LEU B 111 7.534 1.570 -6.154 1.00 75.22 C ATOM 1868 CG LEU B 111 8.227 0.429 -6.904 1.00 12.11 C ATOM 1869 CD1 LEU B 111 7.969 0.541 -8.393 1.00 72.44 C ATOM 1870 CD2 LEU B 111 9.718 0.420 -6.620 1.00 1.23 C ATOM 0 H LEU B 111 6.837 -0.323 -4.746 1.00 33.52 H new ATOM 0 HA LEU B 111 8.759 1.705 -4.385 1.00 33.42 H new ATOM 0 HB2 LEU B 111 6.468 1.530 -6.379 1.00 75.22 H new ATOM 0 HB3 LEU B 111 7.908 2.515 -6.548 1.00 75.22 H new ATOM 0 HG LEU B 111 7.810 -0.514 -6.550 1.00 12.11 H new ATOM 0 HD11 LEU B 111 8.469 -0.277 -8.911 1.00 72.44 H new ATOM 0 HD12 LEU B 111 6.897 0.489 -8.581 1.00 72.44 H new ATOM 0 HD13 LEU B 111 8.356 1.492 -8.759 1.00 72.44 H new ATOM 0 HD21 LEU B 111 10.187 -0.400 -7.164 1.00 1.23 H new ATOM 0 HD22 LEU B 111 10.155 1.366 -6.941 1.00 1.23 H new ATOM 0 HD23 LEU B 111 9.884 0.287 -5.551 1.00 1.23 H new ATOM 1882 N ALA B 112 5.618 2.613 -4.016 1.00 72.35 N ATOM 1883 CA ALA B 112 4.716 3.651 -3.521 1.00 41.10 C ATOM 1884 C ALA B 112 4.905 3.856 -2.018 1.00 44.34 C ATOM 1885 O ALA B 112 4.887 4.982 -1.512 1.00 24.52 O ATOM 1886 CB ALA B 112 3.271 3.294 -3.837 1.00 4.33 C ATOM 0 H ALA B 112 5.140 1.773 -4.343 1.00 72.35 H new ATOM 0 HA ALA B 112 4.957 4.587 -4.025 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.612 4.077 -3.462 1.00 4.33 H new ATOM 0 HB2 ALA B 112 3.147 3.201 -4.916 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.017 2.347 -3.360 1.00 4.33 H new ATOM 1892 N LEU B 113 5.108 2.756 -1.340 1.00 33.43 N ATOM 1893 CA LEU B 113 5.238 2.675 0.095 1.00 23.45 C ATOM 1894 C LEU B 113 6.452 3.460 0.567 1.00 50.21 C ATOM 1895 O LEU B 113 6.384 4.226 1.529 1.00 21.23 O ATOM 1896 CB LEU B 113 5.445 1.216 0.437 1.00 32.41 C ATOM 1897 CG LEU B 113 5.015 0.766 1.785 1.00 61.44 C ATOM 1898 CD1 LEU B 113 3.515 0.972 1.917 1.00 11.43 C ATOM 1899 CD2 LEU B 113 5.381 -0.698 1.966 1.00 70.53 C ATOM 0 H LEU B 113 5.191 1.847 -1.795 1.00 33.43 H new ATOM 0 HA LEU B 113 4.351 3.087 0.576 1.00 23.45 H new ATOM 0 HB2 LEU B 113 4.915 0.617 -0.304 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.506 0.991 0.329 1.00 32.41 H new ATOM 0 HG LEU B 113 5.519 1.345 2.559 1.00 61.44 H new ATOM 0 HD11 LEU B 113 3.188 0.645 2.904 1.00 11.43 H new ATOM 0 HD12 LEU B 113 3.280 2.029 1.789 1.00 11.43 H new ATOM 0 HD13 LEU B 113 2.999 0.391 1.153 1.00 11.43 H new ATOM 0 HD21 LEU B 113 5.067 -1.032 2.955 1.00 70.53 H new ATOM 0 HD22 LEU B 113 4.879 -1.295 1.205 1.00 70.53 H new ATOM 0 HD23 LEU B 113 6.460 -0.818 1.868 1.00 70.53 H new ATOM 1911 N LYS B 114 7.560 3.277 -0.121 1.00 52.33 N ATOM 1912 CA LYS B 114 8.762 3.981 0.231 1.00 54.10 C ATOM 1913 C LYS B 114 8.655 5.476 -0.055 1.00 25.41 C ATOM 1914 O LYS B 114 9.193 6.288 0.692 1.00 42.33 O ATOM 1915 CB LYS B 114 10.052 3.307 -0.273 1.00 63.32 C ATOM 1916 CG LYS B 114 10.118 3.006 -1.755 1.00 23.52 C ATOM 1917 CD LYS B 114 11.396 2.244 -2.095 1.00 64.34 C ATOM 1918 CE LYS B 114 11.450 0.885 -1.395 1.00 3.10 C ATOM 1919 NZ LYS B 114 12.708 0.168 -1.676 1.00 33.32 N ATOM 0 H LYS B 114 7.647 2.650 -0.921 1.00 52.33 H new ATOM 0 HA LYS B 114 8.861 3.907 1.314 1.00 54.10 H new ATOM 0 HB2 LYS B 114 10.895 3.948 -0.016 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.185 2.372 0.272 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.249 2.418 -2.051 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.082 3.936 -2.322 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.457 2.100 -3.174 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.262 2.838 -1.803 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.346 1.027 -0.319 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.606 0.276 -1.719 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 12.703 -0.748 -1.183 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 12.796 0.009 -2.700 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.513 0.736 -1.344 1.00 33.32 H new ATOM 1933 N ILE B 115 7.927 5.838 -1.117 1.00 54.11 N ATOM 1934 CA ILE B 115 7.650 7.254 -1.411 1.00 1.24 C ATOM 1935 C ILE B 115 6.873 7.857 -0.232 1.00 2.41 C ATOM 1936 O ILE B 115 7.205 8.932 0.258 1.00 64.12 O ATOM 1937 CB ILE B 115 6.785 7.431 -2.699 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.478 6.807 -3.909 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.504 8.915 -2.957 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.660 6.835 -5.186 1.00 35.31 C ATOM 0 H ILE B 115 7.521 5.180 -1.783 1.00 54.11 H new ATOM 0 HA ILE B 115 8.606 7.754 -1.568 1.00 1.24 H new ATOM 0 HB ILE B 115 5.837 6.917 -2.543 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.418 7.330 -4.083 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.728 5.772 -3.675 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.900 9.020 -3.858 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.965 9.336 -2.108 1.00 5.22 H new ATOM 0 HG23 ILE B 115 7.447 9.446 -3.088 1.00 5.22 H new ATOM 0 HD11 ILE B 115 7.229 6.372 -5.992 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.731 6.286 -5.035 1.00 35.31 H new ATOM 0 HD13 ILE B 115 6.432 7.868 -5.449 1.00 35.31 H new ATOM 1952 N ALA B 116 5.909 7.097 0.263 1.00 44.20 N ATOM 1953 CA ALA B 116 5.054 7.508 1.377 1.00 11.21 C ATOM 1954 C ALA B 116 5.882 7.723 2.625 1.00 70.10 C ATOM 1955 O ALA B 116 5.650 8.647 3.398 1.00 34.45 O ATOM 1956 CB ALA B 116 4.038 6.431 1.650 1.00 53.40 C ATOM 0 H ALA B 116 5.692 6.168 -0.097 1.00 44.20 H new ATOM 0 HA ALA B 116 4.556 8.440 1.110 1.00 11.21 H new ATOM 0 HB1 ALA B 116 3.400 6.735 2.480 1.00 53.40 H new ATOM 0 HB2 ALA B 116 3.427 6.273 0.761 1.00 53.40 H new ATOM 0 HB3 ALA B 116 4.551 5.504 1.907 1.00 53.40 H new ATOM 1962 N TYR B 117 6.839 6.860 2.800 1.00 50.04 N ATOM 1963 CA TYR B 117 7.734 6.888 3.915 1.00 11.22 C ATOM 1964 C TYR B 117 8.701 8.094 3.844 1.00 40.54 C ATOM 1965 O TYR B 117 8.862 8.820 4.823 1.00 51.22 O ATOM 1966 CB TYR B 117 8.472 5.548 3.961 1.00 31.54 C ATOM 1967 CG TYR B 117 9.568 5.435 4.972 1.00 42.44 C ATOM 1968 CD1 TYR B 117 9.298 5.282 6.320 1.00 73.13 C ATOM 1969 CD2 TYR B 117 10.877 5.467 4.561 1.00 52.31 C ATOM 1970 CE1 TYR B 117 10.322 5.164 7.234 1.00 33.41 C ATOM 1971 CE2 TYR B 117 11.913 5.344 5.460 1.00 14.05 C ATOM 1972 CZ TYR B 117 11.629 5.191 6.797 1.00 45.04 C ATOM 1973 OH TYR B 117 12.655 5.068 7.702 1.00 12.24 O ATOM 0 H TYR B 117 7.022 6.095 2.150 1.00 50.04 H new ATOM 0 HA TYR B 117 7.174 7.023 4.840 1.00 11.22 H new ATOM 0 HB2 TYR B 117 7.743 4.761 4.156 1.00 31.54 H new ATOM 0 HB3 TYR B 117 8.894 5.355 2.975 1.00 31.54 H new ATOM 0 HD1 TYR B 117 8.273 5.255 6.660 1.00 73.13 H new ATOM 0 HD2 TYR B 117 11.099 5.591 3.511 1.00 52.31 H new ATOM 0 HE1 TYR B 117 10.102 5.051 8.285 1.00 33.41 H new ATOM 0 HE2 TYR B 117 12.937 5.367 5.119 1.00 14.05 H new ATOM 0 HH TYR B 117 13.507 5.267 7.260 1.00 12.24 H new ATOM 1983 N TYR B 118 9.313 8.320 2.687 1.00 52.41 N ATOM 1984 CA TYR B 118 10.260 9.438 2.528 1.00 3.45 C ATOM 1985 C TYR B 118 9.577 10.800 2.483 1.00 25.43 C ATOM 1986 O TYR B 118 10.163 11.804 2.872 1.00 40.30 O ATOM 1987 CB TYR B 118 11.199 9.237 1.336 1.00 51.32 C ATOM 1988 CG TYR B 118 12.272 8.202 1.597 1.00 74.11 C ATOM 1989 CD1 TYR B 118 12.061 6.862 1.335 1.00 1.22 C ATOM 1990 CD2 TYR B 118 13.495 8.577 2.123 1.00 25.42 C ATOM 1991 CE1 TYR B 118 13.032 5.922 1.585 1.00 0.00 C ATOM 1992 CE2 TYR B 118 14.473 7.645 2.379 1.00 72.42 C ATOM 1993 CZ TYR B 118 14.236 6.317 2.107 1.00 75.33 C ATOM 1994 OH TYR B 118 15.207 5.378 2.363 1.00 10.50 O ATOM 0 H TYR B 118 9.178 7.755 1.848 1.00 52.41 H new ATOM 0 HA TYR B 118 10.874 9.433 3.429 1.00 3.45 H new ATOM 0 HB2 TYR B 118 10.615 8.935 0.467 1.00 51.32 H new ATOM 0 HB3 TYR B 118 11.671 10.188 1.088 1.00 51.32 H new ATOM 0 HD1 TYR B 118 11.113 6.546 0.925 1.00 1.22 H new ATOM 0 HD2 TYR B 118 13.685 9.619 2.336 1.00 25.42 H new ATOM 0 HE1 TYR B 118 12.848 4.879 1.372 1.00 0.00 H new ATOM 0 HE2 TYR B 118 15.422 7.954 2.791 1.00 72.42 H new ATOM 0 HH TYR B 118 16.001 5.820 2.730 1.00 10.50 H new ATOM 2004 N LEU B 119 8.359 10.827 2.005 1.00 43.52 N ATOM 2005 CA LEU B 119 7.556 12.058 2.011 1.00 35.04 C ATOM 2006 C LEU B 119 6.867 12.228 3.354 1.00 52.42 C ATOM 2007 O LEU B 119 6.335 13.299 3.659 1.00 34.31 O ATOM 2008 CB LEU B 119 6.514 12.084 0.868 1.00 34.25 C ATOM 2009 CG LEU B 119 6.984 12.562 -0.528 1.00 75.05 C ATOM 2010 CD1 LEU B 119 7.291 14.048 -0.520 1.00 30.33 C ATOM 2011 CD2 LEU B 119 8.158 11.763 -1.063 1.00 73.24 C ATOM 0 H LEU B 119 7.887 10.017 1.603 1.00 43.52 H new ATOM 0 HA LEU B 119 8.239 12.891 1.845 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.112 11.077 0.759 1.00 34.25 H new ATOM 0 HB3 LEU B 119 5.690 12.725 1.181 1.00 34.25 H new ATOM 0 HG LEU B 119 6.154 12.384 -1.212 1.00 75.05 H new ATOM 0 HD11 LEU B 119 7.619 14.357 -1.513 1.00 30.33 H new ATOM 0 HD12 LEU B 119 6.394 14.603 -0.245 1.00 30.33 H new ATOM 0 HD13 LEU B 119 8.081 14.252 0.203 1.00 30.33 H new ATOM 0 HD21 LEU B 119 8.441 12.145 -2.044 1.00 73.24 H new ATOM 0 HD22 LEU B 119 9.002 11.855 -0.380 1.00 73.24 H new ATOM 0 HD23 LEU B 119 7.875 10.714 -1.150 1.00 73.24 H new ATOM 2022 N ASN B 120 6.938 11.166 4.162 1.00 23.44 N ATOM 2023 CA ASN B 120 6.281 11.059 5.463 1.00 34.54 C ATOM 2024 C ASN B 120 4.821 11.443 5.342 1.00 23.31 C ATOM 2025 O ASN B 120 4.402 12.553 5.693 1.00 53.04 O ATOM 2026 CB ASN B 120 7.026 11.848 6.569 1.00 0.13 C ATOM 2027 CG ASN B 120 6.423 11.659 7.958 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.734 10.692 8.648 1.00 41.33 O ATOM 2029 ND2 ASN B 120 5.603 12.583 8.391 1.00 61.11 N ATOM 0 H ASN B 120 7.472 10.332 3.918 1.00 23.44 H new ATOM 0 HA ASN B 120 6.323 10.018 5.782 1.00 34.54 H new ATOM 0 HB2 ASN B 120 8.070 11.535 6.588 1.00 0.13 H new ATOM 0 HB3 ASN B 120 7.016 12.909 6.318 1.00 0.13 H new ATOM 0 HD21 ASN B 120 5.203 12.512 9.326 1.00 61.11 H new ATOM 0 HD22 ASN B 120 5.365 13.374 7.793 1.00 61.11 H new ATOM 2036 N THR B 121 4.080 10.585 4.706 1.00 45.02 N ATOM 2037 CA THR B 121 2.701 10.817 4.447 1.00 24.13 C ATOM 2038 C THR B 121 1.966 9.476 4.450 1.00 75.14 C ATOM 2039 O THR B 121 2.467 8.492 3.884 1.00 45.22 O ATOM 2040 CB THR B 121 2.549 11.494 3.057 1.00 33.24 C ATOM 2041 OG1 THR B 121 3.381 12.663 3.000 1.00 22.11 O ATOM 2042 CG2 THR B 121 1.119 11.909 2.803 1.00 53.13 C ATOM 0 H THR B 121 4.426 9.694 4.350 1.00 45.02 H new ATOM 0 HA THR B 121 2.279 11.468 5.213 1.00 24.13 H new ATOM 0 HB THR B 121 2.847 10.772 2.297 1.00 33.24 H new ATOM 0 HG1 THR B 121 2.905 13.381 2.533 1.00 22.11 H new ATOM 0 HG21 THR B 121 1.045 12.380 1.823 1.00 53.13 H new ATOM 0 HG22 THR B 121 0.474 11.031 2.833 1.00 53.13 H new ATOM 0 HG23 THR B 121 0.804 12.617 3.570 1.00 53.13 H new ATOM 2050 N PRO B 122 0.818 9.391 5.136 1.00 2.53 N ATOM 2051 CA PRO B 122 -0.005 8.191 5.128 1.00 62.14 C ATOM 2052 C PRO B 122 -0.474 7.895 3.712 1.00 22.43 C ATOM 2053 O PRO B 122 -0.788 8.829 2.949 1.00 73.34 O ATOM 2054 CB PRO B 122 -1.206 8.565 6.007 1.00 52.13 C ATOM 2055 CG PRO B 122 -0.733 9.702 6.838 1.00 3.21 C ATOM 2056 CD PRO B 122 0.242 10.448 5.984 1.00 22.03 C ATOM 0 HA PRO B 122 0.526 7.308 5.484 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -2.066 8.850 5.401 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -1.518 7.725 6.628 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -1.564 10.342 7.135 1.00 3.21 H new ATOM 0 HG3 PRO B 122 -0.260 9.348 7.754 1.00 3.21 H new ATOM 0 HD2 PRO B 122 -0.249 11.219 5.390 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.005 10.945 6.583 1.00 22.03 H new ATOM 2064 N LEU B 123 -0.518 6.616 3.353 1.00 62.42 N ATOM 2065 CA LEU B 123 -0.953 6.203 2.011 1.00 13.13 C ATOM 2066 C LEU B 123 -2.319 6.760 1.665 1.00 71.12 C ATOM 2067 O LEU B 123 -2.575 7.076 0.520 1.00 53.41 O ATOM 2068 CB LEU B 123 -0.931 4.669 1.815 1.00 34.12 C ATOM 2069 CG LEU B 123 0.431 4.001 1.516 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.063 4.576 0.255 1.00 35.04 C ATOM 2071 CD2 LEU B 123 1.385 4.064 2.692 1.00 13.21 C ATOM 0 H LEU B 123 -0.259 5.844 3.967 1.00 62.42 H new ATOM 0 HA LEU B 123 -0.223 6.627 1.322 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -1.339 4.210 2.716 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -1.610 4.426 0.998 1.00 34.12 H new ATOM 0 HG LEU B 123 0.228 2.945 1.340 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.019 4.086 0.071 1.00 35.04 H new ATOM 0 HD12 LEU B 123 0.400 4.407 -0.594 1.00 35.04 H new ATOM 0 HD13 LEU B 123 1.222 5.647 0.384 1.00 35.04 H new ATOM 0 HD21 LEU B 123 2.324 3.580 2.425 1.00 13.21 H new ATOM 0 HD22 LEU B 123 1.574 5.106 2.951 1.00 13.21 H new ATOM 0 HD23 LEU B 123 0.943 3.552 3.547 1.00 13.21 H new ATOM 2082 N GLU B 124 -3.167 6.911 2.680 1.00 41.15 N ATOM 2083 CA GLU B 124 -4.510 7.468 2.539 1.00 25.13 C ATOM 2084 C GLU B 124 -4.483 8.889 1.971 1.00 23.31 C ATOM 2085 O GLU B 124 -5.389 9.287 1.250 1.00 41.22 O ATOM 2086 CB GLU B 124 -5.176 7.529 3.904 1.00 25.40 C ATOM 2087 CG GLU B 124 -5.204 6.221 4.658 1.00 63.30 C ATOM 2088 CD GLU B 124 -5.825 6.380 6.008 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -5.119 6.817 6.950 1.00 71.30 O ATOM 2090 OE2 GLU B 124 -7.033 6.106 6.151 1.00 53.22 O ATOM 0 H GLU B 124 -2.937 6.646 3.638 1.00 41.15 H new ATOM 0 HA GLU B 124 -5.059 6.822 1.853 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -4.658 8.271 4.512 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -6.200 7.880 3.777 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.762 5.481 4.084 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -4.188 5.840 4.766 1.00 63.30 H new ATOM 2097 N ASP B 125 -3.491 9.673 2.360 1.00 34.01 N ATOM 2098 CA ASP B 125 -3.384 11.041 1.870 1.00 63.41 C ATOM 2099 C ASP B 125 -2.942 11.052 0.416 1.00 42.14 C ATOM 2100 O ASP B 125 -3.450 11.825 -0.400 1.00 72.41 O ATOM 2101 CB ASP B 125 -2.454 11.895 2.754 1.00 22.41 C ATOM 2102 CG ASP B 125 -2.443 13.367 2.358 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -3.532 13.963 2.209 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -1.357 13.969 2.245 1.00 14.52 O ATOM 0 H ASP B 125 -2.754 9.391 3.007 1.00 34.01 H new ATOM 0 HA ASP B 125 -4.373 11.496 1.927 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.768 11.806 3.794 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -1.440 11.500 2.693 1.00 22.41 H new ATOM 2109 N ILE B 126 -2.015 10.158 0.108 1.00 25.13 N ATOM 2110 CA ILE B 126 -1.438 10.047 -1.223 1.00 73.13 C ATOM 2111 C ILE B 126 -2.446 9.460 -2.208 1.00 51.12 C ATOM 2112 O ILE B 126 -2.730 10.044 -3.257 1.00 44.15 O ATOM 2113 CB ILE B 126 -0.132 9.207 -1.229 1.00 50.03 C ATOM 2114 CG1 ILE B 126 0.873 9.797 -0.232 1.00 75.01 C ATOM 2115 CG2 ILE B 126 0.471 9.178 -2.635 1.00 14.41 C ATOM 2116 CD1 ILE B 126 2.181 9.044 -0.147 1.00 50.54 C ATOM 0 H ILE B 126 -1.640 9.486 0.777 1.00 25.13 H new ATOM 0 HA ILE B 126 -1.181 11.058 -1.539 1.00 73.13 H new ATOM 0 HB ILE B 126 -0.367 8.185 -0.930 1.00 50.03 H new ATOM 0 HG12 ILE B 126 1.080 10.830 -0.511 1.00 75.01 H new ATOM 0 HG13 ILE B 126 0.415 9.819 0.757 1.00 75.01 H new ATOM 0 HG21 ILE B 126 1.386 8.586 -2.626 1.00 14.41 H new ATOM 0 HG22 ILE B 126 -0.243 8.732 -3.328 1.00 14.41 H new ATOM 0 HG23 ILE B 126 0.700 10.195 -2.954 1.00 14.41 H new ATOM 0 HD11 ILE B 126 2.833 9.528 0.580 1.00 50.54 H new ATOM 0 HD12 ILE B 126 1.990 8.017 0.164 1.00 50.54 H new ATOM 0 HD13 ILE B 126 2.665 9.043 -1.124 1.00 50.54 H new ATOM 2128 N PHE B 127 -2.982 8.316 -1.881 1.00 35.15 N ATOM 2129 CA PHE B 127 -3.939 7.688 -2.739 1.00 22.52 C ATOM 2130 C PHE B 127 -5.285 7.685 -2.065 1.00 61.31 C ATOM 2131 O PHE B 127 -5.393 7.428 -0.873 1.00 64.35 O ATOM 2132 CB PHE B 127 -3.520 6.231 -3.066 1.00 0.12 C ATOM 2133 CG PHE B 127 -2.216 6.096 -3.802 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -2.159 6.264 -5.175 1.00 71.31 C ATOM 2135 CD2 PHE B 127 -1.052 5.782 -3.121 1.00 50.52 C ATOM 2136 CE1 PHE B 127 -0.963 6.125 -5.854 1.00 50.13 C ATOM 2137 CE2 PHE B 127 0.147 5.643 -3.793 1.00 53.10 C ATOM 2138 CZ PHE B 127 0.191 5.814 -5.161 1.00 22.32 C ATOM 0 H PHE B 127 -2.770 7.802 -1.026 1.00 35.15 H new ATOM 0 HA PHE B 127 -3.989 8.249 -3.672 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -3.454 5.670 -2.134 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -4.306 5.768 -3.662 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -3.059 6.506 -5.721 1.00 71.31 H new ATOM 0 HD2 PHE B 127 -1.082 5.644 -2.050 1.00 50.52 H new ATOM 0 HE1 PHE B 127 -0.931 6.259 -6.925 1.00 50.13 H new ATOM 0 HE2 PHE B 127 1.048 5.401 -3.249 1.00 53.10 H new ATOM 0 HZ PHE B 127 1.126 5.705 -5.690 1.00 22.32 H new ATOM 2148 N GLN B 128 -6.297 7.937 -2.825 1.00 72.24 N ATOM 2149 CA GLN B 128 -7.633 7.897 -2.329 1.00 2.15 C ATOM 2150 C GLN B 128 -8.253 6.690 -2.940 1.00 41.21 C ATOM 2151 O GLN B 128 -8.287 6.559 -4.170 1.00 54.12 O ATOM 2152 CB GLN B 128 -8.379 9.167 -2.734 1.00 43.12 C ATOM 2153 CG GLN B 128 -9.770 9.302 -2.144 1.00 54.21 C ATOM 2154 CD GLN B 128 -10.399 10.630 -2.494 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -10.221 11.611 -1.782 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -11.144 10.680 -3.560 1.00 41.41 N ATOM 0 H GLN B 128 -6.221 8.178 -3.813 1.00 72.24 H new ATOM 0 HA GLN B 128 -7.667 7.846 -1.241 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -7.787 10.031 -2.434 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -8.456 9.196 -3.821 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -10.401 8.493 -2.511 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -9.717 9.199 -1.060 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -11.272 9.845 -4.132 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -11.599 11.554 -3.823 1.00 41.41 H new ATOM 2165 N TRP B 129 -8.762 5.825 -2.139 1.00 13.44 N ATOM 2166 CA TRP B 129 -9.190 4.578 -2.655 1.00 61.35 C ATOM 2167 C TRP B 129 -10.643 4.287 -2.528 1.00 61.52 C ATOM 2168 O TRP B 129 -11.240 4.405 -1.455 1.00 24.43 O ATOM 2169 CB TRP B 129 -8.338 3.431 -2.142 1.00 14.01 C ATOM 2170 CG TRP B 129 -8.063 3.403 -0.653 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -8.922 3.068 0.364 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -6.796 3.649 -0.043 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -8.257 3.122 1.571 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -6.949 3.467 1.341 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -5.542 4.009 -0.545 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -5.891 3.633 2.228 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -4.500 4.169 0.329 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -4.674 3.981 1.699 1.00 31.53 C ATOM 0 H TRP B 129 -8.891 5.955 -1.136 1.00 13.44 H new ATOM 0 HA TRP B 129 -9.035 4.674 -3.730 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -8.826 2.495 -2.416 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -7.382 3.457 -2.665 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -9.961 2.802 0.238 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -8.670 2.936 2.485 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -5.397 4.158 -1.605 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -6.022 3.494 3.291 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -3.527 4.445 -0.050 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -3.830 4.112 2.360 1.00 31.53 H new ATOM 2189 N GLN B 130 -11.210 3.940 -3.648 1.00 35.50 N ATOM 2190 CA GLN B 130 -12.547 3.461 -3.731 1.00 11.44 C ATOM 2191 C GLN B 130 -12.465 2.105 -4.393 1.00 30.22 C ATOM 2192 O GLN B 130 -12.159 2.029 -5.585 1.00 33.31 O ATOM 2193 CB GLN B 130 -13.421 4.391 -4.590 1.00 44.22 C ATOM 2194 CG GLN B 130 -13.469 5.832 -4.116 1.00 32.13 C ATOM 2195 CD GLN B 130 -13.947 5.962 -2.686 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -14.721 5.142 -2.187 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -13.518 6.996 -2.026 1.00 53.21 N ATOM 0 H GLN B 130 -10.736 3.986 -4.550 1.00 35.50 H new ATOM 0 HA GLN B 130 -12.997 3.415 -2.739 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -13.050 4.372 -5.615 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -14.437 3.996 -4.611 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -12.476 6.272 -4.204 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -14.130 6.403 -4.769 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.878 7.655 -2.470 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.821 7.149 -1.064 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.686 1.014 -3.644 1.00 63.05 N ATOM 2207 CA PRO B 131 -12.629 -0.386 -4.169 1.00 13.14 C ATOM 2208 C PRO B 131 -13.858 -0.707 -5.038 1.00 44.11 C ATOM 2209 O PRO B 131 -14.449 -1.784 -4.967 1.00 4.41 O ATOM 2210 CB PRO B 131 -12.647 -1.233 -2.881 1.00 11.15 C ATOM 2211 CG PRO B 131 -12.409 -0.269 -1.772 1.00 34.32 C ATOM 2212 CD PRO B 131 -13.004 1.022 -2.223 1.00 62.43 C ATOM 0 HA PRO B 131 -11.762 -0.568 -4.804 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -13.602 -1.744 -2.760 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -11.875 -2.002 -2.906 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.874 -0.613 -0.848 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -11.343 -0.160 -1.571 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -14.079 1.062 -2.044 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -12.564 1.877 -1.710 1.00 62.43 H new