USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 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 10 GLN : amide:sc= 0.944 K(o=1.6,f=-1.4) USER MOD Set 1.2: A 103 SER OG : rot -142:sc= 0.624 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -122:sc= 0.0637 (180deg=-0.66) USER MOD Set 2.2: A 68 SER OG : rot -13:sc= 0.525 USER MOD Set 3.1: A 20 THR OG1 : rot 63:sc= -0.361 USER MOD Set 3.2: A 108 MET CE :methyl -141:sc= -0.0275 (180deg=-0.43) USER MOD Single : A 1 PHE N :NH3+ -169:sc=-0.00931 (180deg=-0.128) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 120:sc= -4.15! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 160:sc= -0.833 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00461 USER MOD Single : A 27 SER OG : rot -160:sc= -1.13 USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= -0.519 (180deg=-1.55!) USER MOD Single : A 29 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.0037) USER MOD Single : A 30 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.13 K(o=-3.1,f=-6.7!) USER MOD Single : A 37 LYS NZ :NH3+ -129:sc=-0.00416 (180deg=-0.0833) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.222 (180deg=-0.972) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 137:sc= -4.3! (180deg=-8.93!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.12 K(o=-2.1,f=-8.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -156:sc= -2.89! (180deg=-4.47!) USER MOD Single : A 73 THR OG1 : rot 58:sc= -5.87! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -100:sc= -1.18 USER MOD Single : A 83 SER OG : rot -58:sc= 1.11 USER MOD Single : A 84 ASN : amide:sc= -0.056 K(o=-0.056,f=-0.61) USER MOD Single : A 87 ASN : amide:sc= -4.95! C(o=-5!,f=-7.1!) USER MOD Single : A 92 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 97 ASN : amide:sc= -6.48 K(o=-6.5,f=-13!) USER MOD Single : A 98 THR OG1 : rot -76:sc= -0.0576 USER MOD Single : A 106 SER OG : rot 65:sc= 0.677 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 73:sc= 0.838 USER MOD Single : A 112 HIS : no HE2:sc= -4.54! C(o=-4.5!,f=-12!) USER MOD Single : A 118 CYS SG : rot 180:sc= -0.162 USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.474 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 25.402 6.707 16.606 1.00 0.00 N ATOM 2 CA PHE A 1 26.587 5.892 16.981 1.00 0.00 C ATOM 3 C PHE A 1 26.467 5.370 18.410 1.00 0.00 C ATOM 4 O PHE A 1 26.890 4.254 18.710 1.00 0.00 O ATOM 5 CB PHE A 1 27.840 6.759 16.840 1.00 0.00 C ATOM 6 CG PHE A 1 29.034 6.009 16.324 1.00 0.00 C ATOM 7 CD1 PHE A 1 29.264 5.902 14.961 1.00 0.00 C ATOM 8 CD2 PHE A 1 29.927 5.412 17.199 1.00 0.00 C ATOM 9 CE1 PHE A 1 30.362 5.212 14.482 1.00 0.00 C ATOM 10 CE2 PHE A 1 31.026 4.722 16.727 1.00 0.00 C ATOM 11 CZ PHE A 1 31.244 4.621 15.366 1.00 0.00 C ATOM 0 H1 PHE A 1 25.418 6.892 15.583 1.00 0.00 H new ATOM 0 H2 PHE A 1 24.533 6.190 16.851 1.00 0.00 H new ATOM 0 H3 PHE A 1 25.424 7.610 17.122 1.00 0.00 H new ATOM 0 HA PHE A 1 26.651 5.028 16.319 1.00 0.00 H new ATOM 0 HB2 PHE A 1 27.624 7.589 16.167 1.00 0.00 H new ATOM 0 HB3 PHE A 1 28.084 7.191 17.811 1.00 0.00 H new ATOM 0 HD1 PHE A 1 28.578 6.363 14.266 1.00 0.00 H new ATOM 0 HD2 PHE A 1 29.761 5.487 18.264 1.00 0.00 H new ATOM 0 HE1 PHE A 1 30.530 5.135 13.418 1.00 0.00 H new ATOM 0 HE2 PHE A 1 31.714 4.262 17.420 1.00 0.00 H new ATOM 0 HZ PHE A 1 32.102 4.081 14.994 1.00 0.00 H new ATOM 22 N ALA A 2 25.888 6.184 19.285 1.00 0.00 N ATOM 23 CA ALA A 2 25.712 5.804 20.681 1.00 0.00 C ATOM 24 C ALA A 2 24.321 6.180 21.182 1.00 0.00 C ATOM 25 O ALA A 2 23.815 7.263 20.884 1.00 0.00 O ATOM 26 CB ALA A 2 26.779 6.460 21.545 1.00 0.00 C ATOM 0 H ALA A 2 25.533 7.111 19.052 1.00 0.00 H new ATOM 0 HA ALA A 2 25.816 4.721 20.752 1.00 0.00 H new ATOM 0 HB1 ALA A 2 26.635 6.167 22.585 1.00 0.00 H new ATOM 0 HB2 ALA A 2 27.766 6.139 21.211 1.00 0.00 H new ATOM 0 HB3 ALA A 2 26.701 7.544 21.459 1.00 0.00 H new ATOM 32 N LYS A 3 23.707 5.280 21.942 1.00 0.00 N ATOM 33 CA LYS A 3 22.375 5.517 22.484 1.00 0.00 C ATOM 34 C LYS A 3 21.361 5.727 21.364 1.00 0.00 C ATOM 35 O LYS A 3 20.998 6.860 21.046 1.00 0.00 O ATOM 36 CB LYS A 3 22.387 6.733 23.412 1.00 0.00 C ATOM 37 CG LYS A 3 23.079 6.478 24.741 1.00 0.00 C ATOM 38 CD LYS A 3 23.218 7.756 25.551 1.00 0.00 C ATOM 39 CE LYS A 3 22.032 7.956 26.482 1.00 0.00 C ATOM 40 NZ LYS A 3 22.318 7.464 27.858 1.00 0.00 N ATOM 0 H LYS A 3 24.111 4.379 22.197 1.00 0.00 H new ATOM 0 HA LYS A 3 22.081 4.636 23.055 1.00 0.00 H new ATOM 0 HB2 LYS A 3 22.884 7.561 22.906 1.00 0.00 H new ATOM 0 HB3 LYS A 3 21.360 7.046 23.601 1.00 0.00 H new ATOM 0 HG2 LYS A 3 22.512 5.744 25.313 1.00 0.00 H new ATOM 0 HG3 LYS A 3 24.065 6.050 24.563 1.00 0.00 H new ATOM 0 HD2 LYS A 3 24.138 7.720 26.134 1.00 0.00 H new ATOM 0 HD3 LYS A 3 23.301 8.608 24.877 1.00 0.00 H new ATOM 0 HE2 LYS A 3 21.775 9.015 26.521 1.00 0.00 H new ATOM 0 HE3 LYS A 3 21.164 7.432 26.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 21.485 7.618 28.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 22.538 6.448 27.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 23.130 7.982 28.250 1.00 0.00 H new ATOM 54 N LEU A 4 20.909 4.629 20.767 1.00 0.00 N ATOM 55 CA LEU A 4 19.937 4.693 19.682 1.00 0.00 C ATOM 56 C LEU A 4 18.567 4.213 20.149 1.00 0.00 C ATOM 57 O LEU A 4 18.415 3.074 20.592 1.00 0.00 O ATOM 58 CB LEU A 4 20.410 3.850 18.496 1.00 0.00 C ATOM 59 CG LEU A 4 20.034 4.400 17.120 1.00 0.00 C ATOM 60 CD1 LEU A 4 18.534 4.633 17.029 1.00 0.00 C ATOM 61 CD2 LEU A 4 20.793 5.688 16.837 1.00 0.00 C ATOM 0 H LEU A 4 21.201 3.684 21.017 1.00 0.00 H new ATOM 0 HA LEU A 4 19.849 5.733 19.367 1.00 0.00 H new ATOM 0 HB2 LEU A 4 21.494 3.754 18.548 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.996 2.847 18.595 1.00 0.00 H new ATOM 0 HG LEU A 4 20.312 3.663 16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 4 18.286 5.025 16.042 1.00 0.00 H new ATOM 0 HD12 LEU A 4 18.009 3.691 17.188 1.00 0.00 H new ATOM 0 HD13 LEU A 4 18.230 5.351 17.791 1.00 0.00 H new ATOM 0 HD21 LEU A 4 20.514 6.066 15.854 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.545 6.431 17.595 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.865 5.491 16.859 1.00 0.00 H new ATOM 73 N VAL A 5 17.573 5.089 20.049 1.00 0.00 N ATOM 74 CA VAL A 5 16.215 4.754 20.460 1.00 0.00 C ATOM 75 C VAL A 5 15.302 4.579 19.252 1.00 0.00 C ATOM 76 O VAL A 5 15.371 5.345 18.292 1.00 0.00 O ATOM 77 CB VAL A 5 15.624 5.838 21.382 1.00 0.00 C ATOM 78 CG1 VAL A 5 14.294 5.380 21.961 1.00 0.00 C ATOM 79 CG2 VAL A 5 16.605 6.187 22.492 1.00 0.00 C ATOM 0 H VAL A 5 17.683 6.036 19.687 1.00 0.00 H new ATOM 0 HA VAL A 5 16.274 3.813 21.007 1.00 0.00 H new ATOM 0 HB VAL A 5 15.446 6.736 20.790 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.892 6.159 22.609 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.592 5.185 21.150 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.444 4.468 22.539 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.171 6.954 23.133 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.817 5.296 23.084 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.531 6.561 22.055 1.00 0.00 H new ATOM 89 N ARG A 6 14.446 3.563 19.307 1.00 0.00 N ATOM 90 CA ARG A 6 13.517 3.287 18.216 1.00 0.00 C ATOM 91 C ARG A 6 12.247 2.622 18.739 1.00 0.00 C ATOM 92 O ARG A 6 12.138 1.396 18.753 1.00 0.00 O ATOM 93 CB ARG A 6 14.182 2.393 17.169 1.00 0.00 C ATOM 94 CG ARG A 6 14.934 1.213 17.764 1.00 0.00 C ATOM 95 CD ARG A 6 15.165 0.121 16.732 1.00 0.00 C ATOM 96 NE ARG A 6 13.991 -0.731 16.565 1.00 0.00 N ATOM 97 CZ ARG A 6 13.800 -1.536 15.521 1.00 0.00 C ATOM 98 NH1 ARG A 6 14.702 -1.599 14.550 1.00 0.00 N ATOM 99 NH2 ARG A 6 12.704 -2.278 15.449 1.00 0.00 N ATOM 0 H ARG A 6 14.376 2.918 20.094 1.00 0.00 H new ATOM 0 HA ARG A 6 13.244 4.235 17.753 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.420 2.020 16.485 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.874 2.993 16.578 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.892 1.552 18.157 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.370 0.807 18.604 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.422 0.575 15.775 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.016 -0.489 17.034 1.00 0.00 H new ATOM 0 HE ARG A 6 13.275 -0.708 17.291 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.547 -1.029 14.601 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.551 -2.217 13.753 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.007 -2.232 16.193 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.557 -2.895 14.650 1.00 0.00 H new ATOM 113 N PRO A 7 11.263 3.427 19.177 1.00 0.00 N ATOM 114 CA PRO A 7 9.994 2.910 19.701 1.00 0.00 C ATOM 115 C PRO A 7 9.128 2.285 18.610 1.00 0.00 C ATOM 116 O PRO A 7 9.402 2.445 17.421 1.00 0.00 O ATOM 117 CB PRO A 7 9.314 4.153 20.278 1.00 0.00 C ATOM 118 CG PRO A 7 9.892 5.291 19.509 1.00 0.00 C ATOM 119 CD PRO A 7 11.309 4.902 19.195 1.00 0.00 C ATOM 0 HA PRO A 7 10.148 2.116 20.431 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.232 4.104 20.159 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.513 4.254 21.345 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.326 5.472 18.595 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.860 6.212 20.092 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.633 5.306 18.236 1.00 0.00 H new ATOM 0 HD3 PRO A 7 12.004 5.273 19.948 1.00 0.00 H new ATOM 127 N PRO A 8 8.066 1.561 19.004 1.00 0.00 N ATOM 128 CA PRO A 8 7.158 0.911 18.054 1.00 0.00 C ATOM 129 C PRO A 8 6.308 1.916 17.285 1.00 0.00 C ATOM 130 O PRO A 8 5.621 2.747 17.880 1.00 0.00 O ATOM 131 CB PRO A 8 6.275 0.036 18.945 1.00 0.00 C ATOM 132 CG PRO A 8 6.302 0.704 20.276 1.00 0.00 C ATOM 133 CD PRO A 8 7.667 1.319 20.403 1.00 0.00 C ATOM 0 HA PRO A 8 7.700 0.353 17.290 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.259 -0.029 18.555 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.659 -0.982 19.005 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.524 1.464 20.347 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.121 -0.013 21.076 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.639 2.244 20.978 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.363 0.650 20.909 1.00 0.00 H new ATOM 141 N VAL A 9 6.358 1.836 15.959 1.00 0.00 N ATOM 142 CA VAL A 9 5.593 2.739 15.109 1.00 0.00 C ATOM 143 C VAL A 9 4.900 1.981 13.981 1.00 0.00 C ATOM 144 O VAL A 9 5.371 1.966 12.844 1.00 0.00 O ATOM 145 CB VAL A 9 6.487 3.839 14.506 1.00 0.00 C ATOM 146 CG1 VAL A 9 7.031 4.744 15.600 1.00 0.00 C ATOM 147 CG2 VAL A 9 7.622 3.225 13.700 1.00 0.00 C ATOM 0 H VAL A 9 6.921 1.154 15.450 1.00 0.00 H new ATOM 0 HA VAL A 9 4.839 3.205 15.743 1.00 0.00 H new ATOM 0 HB VAL A 9 5.880 4.444 13.832 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.660 5.515 15.155 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.202 5.213 16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.621 4.153 16.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.242 4.018 13.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.229 2.593 14.349 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.209 2.623 12.891 1.00 0.00 H new ATOM 157 N GLN A 10 3.772 1.362 14.305 1.00 0.00 N ATOM 158 CA GLN A 10 2.997 0.609 13.325 1.00 0.00 C ATOM 159 C GLN A 10 1.504 0.694 13.641 1.00 0.00 C ATOM 160 O GLN A 10 0.715 -0.132 13.182 1.00 0.00 O ATOM 161 CB GLN A 10 3.445 -0.853 13.302 1.00 0.00 C ATOM 162 CG GLN A 10 3.621 -1.458 14.685 1.00 0.00 C ATOM 163 CD GLN A 10 3.709 -2.970 14.653 1.00 0.00 C ATOM 164 OE1 GLN A 10 3.906 -3.570 13.597 1.00 0.00 O ATOM 165 NE2 GLN A 10 3.563 -3.596 15.815 1.00 0.00 N ATOM 0 H GLN A 10 3.371 1.366 15.243 1.00 0.00 H new ATOM 0 HA GLN A 10 3.171 1.046 12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.712 -1.440 12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.388 -0.927 12.760 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.525 -1.055 15.141 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.785 -1.160 15.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.401 -3.059 16.667 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.613 -4.614 15.856 1.00 0.00 H new ATOM 174 N ILE A 11 1.131 1.697 14.432 1.00 0.00 N ATOM 175 CA ILE A 11 -0.257 1.901 14.827 1.00 0.00 C ATOM 176 C ILE A 11 -0.482 3.360 15.222 1.00 0.00 C ATOM 177 O ILE A 11 0.269 3.918 16.020 1.00 0.00 O ATOM 178 CB ILE A 11 -0.624 0.997 16.015 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.718 -0.466 15.574 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.930 1.447 16.653 1.00 0.00 C ATOM 181 CD1 ILE A 11 -1.755 -0.710 14.498 1.00 0.00 C ATOM 0 H ILE A 11 1.779 2.386 14.814 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.890 1.647 13.977 1.00 0.00 H new ATOM 0 HB ILE A 11 0.167 1.080 16.760 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.256 -0.790 15.208 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.954 -1.083 16.441 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.170 0.793 17.491 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.826 2.472 17.010 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.731 1.399 15.915 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.765 -1.768 14.236 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.738 -0.418 14.867 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.509 -0.120 13.615 1.00 0.00 H new ATOM 193 N TYR A 12 -1.503 3.980 14.639 1.00 0.00 N ATOM 194 CA TYR A 12 -1.799 5.382 14.918 1.00 0.00 C ATOM 195 C TYR A 12 -3.284 5.673 14.729 1.00 0.00 C ATOM 196 O TYR A 12 -3.997 5.955 15.691 1.00 0.00 O ATOM 197 CB TYR A 12 -0.961 6.292 14.003 1.00 0.00 C ATOM 198 CG TYR A 12 0.388 5.706 13.627 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.473 4.508 12.928 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.573 6.336 13.987 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.689 3.957 12.597 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.797 5.792 13.655 1.00 0.00 C ATOM 203 CZ TYR A 12 2.851 4.603 12.960 1.00 0.00 C ATOM 204 OH TYR A 12 4.068 4.062 12.624 1.00 0.00 O ATOM 0 H TYR A 12 -2.137 3.537 13.974 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.540 5.586 15.957 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.525 6.495 13.093 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.805 7.249 14.502 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.435 3.999 12.639 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.536 7.266 14.535 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.733 3.023 12.056 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.709 6.296 13.939 1.00 0.00 H new ATOM 0 HH TYR A 12 4.562 4.693 12.059 1.00 0.00 H new ATOM 214 N GLY A 13 -3.744 5.600 13.484 1.00 0.00 N ATOM 215 CA GLY A 13 -5.143 5.857 13.198 1.00 0.00 C ATOM 216 C GLY A 13 -5.366 6.411 11.805 1.00 0.00 C ATOM 217 O GLY A 13 -5.870 5.712 10.926 1.00 0.00 O ATOM 0 H GLY A 13 -3.174 5.368 12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.708 4.932 13.311 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.536 6.561 13.931 1.00 0.00 H new ATOM 221 N ILE A 14 -4.992 7.671 11.602 1.00 0.00 N ATOM 222 CA ILE A 14 -5.159 8.315 10.305 1.00 0.00 C ATOM 223 C ILE A 14 -4.468 7.518 9.202 1.00 0.00 C ATOM 224 O ILE A 14 -5.042 7.287 8.138 1.00 0.00 O ATOM 225 CB ILE A 14 -4.617 9.762 10.320 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.091 10.528 9.078 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.097 9.772 10.417 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.410 10.106 7.791 1.00 0.00 C ATOM 0 H ILE A 14 -4.572 8.264 12.318 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.229 8.347 10.099 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.012 10.265 11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.167 10.391 8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.920 11.593 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.740 10.802 10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.788 9.273 11.335 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.674 9.249 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.802 10.695 6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.336 10.270 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.602 9.049 7.607 1.00 0.00 H new ATOM 240 N GLU A 15 -3.237 7.094 9.465 1.00 0.00 N ATOM 241 CA GLU A 15 -2.481 6.316 8.494 1.00 0.00 C ATOM 242 C GLU A 15 -3.050 4.910 8.381 1.00 0.00 C ATOM 243 O GLU A 15 -3.068 4.322 7.301 1.00 0.00 O ATOM 244 CB GLU A 15 -1.002 6.263 8.883 1.00 0.00 C ATOM 245 CG GLU A 15 -0.120 7.179 8.050 1.00 0.00 C ATOM 246 CD GLU A 15 0.910 7.915 8.885 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.664 7.246 9.622 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.963 9.160 8.800 1.00 0.00 O ATOM 0 H GLU A 15 -2.744 7.276 10.339 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.565 6.803 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.902 6.533 9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.645 5.238 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.390 6.591 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.745 7.904 7.529 1.00 0.00 H new ATOM 255 N GLY A 16 -3.531 4.381 9.499 1.00 0.00 N ATOM 256 CA GLY A 16 -4.114 3.057 9.491 1.00 0.00 C ATOM 257 C GLY A 16 -5.452 3.048 8.787 1.00 0.00 C ATOM 258 O GLY A 16 -5.833 2.053 8.173 1.00 0.00 O ATOM 0 H GLY A 16 -3.527 4.845 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.436 2.362 8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.238 2.706 10.515 1.00 0.00 H new ATOM 262 N ARG A 17 -6.162 4.170 8.869 1.00 0.00 N ATOM 263 CA ARG A 17 -7.464 4.301 8.229 1.00 0.00 C ATOM 264 C ARG A 17 -7.333 4.209 6.715 1.00 0.00 C ATOM 265 O ARG A 17 -8.282 3.841 6.028 1.00 0.00 O ATOM 266 CB ARG A 17 -8.118 5.627 8.618 1.00 0.00 C ATOM 267 CG ARG A 17 -8.959 5.544 9.882 1.00 0.00 C ATOM 268 CD ARG A 17 -9.860 6.758 10.033 1.00 0.00 C ATOM 269 NE ARG A 17 -11.107 6.433 10.722 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.100 5.739 10.169 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.995 5.296 8.922 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.200 5.487 10.865 1.00 0.00 N ATOM 0 H ARG A 17 -5.855 5.002 9.374 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.095 3.481 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.341 6.378 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.747 5.967 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.567 4.640 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.305 5.465 10.751 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.332 7.535 10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.086 7.166 9.048 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.224 6.756 11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.151 5.487 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.759 4.765 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.285 5.825 11.824 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.961 4.955 10.442 1.00 0.00 H new ATOM 286 N TYR A 18 -6.152 4.537 6.193 1.00 0.00 N ATOM 287 CA TYR A 18 -5.921 4.472 4.755 1.00 0.00 C ATOM 288 C TYR A 18 -6.184 3.065 4.242 1.00 0.00 C ATOM 289 O TYR A 18 -6.968 2.865 3.314 1.00 0.00 O ATOM 290 CB TYR A 18 -4.484 4.883 4.427 1.00 0.00 C ATOM 291 CG TYR A 18 -4.360 6.274 3.853 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.822 7.378 4.555 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.777 6.481 2.610 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.706 8.651 4.035 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.656 7.750 2.082 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.123 8.834 2.797 1.00 0.00 C ATOM 297 OH TYR A 18 -4.006 10.102 2.276 1.00 0.00 O ATOM 0 H TYR A 18 -5.349 4.847 6.740 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.607 5.163 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.883 4.820 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.066 4.169 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.279 7.239 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.412 5.635 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.070 9.500 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.198 7.894 1.114 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.572 10.056 1.398 1.00 0.00 H new ATOM 307 N ALA A 19 -5.529 2.093 4.861 1.00 0.00 N ATOM 308 CA ALA A 19 -5.697 0.702 4.478 1.00 0.00 C ATOM 309 C ALA A 19 -7.103 0.226 4.805 1.00 0.00 C ATOM 310 O ALA A 19 -7.740 -0.454 4.005 1.00 0.00 O ATOM 311 CB ALA A 19 -4.662 -0.168 5.176 1.00 0.00 C ATOM 0 H ALA A 19 -4.877 2.244 5.630 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.549 0.618 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.801 -1.208 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.661 0.160 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.781 -0.080 6.256 1.00 0.00 H new ATOM 317 N THR A 20 -7.583 0.593 5.987 1.00 0.00 N ATOM 318 CA THR A 20 -8.916 0.202 6.414 1.00 0.00 C ATOM 319 C THR A 20 -9.985 0.905 5.586 1.00 0.00 C ATOM 320 O THR A 20 -11.110 0.418 5.474 1.00 0.00 O ATOM 321 CB THR A 20 -9.118 0.481 7.904 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.893 0.826 8.524 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.681 -0.707 8.646 1.00 0.00 C ATOM 0 H THR A 20 -7.070 1.159 6.663 1.00 0.00 H new ATOM 0 HA THR A 20 -9.014 -0.871 6.253 1.00 0.00 H new ATOM 0 HB THR A 20 -9.828 1.306 7.955 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.551 1.657 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.804 -0.453 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.649 -0.976 8.222 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.997 -1.551 8.554 1.00 0.00 H new ATOM 331 N ALA A 21 -9.633 2.041 4.992 1.00 0.00 N ATOM 332 CA ALA A 21 -10.576 2.778 4.163 1.00 0.00 C ATOM 333 C ALA A 21 -10.413 2.404 2.695 1.00 0.00 C ATOM 334 O ALA A 21 -11.087 2.954 1.824 1.00 0.00 O ATOM 335 CB ALA A 21 -10.410 4.277 4.361 1.00 0.00 C ATOM 0 H ALA A 21 -8.709 2.467 5.069 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.585 2.505 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.124 4.808 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.590 4.528 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.397 4.570 4.087 1.00 0.00 H new ATOM 341 N LEU A 22 -9.531 1.446 2.433 1.00 0.00 N ATOM 342 CA LEU A 22 -9.296 0.969 1.078 1.00 0.00 C ATOM 343 C LEU A 22 -9.642 -0.499 1.014 1.00 0.00 C ATOM 344 O LEU A 22 -10.232 -0.977 0.045 1.00 0.00 O ATOM 345 CB LEU A 22 -7.841 1.201 0.662 1.00 0.00 C ATOM 346 CG LEU A 22 -7.482 0.744 -0.754 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.286 -0.764 -0.795 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.553 1.172 -1.747 1.00 0.00 C ATOM 0 H LEU A 22 -8.966 0.984 3.145 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.926 1.524 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.621 2.265 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.192 0.683 1.368 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.544 1.221 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.031 -1.070 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.479 -1.045 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.207 -1.259 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.277 0.837 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.508 0.728 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.642 2.258 -1.740 1.00 0.00 H new ATOM 360 N TYR A 23 -9.304 -1.203 2.081 1.00 0.00 N ATOM 361 CA TYR A 23 -9.610 -2.602 2.184 1.00 0.00 C ATOM 362 C TYR A 23 -11.062 -2.768 2.626 1.00 0.00 C ATOM 363 O TYR A 23 -11.648 -3.833 2.451 1.00 0.00 O ATOM 364 CB TYR A 23 -8.639 -3.275 3.157 1.00 0.00 C ATOM 365 CG TYR A 23 -9.296 -3.879 4.372 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.047 -5.032 4.259 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.172 -3.290 5.621 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.660 -5.597 5.355 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.780 -3.840 6.726 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.523 -4.998 6.592 1.00 0.00 C ATOM 371 OH TYR A 23 -11.134 -5.551 7.694 1.00 0.00 O ATOM 0 H TYR A 23 -8.815 -0.817 2.888 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.492 -3.086 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.095 -4.057 2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.903 -2.540 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.156 -5.500 3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.590 -2.387 5.728 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.243 -6.500 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.677 -3.370 7.693 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.703 -5.218 8.509 1.00 0.00 H new ATOM 381 N SER A 24 -11.654 -1.698 3.181 1.00 0.00 N ATOM 382 CA SER A 24 -13.048 -1.747 3.611 1.00 0.00 C ATOM 383 C SER A 24 -13.896 -2.330 2.492 1.00 0.00 C ATOM 384 O SER A 24 -14.756 -3.181 2.721 1.00 0.00 O ATOM 385 CB SER A 24 -13.547 -0.351 3.987 1.00 0.00 C ATOM 386 OG SER A 24 -13.033 0.630 3.105 1.00 0.00 O ATOM 0 H SER A 24 -11.191 -0.803 3.338 1.00 0.00 H new ATOM 0 HA SER A 24 -13.128 -2.381 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.637 -0.332 3.961 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.248 -0.118 5.009 1.00 0.00 H new ATOM 0 HG SER A 24 -13.368 1.513 3.366 1.00 0.00 H new ATOM 392 N ALA A 25 -13.604 -1.896 1.271 1.00 0.00 N ATOM 393 CA ALA A 25 -14.293 -2.405 0.099 1.00 0.00 C ATOM 394 C ALA A 25 -13.756 -3.791 -0.212 1.00 0.00 C ATOM 395 O ALA A 25 -14.495 -4.685 -0.625 1.00 0.00 O ATOM 396 CB ALA A 25 -14.102 -1.471 -1.087 1.00 0.00 C ATOM 0 H ALA A 25 -12.894 -1.192 1.071 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.363 -2.463 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.627 -1.872 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.503 -0.487 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.039 -1.384 -1.314 1.00 0.00 H new ATOM 402 N ALA A 26 -12.456 -3.961 0.017 1.00 0.00 N ATOM 403 CA ALA A 26 -11.799 -5.240 -0.206 1.00 0.00 C ATOM 404 C ALA A 26 -12.412 -6.324 0.674 1.00 0.00 C ATOM 405 O ALA A 26 -12.500 -7.483 0.275 1.00 0.00 O ATOM 406 CB ALA A 26 -10.309 -5.124 0.071 1.00 0.00 C ATOM 0 H ALA A 26 -11.838 -3.225 0.358 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.944 -5.520 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.831 -6.089 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.872 -4.379 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.154 -4.821 1.106 1.00 0.00 H new ATOM 412 N SER A 27 -12.837 -5.936 1.875 1.00 0.00 N ATOM 413 CA SER A 27 -13.447 -6.871 2.814 1.00 0.00 C ATOM 414 C SER A 27 -14.688 -7.508 2.202 1.00 0.00 C ATOM 415 O SER A 27 -14.839 -8.729 2.204 1.00 0.00 O ATOM 416 CB SER A 27 -13.822 -6.152 4.110 1.00 0.00 C ATOM 417 OG SER A 27 -14.292 -7.067 5.084 1.00 0.00 O ATOM 0 H SER A 27 -12.769 -4.978 2.220 1.00 0.00 H new ATOM 0 HA SER A 27 -12.722 -7.654 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.954 -5.618 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.591 -5.406 3.906 1.00 0.00 H new ATOM 0 HG SER A 27 -14.811 -6.586 5.762 1.00 0.00 H new ATOM 423 N LYS A 28 -15.574 -6.667 1.669 1.00 0.00 N ATOM 424 CA LYS A 28 -16.802 -7.145 1.044 1.00 0.00 C ATOM 425 C LYS A 28 -16.488 -8.211 0.002 1.00 0.00 C ATOM 426 O LYS A 28 -17.205 -9.203 -0.127 1.00 0.00 O ATOM 427 CB LYS A 28 -17.557 -5.983 0.394 1.00 0.00 C ATOM 428 CG LYS A 28 -17.947 -4.888 1.372 1.00 0.00 C ATOM 429 CD LYS A 28 -19.225 -5.238 2.118 1.00 0.00 C ATOM 430 CE LYS A 28 -20.401 -5.390 1.167 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.674 -6.818 0.845 1.00 0.00 N ATOM 0 H LYS A 28 -15.463 -5.653 1.659 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.432 -7.585 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.937 -5.552 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.457 -6.368 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.139 -4.731 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.083 -3.950 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.082 -6.166 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.445 -4.460 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.289 -4.942 1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.197 -4.843 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.849 -6.916 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.853 -7.397 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.511 -7.139 1.372 1.00 0.00 H new ATOM 445 N GLN A 29 -15.398 -8.003 -0.728 1.00 0.00 N ATOM 446 CA GLN A 29 -14.970 -8.948 -1.748 1.00 0.00 C ATOM 447 C GLN A 29 -14.223 -10.110 -1.105 1.00 0.00 C ATOM 448 O GLN A 29 -14.349 -11.255 -1.538 1.00 0.00 O ATOM 449 CB GLN A 29 -14.076 -8.255 -2.778 1.00 0.00 C ATOM 450 CG GLN A 29 -14.247 -8.791 -4.191 1.00 0.00 C ATOM 451 CD GLN A 29 -14.019 -7.729 -5.248 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.136 -7.860 -6.096 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.816 -6.668 -5.203 1.00 0.00 N ATOM 0 H GLN A 29 -14.795 -7.186 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.854 -9.333 -2.257 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.293 -7.187 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.034 -8.370 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.549 -9.613 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.252 -9.199 -4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.535 -6.600 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.709 -5.921 -5.889 1.00 0.00 H new ATOM 462 N ASN A 30 -13.437 -9.794 -0.070 1.00 0.00 N ATOM 463 CA ASN A 30 -12.645 -10.785 0.658 1.00 0.00 C ATOM 464 C ASN A 30 -11.272 -10.914 0.028 1.00 0.00 C ATOM 465 O ASN A 30 -10.671 -11.988 0.023 1.00 0.00 O ATOM 466 CB ASN A 30 -13.338 -12.153 0.703 1.00 0.00 C ATOM 467 CG ASN A 30 -14.809 -12.050 1.053 1.00 0.00 C ATOM 468 OD1 ASN A 30 -15.192 -11.317 1.965 1.00 0.00 O ATOM 469 ND2 ASN A 30 -15.645 -12.787 0.329 1.00 0.00 N ATOM 0 H ASN A 30 -13.334 -8.843 0.285 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.543 -10.437 1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.232 -12.642 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.837 -12.786 1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.646 -12.759 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.285 -13.381 -0.418 1.00 0.00 H new ATOM 476 N LYS A 31 -10.780 -9.801 -0.502 1.00 0.00 N ATOM 477 CA LYS A 31 -9.476 -9.771 -1.136 1.00 0.00 C ATOM 478 C LYS A 31 -8.383 -9.428 -0.130 1.00 0.00 C ATOM 479 O LYS A 31 -7.248 -9.159 -0.515 1.00 0.00 O ATOM 480 CB LYS A 31 -9.469 -8.764 -2.287 1.00 0.00 C ATOM 481 CG LYS A 31 -9.920 -9.358 -3.612 1.00 0.00 C ATOM 482 CD LYS A 31 -8.736 -9.708 -4.500 1.00 0.00 C ATOM 483 CE LYS A 31 -9.107 -9.651 -5.972 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.687 -10.937 -6.449 1.00 0.00 N ATOM 0 H LYS A 31 -11.270 -8.906 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.271 -10.765 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.120 -7.928 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.463 -8.361 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.514 -10.253 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.566 -8.648 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.916 -9.017 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.377 -10.707 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.825 -8.847 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.221 -9.412 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.927 -10.857 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.993 -11.701 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.547 -11.153 -5.905 1.00 0.00 H new ATOM 498 N LEU A 32 -8.722 -9.445 1.164 1.00 0.00 N ATOM 499 CA LEU A 32 -7.755 -9.148 2.214 1.00 0.00 C ATOM 500 C LEU A 32 -6.432 -9.856 1.948 1.00 0.00 C ATOM 501 O LEU A 32 -5.368 -9.360 2.308 1.00 0.00 O ATOM 502 CB LEU A 32 -8.325 -9.569 3.570 1.00 0.00 C ATOM 503 CG LEU A 32 -9.286 -8.561 4.205 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.515 -7.583 5.077 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.078 -7.822 3.132 1.00 0.00 C ATOM 0 H LEU A 32 -9.659 -9.662 1.504 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.564 -8.075 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.845 -10.519 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.497 -9.743 4.258 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.995 -9.101 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.208 -6.870 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.997 -8.129 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.787 -7.048 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.755 -7.110 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.391 -7.288 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.655 -8.539 2.547 1.00 0.00 H new ATOM 517 N GLU A 33 -6.507 -11.010 1.295 1.00 0.00 N ATOM 518 CA GLU A 33 -5.311 -11.774 0.959 1.00 0.00 C ATOM 519 C GLU A 33 -4.565 -11.101 -0.189 1.00 0.00 C ATOM 520 O GLU A 33 -3.336 -11.121 -0.244 1.00 0.00 O ATOM 521 CB GLU A 33 -5.681 -13.209 0.579 1.00 0.00 C ATOM 522 CG GLU A 33 -5.902 -14.118 1.776 1.00 0.00 C ATOM 523 CD GLU A 33 -6.849 -15.263 1.471 1.00 0.00 C ATOM 524 OE1 GLU A 33 -6.372 -16.323 1.013 1.00 0.00 O ATOM 525 OE2 GLU A 33 -8.068 -15.100 1.691 1.00 0.00 O ATOM 0 H GLU A 33 -7.381 -11.437 0.988 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.661 -11.805 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.587 -13.193 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.889 -13.627 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.944 -14.521 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.301 -13.532 2.604 1.00 0.00 H new ATOM 532 N GLN A 34 -5.325 -10.496 -1.096 1.00 0.00 N ATOM 533 CA GLN A 34 -4.755 -9.797 -2.242 1.00 0.00 C ATOM 534 C GLN A 34 -4.414 -8.350 -1.887 1.00 0.00 C ATOM 535 O GLN A 34 -3.702 -7.675 -2.630 1.00 0.00 O ATOM 536 CB GLN A 34 -5.729 -9.831 -3.422 1.00 0.00 C ATOM 537 CG GLN A 34 -5.432 -10.935 -4.423 1.00 0.00 C ATOM 538 CD GLN A 34 -5.189 -10.407 -5.824 1.00 0.00 C ATOM 539 OE1 GLN A 34 -6.077 -10.443 -6.677 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.981 -9.913 -6.069 1.00 0.00 N ATOM 0 H GLN A 34 -6.344 -10.476 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.834 -10.307 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.743 -9.959 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.700 -8.869 -3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.556 -11.493 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.267 -11.635 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.275 -9.903 -5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.759 -9.544 -6.993 1.00 0.00 H new ATOM 549 N VAL A 35 -4.924 -7.879 -0.752 1.00 0.00 N ATOM 550 CA VAL A 35 -4.665 -6.512 -0.313 1.00 0.00 C ATOM 551 C VAL A 35 -3.692 -6.485 0.860 1.00 0.00 C ATOM 552 O VAL A 35 -2.995 -5.495 1.077 1.00 0.00 O ATOM 553 CB VAL A 35 -5.961 -5.771 0.101 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.912 -4.323 -0.356 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.213 -6.465 -0.437 1.00 0.00 C ATOM 0 H VAL A 35 -5.516 -8.421 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.228 -5.999 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.020 -5.796 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.830 -3.816 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.057 -3.826 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.814 -4.287 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.099 -5.912 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.172 -6.497 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.262 -7.481 -0.046 1.00 0.00 H new ATOM 565 N GLU A 36 -3.642 -7.580 1.604 1.00 0.00 N ATOM 566 CA GLU A 36 -2.744 -7.686 2.747 1.00 0.00 C ATOM 567 C GLU A 36 -1.417 -8.272 2.301 1.00 0.00 C ATOM 568 O GLU A 36 -0.355 -7.875 2.779 1.00 0.00 O ATOM 569 CB GLU A 36 -3.359 -8.554 3.846 1.00 0.00 C ATOM 570 CG GLU A 36 -2.614 -8.479 5.169 1.00 0.00 C ATOM 571 CD GLU A 36 -2.830 -9.708 6.030 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.223 -10.758 5.478 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.606 -9.622 7.255 1.00 0.00 O ATOM 0 H GLU A 36 -4.213 -8.409 1.437 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.581 -6.688 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.393 -8.248 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.381 -9.590 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.548 -8.358 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.941 -7.595 5.716 1.00 0.00 H new ATOM 580 N LYS A 37 -1.488 -9.205 1.360 1.00 0.00 N ATOM 581 CA LYS A 37 -0.293 -9.830 0.825 1.00 0.00 C ATOM 582 C LYS A 37 0.425 -8.850 -0.082 1.00 0.00 C ATOM 583 O LYS A 37 1.655 -8.811 -0.120 1.00 0.00 O ATOM 584 CB LYS A 37 -0.641 -11.108 0.059 1.00 0.00 C ATOM 585 CG LYS A 37 0.572 -11.951 -0.298 1.00 0.00 C ATOM 586 CD LYS A 37 0.173 -13.371 -0.666 1.00 0.00 C ATOM 587 CE LYS A 37 0.287 -14.308 0.526 1.00 0.00 C ATOM 588 NZ LYS A 37 -1.018 -14.486 1.219 1.00 0.00 N ATOM 0 H LYS A 37 -2.361 -9.543 0.954 1.00 0.00 H new ATOM 0 HA LYS A 37 0.361 -10.104 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.326 -11.707 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.170 -10.841 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.102 -11.493 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.263 -11.973 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.851 -13.377 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.809 -13.731 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.656 -15.278 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.021 -13.913 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.896 -14.314 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.710 -13.812 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.361 -15.457 1.070 1.00 0.00 H new ATOM 602 N GLU A 38 -0.347 -8.032 -0.794 1.00 0.00 N ATOM 603 CA GLU A 38 0.238 -7.037 -1.666 1.00 0.00 C ATOM 604 C GLU A 38 0.940 -5.980 -0.830 1.00 0.00 C ATOM 605 O GLU A 38 2.074 -5.602 -1.115 1.00 0.00 O ATOM 606 CB GLU A 38 -0.841 -6.402 -2.537 1.00 0.00 C ATOM 607 CG GLU A 38 -0.932 -7.009 -3.927 1.00 0.00 C ATOM 608 CD GLU A 38 -1.264 -8.487 -3.896 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.424 -9.274 -3.409 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.363 -8.859 -4.356 1.00 0.00 O ATOM 0 H GLU A 38 -1.367 -8.044 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 38 0.968 -7.514 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.806 -6.505 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.642 -5.334 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.694 -6.481 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.016 -6.864 -4.446 1.00 0.00 H new ATOM 617 N LEU A 39 0.263 -5.513 0.215 1.00 0.00 N ATOM 618 CA LEU A 39 0.828 -4.504 1.103 1.00 0.00 C ATOM 619 C LEU A 39 2.249 -4.876 1.509 1.00 0.00 C ATOM 620 O LEU A 39 3.096 -4.006 1.712 1.00 0.00 O ATOM 621 CB LEU A 39 -0.047 -4.338 2.346 1.00 0.00 C ATOM 622 CG LEU A 39 -1.272 -3.441 2.158 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.295 -3.698 3.254 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.862 -1.976 2.139 1.00 0.00 C ATOM 0 H LEU A 39 -0.677 -5.818 0.467 1.00 0.00 H new ATOM 0 HA LEU A 39 0.859 -3.557 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.383 -5.323 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.564 -3.929 3.150 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.731 -3.681 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.159 -3.051 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.612 -4.740 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.848 -3.487 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.746 -1.353 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.378 -1.721 3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.168 -1.803 1.317 1.00 0.00 H new ATOM 636 N LEU A 40 2.510 -6.178 1.615 1.00 0.00 N ATOM 637 CA LEU A 40 3.836 -6.657 1.986 1.00 0.00 C ATOM 638 C LEU A 40 4.887 -6.157 0.998 1.00 0.00 C ATOM 639 O LEU A 40 6.065 -6.036 1.337 1.00 0.00 O ATOM 640 CB LEU A 40 3.854 -8.187 2.038 1.00 0.00 C ATOM 641 CG LEU A 40 2.961 -8.807 3.114 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.774 -10.294 2.858 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.552 -8.572 4.496 1.00 0.00 C ATOM 0 H LEU A 40 1.824 -6.914 1.450 1.00 0.00 H new ATOM 0 HA LEU A 40 4.075 -6.266 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.547 -8.572 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.879 -8.518 2.203 1.00 0.00 H new ATOM 0 HG LEU A 40 1.984 -8.326 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.136 -10.719 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.308 -10.440 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.744 -10.791 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.904 -9.020 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.541 -9.027 4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.635 -7.501 4.679 1.00 0.00 H new ATOM 655 N ARG A 41 4.453 -5.865 -0.226 1.00 0.00 N ATOM 656 CA ARG A 41 5.353 -5.375 -1.262 1.00 0.00 C ATOM 657 C ARG A 41 5.838 -3.965 -0.940 1.00 0.00 C ATOM 658 O ARG A 41 7.041 -3.719 -0.851 1.00 0.00 O ATOM 659 CB ARG A 41 4.658 -5.394 -2.625 1.00 0.00 C ATOM 660 CG ARG A 41 4.716 -6.746 -3.319 1.00 0.00 C ATOM 661 CD ARG A 41 4.199 -7.859 -2.421 1.00 0.00 C ATOM 662 NE ARG A 41 5.257 -8.427 -1.589 1.00 0.00 N ATOM 663 CZ ARG A 41 5.087 -9.475 -0.787 1.00 0.00 C ATOM 664 NH1 ARG A 41 3.906 -10.072 -0.705 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.103 -9.928 -0.064 1.00 0.00 N ATOM 0 H ARG A 41 3.482 -5.960 -0.523 1.00 0.00 H new ATOM 0 HA ARG A 41 6.219 -6.036 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.615 -5.106 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.118 -4.644 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.125 -6.712 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.744 -6.962 -3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.405 -7.471 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.759 -8.645 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 41 6.180 -7.995 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.121 -9.728 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.782 -10.875 -0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.014 -9.473 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.973 -10.731 0.551 1.00 0.00 H new ATOM 679 N VAL A 42 4.898 -3.042 -0.760 1.00 0.00 N ATOM 680 CA VAL A 42 5.241 -1.661 -0.443 1.00 0.00 C ATOM 681 C VAL A 42 6.046 -1.585 0.851 1.00 0.00 C ATOM 682 O VAL A 42 6.820 -0.651 1.056 1.00 0.00 O ATOM 683 CB VAL A 42 3.982 -0.778 -0.312 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.365 0.663 -0.007 1.00 0.00 C ATOM 685 CG2 VAL A 42 3.141 -0.852 -1.577 1.00 0.00 C ATOM 0 H VAL A 42 3.897 -3.225 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 42 5.845 -1.285 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 42 3.386 -1.156 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.463 1.268 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.921 0.701 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.986 1.053 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.258 -0.223 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.729 -0.503 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.832 -1.883 -1.749 1.00 0.00 H new ATOM 695 N GLY A 43 5.862 -2.576 1.720 1.00 0.00 N ATOM 696 CA GLY A 43 6.583 -2.601 2.978 1.00 0.00 C ATOM 697 C GLY A 43 8.037 -2.986 2.800 1.00 0.00 C ATOM 698 O GLY A 43 8.927 -2.376 3.393 1.00 0.00 O ATOM 0 H GLY A 43 5.227 -3.361 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.524 -1.619 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.103 -3.307 3.655 1.00 0.00 H new ATOM 702 N GLN A 44 8.281 -4.003 1.979 1.00 0.00 N ATOM 703 CA GLN A 44 9.638 -4.468 1.720 1.00 0.00 C ATOM 704 C GLN A 44 10.375 -3.498 0.803 1.00 0.00 C ATOM 705 O GLN A 44 11.592 -3.341 0.897 1.00 0.00 O ATOM 706 CB GLN A 44 9.612 -5.863 1.093 1.00 0.00 C ATOM 707 CG GLN A 44 9.643 -6.990 2.114 1.00 0.00 C ATOM 708 CD GLN A 44 10.521 -8.147 1.677 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.424 -8.622 0.546 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.383 -8.607 2.576 1.00 0.00 N ATOM 0 H GLN A 44 7.556 -4.520 1.482 1.00 0.00 H new ATOM 0 HA GLN A 44 10.168 -4.517 2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.714 -5.961 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.466 -5.967 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.005 -6.603 3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.629 -7.351 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.429 -8.182 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.999 -9.385 2.340 1.00 0.00 H new ATOM 719 N ILE A 45 9.626 -2.848 -0.082 1.00 0.00 N ATOM 720 CA ILE A 45 10.203 -1.889 -1.015 1.00 0.00 C ATOM 721 C ILE A 45 10.605 -0.602 -0.303 1.00 0.00 C ATOM 722 O ILE A 45 11.493 0.116 -0.757 1.00 0.00 O ATOM 723 CB ILE A 45 9.216 -1.555 -2.154 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.776 -2.834 -2.867 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.848 -0.585 -3.145 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.361 -2.772 -3.402 1.00 0.00 C ATOM 0 H ILE A 45 8.617 -2.969 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 45 11.093 -2.353 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 45 8.338 -1.078 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.459 -3.034 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.858 -3.672 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.137 -0.362 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.117 0.337 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.743 -1.035 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.117 -3.713 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.668 -2.603 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.278 -1.955 -4.119 1.00 0.00 H new ATOM 738 N LEU A 46 9.948 -0.314 0.816 1.00 0.00 N ATOM 739 CA LEU A 46 10.249 0.889 1.581 1.00 0.00 C ATOM 740 C LEU A 46 11.503 0.696 2.426 1.00 0.00 C ATOM 741 O LEU A 46 12.358 1.579 2.498 1.00 0.00 O ATOM 742 CB LEU A 46 9.067 1.259 2.477 1.00 0.00 C ATOM 743 CG LEU A 46 8.686 2.738 2.458 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.892 3.603 2.792 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.113 3.122 1.101 1.00 0.00 C ATOM 0 H LEU A 46 9.208 -0.894 1.211 1.00 0.00 H new ATOM 0 HA LEU A 46 10.429 1.701 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.201 0.671 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.303 0.972 3.502 1.00 0.00 H new ATOM 0 HG LEU A 46 7.921 2.907 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.602 4.654 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.261 3.345 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.678 3.431 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.847 4.179 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.857 2.938 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.224 2.524 0.899 1.00 0.00 H new ATOM 757 N LYS A 47 11.606 -0.465 3.059 1.00 0.00 N ATOM 758 CA LYS A 47 12.757 -0.780 3.896 1.00 0.00 C ATOM 759 C LYS A 47 13.994 -1.037 3.042 1.00 0.00 C ATOM 760 O LYS A 47 15.123 -0.925 3.520 1.00 0.00 O ATOM 761 CB LYS A 47 12.462 -2.002 4.768 1.00 0.00 C ATOM 762 CG LYS A 47 13.470 -2.210 5.886 1.00 0.00 C ATOM 763 CD LYS A 47 14.588 -3.148 5.460 1.00 0.00 C ATOM 764 CE LYS A 47 14.182 -4.605 5.615 1.00 0.00 C ATOM 765 NZ LYS A 47 13.776 -4.923 7.012 1.00 0.00 N ATOM 0 H LYS A 47 10.906 -1.205 3.009 1.00 0.00 H new ATOM 0 HA LYS A 47 12.953 0.077 4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.468 -1.897 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.442 -2.891 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.892 -1.249 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.965 -2.618 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.853 -2.952 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.477 -2.951 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.357 -4.826 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.014 -5.247 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.978 -5.923 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.308 -4.322 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.758 -4.746 7.126 1.00 0.00 H new ATOM 779 N GLU A 48 13.776 -1.382 1.775 1.00 0.00 N ATOM 780 CA GLU A 48 14.875 -1.654 0.860 1.00 0.00 C ATOM 781 C GLU A 48 15.801 -0.443 0.745 1.00 0.00 C ATOM 782 O GLU A 48 15.422 0.584 0.182 1.00 0.00 O ATOM 783 CB GLU A 48 14.334 -2.028 -0.521 1.00 0.00 C ATOM 784 CG GLU A 48 14.064 -3.514 -0.688 1.00 0.00 C ATOM 785 CD GLU A 48 13.076 -3.806 -1.800 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.241 -3.244 -2.903 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.138 -4.597 -1.569 1.00 0.00 O ATOM 0 H GLU A 48 12.849 -1.479 1.362 1.00 0.00 H new ATOM 0 HA GLU A 48 15.448 -2.491 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.411 -1.477 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.049 -1.710 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.002 -4.029 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.680 -3.917 0.249 1.00 0.00 H new ATOM 794 N PRO A 49 17.034 -0.543 1.281 1.00 0.00 N ATOM 795 CA PRO A 49 18.005 0.555 1.232 1.00 0.00 C ATOM 796 C PRO A 49 18.162 1.132 -0.172 1.00 0.00 C ATOM 797 O PRO A 49 18.279 2.345 -0.345 1.00 0.00 O ATOM 798 CB PRO A 49 19.307 -0.106 1.687 1.00 0.00 C ATOM 799 CG PRO A 49 18.873 -1.236 2.553 1.00 0.00 C ATOM 800 CD PRO A 49 17.575 -1.729 1.973 1.00 0.00 C ATOM 0 HA PRO A 49 17.698 1.398 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.890 -0.460 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.936 0.595 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.621 -2.029 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.740 -0.909 3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.733 -2.559 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.898 -2.084 2.750 1.00 0.00 H new ATOM 808 N LYS A 50 18.164 0.256 -1.171 1.00 0.00 N ATOM 809 CA LYS A 50 18.306 0.680 -2.559 1.00 0.00 C ATOM 810 C LYS A 50 17.071 1.442 -3.026 1.00 0.00 C ATOM 811 O LYS A 50 17.160 2.321 -3.883 1.00 0.00 O ATOM 812 CB LYS A 50 18.543 -0.532 -3.461 1.00 0.00 C ATOM 813 CG LYS A 50 20.012 -0.885 -3.634 1.00 0.00 C ATOM 814 CD LYS A 50 20.686 0.016 -4.657 1.00 0.00 C ATOM 815 CE LYS A 50 21.733 -0.739 -5.459 1.00 0.00 C ATOM 816 NZ LYS A 50 21.167 -1.316 -6.709 1.00 0.00 N ATOM 0 H LYS A 50 18.069 -0.752 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 50 19.166 1.347 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.018 -1.392 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.107 -0.336 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.524 -0.796 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.103 -1.925 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.935 0.427 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.154 0.859 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.553 -0.066 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.152 -1.538 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.913 -1.823 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.401 -1.978 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.790 -0.551 -7.305 1.00 0.00 H new ATOM 830 N MET A 51 15.919 1.100 -2.457 1.00 0.00 N ATOM 831 CA MET A 51 14.666 1.752 -2.816 1.00 0.00 C ATOM 832 C MET A 51 14.569 3.139 -2.190 1.00 0.00 C ATOM 833 O MET A 51 13.922 4.033 -2.736 1.00 0.00 O ATOM 834 CB MET A 51 13.478 0.899 -2.371 1.00 0.00 C ATOM 835 CG MET A 51 13.337 -0.405 -3.140 1.00 0.00 C ATOM 836 SD MET A 51 13.242 -0.158 -4.924 1.00 0.00 S ATOM 837 CE MET A 51 11.714 0.767 -5.059 1.00 0.00 C ATOM 0 H MET A 51 15.828 0.375 -1.745 1.00 0.00 H new ATOM 0 HA MET A 51 14.644 1.862 -3.900 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.581 0.675 -1.309 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.562 1.479 -2.487 1.00 0.00 H new ATOM 0 HG2 MET A 51 14.186 -1.050 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.441 -0.926 -2.802 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.845 1.584 -5.769 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.919 0.108 -5.407 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.447 1.173 -4.083 1.00 0.00 H new ATOM 847 N ALA A 52 15.213 3.314 -1.040 1.00 0.00 N ATOM 848 CA ALA A 52 15.196 4.594 -0.341 1.00 0.00 C ATOM 849 C ALA A 52 15.663 5.728 -1.249 1.00 0.00 C ATOM 850 O ALA A 52 15.249 6.876 -1.086 1.00 0.00 O ATOM 851 CB ALA A 52 16.063 4.525 0.907 1.00 0.00 C ATOM 0 H ALA A 52 15.753 2.586 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 52 14.167 4.802 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.041 5.487 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.681 3.751 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.089 4.287 0.625 1.00 0.00 H new ATOM 857 N ALA A 53 16.523 5.398 -2.205 1.00 0.00 N ATOM 858 CA ALA A 53 17.041 6.389 -3.139 1.00 0.00 C ATOM 859 C ALA A 53 16.163 6.497 -4.386 1.00 0.00 C ATOM 860 O ALA A 53 16.453 7.282 -5.288 1.00 0.00 O ATOM 861 CB ALA A 53 18.471 6.047 -3.530 1.00 0.00 C ATOM 0 H ALA A 53 16.876 4.453 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 53 17.029 7.357 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.846 6.795 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.099 6.035 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.494 5.065 -4.003 1.00 0.00 H new ATOM 867 N SER A 54 15.093 5.705 -4.435 1.00 0.00 N ATOM 868 CA SER A 54 14.187 5.722 -5.578 1.00 0.00 C ATOM 869 C SER A 54 12.722 5.750 -5.142 1.00 0.00 C ATOM 870 O SER A 54 11.823 5.662 -5.977 1.00 0.00 O ATOM 871 CB SER A 54 14.436 4.504 -6.466 1.00 0.00 C ATOM 872 OG SER A 54 15.813 4.173 -6.506 1.00 0.00 O ATOM 0 H SER A 54 14.835 5.047 -3.700 1.00 0.00 H new ATOM 0 HA SER A 54 14.388 6.634 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.866 3.654 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.078 4.707 -7.475 1.00 0.00 H new ATOM 0 HG SER A 54 15.945 3.389 -7.080 1.00 0.00 H new ATOM 878 N LEU A 55 12.481 5.873 -3.839 1.00 0.00 N ATOM 879 CA LEU A 55 11.117 5.912 -3.323 1.00 0.00 C ATOM 880 C LEU A 55 10.738 7.324 -2.879 1.00 0.00 C ATOM 881 O LEU A 55 9.558 7.641 -2.731 1.00 0.00 O ATOM 882 CB LEU A 55 10.955 4.921 -2.162 1.00 0.00 C ATOM 883 CG LEU A 55 11.383 5.436 -0.784 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.264 6.244 -0.144 1.00 0.00 C ATOM 885 CD2 LEU A 55 11.781 4.275 0.115 1.00 0.00 C ATOM 0 H LEU A 55 13.207 5.947 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 55 10.442 5.620 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.909 4.621 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.532 4.025 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 55 12.247 6.088 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.587 6.601 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.021 7.096 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.382 5.615 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.083 4.657 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.933 3.601 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.613 3.734 -0.336 1.00 0.00 H new ATOM 897 N LEU A 56 11.745 8.169 -2.666 1.00 0.00 N ATOM 898 CA LEU A 56 11.508 9.544 -2.238 1.00 0.00 C ATOM 899 C LEU A 56 12.304 10.540 -3.085 1.00 0.00 C ATOM 900 O LEU A 56 12.305 11.737 -2.803 1.00 0.00 O ATOM 901 CB LEU A 56 11.879 9.703 -0.761 1.00 0.00 C ATOM 902 CG LEU A 56 11.743 11.124 -0.206 1.00 0.00 C ATOM 903 CD1 LEU A 56 11.145 11.097 1.192 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.095 11.824 -0.196 1.00 0.00 C ATOM 0 H LEU A 56 12.729 7.926 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 56 10.448 9.759 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.249 9.037 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.909 9.373 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 56 11.070 11.684 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.056 12.116 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.158 10.636 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.792 10.520 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.980 12.832 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.790 11.264 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.485 11.877 -1.213 1.00 0.00 H new ATOM 916 N ASN A 57 12.979 10.047 -4.122 1.00 0.00 N ATOM 917 CA ASN A 57 13.768 10.912 -4.989 1.00 0.00 C ATOM 918 C ASN A 57 12.884 11.954 -5.673 1.00 0.00 C ATOM 919 O ASN A 57 11.795 11.636 -6.152 1.00 0.00 O ATOM 920 CB ASN A 57 14.515 10.080 -6.038 1.00 0.00 C ATOM 921 CG ASN A 57 13.605 9.556 -7.134 1.00 0.00 C ATOM 922 OD1 ASN A 57 13.520 10.135 -8.217 1.00 0.00 O ATOM 923 ND2 ASN A 57 12.918 8.455 -6.856 1.00 0.00 N ATOM 0 H ASN A 57 12.994 9.060 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 57 14.497 11.436 -4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.301 10.689 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.004 9.239 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.289 8.056 -7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.019 8.007 -5.945 1.00 0.00 H new ATOM 930 N PRO A 58 13.343 13.217 -5.735 1.00 0.00 N ATOM 931 CA PRO A 58 12.588 14.299 -6.370 1.00 0.00 C ATOM 932 C PRO A 58 12.709 14.278 -7.894 1.00 0.00 C ATOM 933 O PRO A 58 12.191 15.161 -8.579 1.00 0.00 O ATOM 934 CB PRO A 58 13.245 15.553 -5.800 1.00 0.00 C ATOM 935 CG PRO A 58 14.660 15.155 -5.560 1.00 0.00 C ATOM 936 CD PRO A 58 14.633 13.691 -5.196 1.00 0.00 C ATOM 0 HA PRO A 58 11.519 14.227 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.180 16.388 -6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.760 15.871 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.267 15.323 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.100 15.747 -4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.472 13.154 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.693 13.546 -4.117 1.00 0.00 H new ATOM 944 N TYR A 59 13.397 13.266 -8.417 1.00 0.00 N ATOM 945 CA TYR A 59 13.590 13.130 -9.855 1.00 0.00 C ATOM 946 C TYR A 59 12.445 12.348 -10.490 1.00 0.00 C ATOM 947 O TYR A 59 12.153 12.511 -11.675 1.00 0.00 O ATOM 948 CB TYR A 59 14.920 12.432 -10.138 1.00 0.00 C ATOM 949 CG TYR A 59 16.111 13.126 -9.515 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.371 13.015 -8.155 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.974 13.893 -10.287 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.458 13.649 -7.582 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.062 14.530 -9.723 1.00 0.00 C ATOM 954 CZ TYR A 59 18.300 14.405 -8.370 1.00 0.00 C ATOM 955 OH TYR A 59 19.382 15.038 -7.804 1.00 0.00 O ATOM 0 H TYR A 59 13.830 12.527 -7.863 1.00 0.00 H new ATOM 0 HA TYR A 59 13.605 14.128 -10.294 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.870 11.409 -9.766 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.068 12.372 -11.216 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.713 12.424 -7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.791 13.993 -11.347 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.647 13.553 -6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.723 15.123 -10.338 1.00 0.00 H new ATOM 0 HH TYR A 59 19.873 15.528 -8.496 1.00 0.00 H new ATOM 965 N VAL A 60 11.799 11.497 -9.698 1.00 0.00 N ATOM 966 CA VAL A 60 10.688 10.689 -10.190 1.00 0.00 C ATOM 967 C VAL A 60 9.366 11.457 -10.144 1.00 0.00 C ATOM 968 O VAL A 60 8.310 10.903 -10.447 1.00 0.00 O ATOM 969 CB VAL A 60 10.545 9.383 -9.383 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.120 9.674 -7.950 1.00 0.00 C ATOM 971 CG2 VAL A 60 9.558 8.444 -10.061 1.00 0.00 C ATOM 0 H VAL A 60 12.025 11.349 -8.714 1.00 0.00 H new ATOM 0 HA VAL A 60 10.916 10.446 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 60 11.518 8.892 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.026 8.737 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.869 10.303 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.160 10.191 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.469 7.527 -9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.583 8.927 -10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.914 8.204 -11.063 1.00 0.00 H new ATOM 981 N LYS A 61 9.428 12.734 -9.767 1.00 0.00 N ATOM 982 CA LYS A 61 8.231 13.566 -9.689 1.00 0.00 C ATOM 983 C LYS A 61 7.147 12.897 -8.847 1.00 0.00 C ATOM 984 O LYS A 61 7.398 11.897 -8.174 1.00 0.00 O ATOM 985 CB LYS A 61 7.696 13.856 -11.092 1.00 0.00 C ATOM 986 CG LYS A 61 8.771 14.283 -12.078 1.00 0.00 C ATOM 987 CD LYS A 61 8.239 15.296 -13.078 1.00 0.00 C ATOM 988 CE LYS A 61 8.810 15.061 -14.467 1.00 0.00 C ATOM 989 NZ LYS A 61 8.505 16.186 -15.393 1.00 0.00 N ATOM 0 H LYS A 61 10.292 13.212 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 61 8.506 14.505 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.199 12.964 -11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.941 14.640 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.613 14.713 -11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.147 13.409 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.151 15.235 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.490 16.303 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.890 14.931 -14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.403 14.136 -14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.912 15.986 -16.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.474 16.294 -15.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.915 17.065 -15.018 1.00 0.00 H new ATOM 1003 N ARG A 62 5.942 13.457 -8.892 1.00 0.00 N ATOM 1004 CA ARG A 62 4.819 12.915 -8.135 1.00 0.00 C ATOM 1005 C ARG A 62 3.889 12.117 -9.042 1.00 0.00 C ATOM 1006 O ARG A 62 3.430 11.033 -8.680 1.00 0.00 O ATOM 1007 CB ARG A 62 4.043 14.044 -7.455 1.00 0.00 C ATOM 1008 CG ARG A 62 3.039 13.556 -6.423 1.00 0.00 C ATOM 1009 CD ARG A 62 1.660 13.368 -7.033 1.00 0.00 C ATOM 1010 NE ARG A 62 0.791 14.516 -6.784 1.00 0.00 N ATOM 1011 CZ ARG A 62 -0.535 14.480 -6.894 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -1.148 13.357 -7.248 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -1.250 15.569 -6.649 1.00 0.00 N ATOM 0 H ARG A 62 5.718 14.285 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 62 5.216 12.246 -7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.749 14.719 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.518 14.622 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.382 12.613 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.981 14.272 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.757 13.213 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.201 12.469 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 62 1.226 15.397 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.603 12.516 -7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.164 13.335 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.784 16.434 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.266 15.542 -6.733 1.00 0.00 H new ATOM 1027 N SER A 63 3.615 12.660 -10.225 1.00 0.00 N ATOM 1028 CA SER A 63 2.741 11.999 -11.186 1.00 0.00 C ATOM 1029 C SER A 63 3.471 10.862 -11.892 1.00 0.00 C ATOM 1030 O SER A 63 2.930 9.767 -12.053 1.00 0.00 O ATOM 1031 CB SER A 63 2.223 13.005 -12.214 1.00 0.00 C ATOM 1032 OG SER A 63 1.531 14.069 -11.584 1.00 0.00 O ATOM 0 H SER A 63 3.986 13.556 -10.540 1.00 0.00 H new ATOM 0 HA SER A 63 1.895 11.581 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.058 13.402 -12.792 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.560 12.502 -12.917 1.00 0.00 H new ATOM 0 HG SER A 63 1.212 14.699 -12.263 1.00 0.00 H new ATOM 1038 N VAL A 64 4.705 11.127 -12.311 1.00 0.00 N ATOM 1039 CA VAL A 64 5.510 10.124 -12.997 1.00 0.00 C ATOM 1040 C VAL A 64 5.698 8.886 -12.127 1.00 0.00 C ATOM 1041 O VAL A 64 5.636 7.757 -12.613 1.00 0.00 O ATOM 1042 CB VAL A 64 6.891 10.682 -13.389 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.652 9.681 -14.243 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.743 12.010 -14.116 1.00 0.00 C ATOM 0 H VAL A 64 5.168 12.027 -12.187 1.00 0.00 H new ATOM 0 HA VAL A 64 4.971 9.849 -13.904 1.00 0.00 H new ATOM 0 HB VAL A 64 7.464 10.854 -12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.625 10.095 -14.509 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.792 8.757 -13.683 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.086 9.473 -15.151 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.729 12.389 -14.385 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.150 11.866 -15.019 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.244 12.728 -13.465 1.00 0.00 H new ATOM 1054 N LYS A 65 5.924 9.107 -10.834 1.00 0.00 N ATOM 1055 CA LYS A 65 6.115 8.008 -9.893 1.00 0.00 C ATOM 1056 C LYS A 65 4.919 7.062 -9.913 1.00 0.00 C ATOM 1057 O LYS A 65 5.072 5.848 -9.791 1.00 0.00 O ATOM 1058 CB LYS A 65 6.325 8.552 -8.477 1.00 0.00 C ATOM 1059 CG LYS A 65 6.531 7.469 -7.430 1.00 0.00 C ATOM 1060 CD LYS A 65 8.001 7.295 -7.088 1.00 0.00 C ATOM 1061 CE LYS A 65 8.359 5.830 -6.895 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.167 5.043 -8.144 1.00 0.00 N ATOM 0 H LYS A 65 5.979 10.036 -10.415 1.00 0.00 H new ATOM 0 HA LYS A 65 7.002 7.452 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.191 9.215 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.461 9.156 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.975 7.723 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.128 6.525 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.613 7.718 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.232 7.850 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.397 5.749 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.743 5.407 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.497 4.268 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.791 5.662 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.079 4.648 -8.449 1.00 0.00 H new ATOM 1076 N VAL A 66 3.727 7.630 -10.068 1.00 0.00 N ATOM 1077 CA VAL A 66 2.503 6.839 -10.105 1.00 0.00 C ATOM 1078 C VAL A 66 2.529 5.840 -11.256 1.00 0.00 C ATOM 1079 O VAL A 66 2.290 4.648 -11.063 1.00 0.00 O ATOM 1080 CB VAL A 66 1.258 7.736 -10.244 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.014 6.913 -10.120 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.284 8.849 -9.206 1.00 0.00 C ATOM 0 H VAL A 66 3.583 8.635 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 66 2.447 6.298 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 66 1.272 8.191 -11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.881 7.566 -10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.036 6.157 -10.905 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.038 6.426 -9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.397 9.473 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.297 8.414 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.177 9.458 -9.348 1.00 0.00 H new ATOM 1092 N LYS A 67 2.824 6.334 -12.454 1.00 0.00 N ATOM 1093 CA LYS A 67 2.883 5.480 -13.636 1.00 0.00 C ATOM 1094 C LYS A 67 3.975 4.427 -13.486 1.00 0.00 C ATOM 1095 O LYS A 67 3.793 3.271 -13.868 1.00 0.00 O ATOM 1096 CB LYS A 67 3.136 6.321 -14.888 1.00 0.00 C ATOM 1097 CG LYS A 67 2.425 5.799 -16.126 1.00 0.00 C ATOM 1098 CD LYS A 67 3.262 4.758 -16.851 1.00 0.00 C ATOM 1099 CE LYS A 67 2.945 4.725 -18.337 1.00 0.00 C ATOM 1100 NZ LYS A 67 3.029 3.346 -18.893 1.00 0.00 N ATOM 0 H LYS A 67 3.025 7.318 -12.632 1.00 0.00 H new ATOM 0 HA LYS A 67 1.923 4.973 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.814 7.345 -14.699 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.208 6.355 -15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.468 5.363 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.210 6.628 -16.800 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.320 4.977 -16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.078 3.775 -16.417 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.944 5.123 -18.503 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.639 5.374 -18.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.806 3.367 -19.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.991 2.975 -18.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.349 2.732 -18.402 1.00 0.00 H new ATOM 1114 N SER A 68 5.108 4.834 -12.924 1.00 0.00 N ATOM 1115 CA SER A 68 6.228 3.924 -12.719 1.00 0.00 C ATOM 1116 C SER A 68 5.856 2.825 -11.729 1.00 0.00 C ATOM 1117 O SER A 68 6.360 1.705 -11.809 1.00 0.00 O ATOM 1118 CB SER A 68 7.450 4.690 -12.214 1.00 0.00 C ATOM 1119 OG SER A 68 7.203 5.266 -10.944 1.00 0.00 O ATOM 0 H SER A 68 5.275 5.788 -12.603 1.00 0.00 H new ATOM 0 HA SER A 68 6.471 3.462 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.305 4.016 -12.151 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.713 5.472 -12.926 1.00 0.00 H new ATOM 0 HG SER A 68 6.244 5.226 -10.748 1.00 0.00 H new ATOM 1125 N LEU A 69 4.967 3.153 -10.795 1.00 0.00 N ATOM 1126 CA LEU A 69 4.525 2.194 -9.791 1.00 0.00 C ATOM 1127 C LEU A 69 3.734 1.060 -10.436 1.00 0.00 C ATOM 1128 O LEU A 69 3.952 -0.113 -10.135 1.00 0.00 O ATOM 1129 CB LEU A 69 3.669 2.891 -8.732 1.00 0.00 C ATOM 1130 CG LEU A 69 4.448 3.734 -7.721 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.542 4.777 -7.086 1.00 0.00 C ATOM 1132 CD2 LEU A 69 5.071 2.844 -6.654 1.00 0.00 C ATOM 0 H LEU A 69 4.540 4.076 -10.714 1.00 0.00 H new ATOM 0 HA LEU A 69 5.409 1.771 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.946 3.532 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.101 2.134 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 69 5.250 4.252 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.113 5.367 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.143 5.432 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.719 4.280 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.622 3.460 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.285 2.299 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.753 2.135 -7.124 1.00 0.00 H new ATOM 1144 N SER A 70 2.811 1.424 -11.320 1.00 0.00 N ATOM 1145 CA SER A 70 1.976 0.447 -12.008 1.00 0.00 C ATOM 1146 C SER A 70 2.811 -0.491 -12.875 1.00 0.00 C ATOM 1147 O SER A 70 2.359 -1.578 -13.238 1.00 0.00 O ATOM 1148 CB SER A 70 0.925 1.154 -12.866 1.00 0.00 C ATOM 1149 OG SER A 70 -0.198 1.530 -12.088 1.00 0.00 O ATOM 0 H SER A 70 2.622 2.393 -11.577 1.00 0.00 H new ATOM 0 HA SER A 70 1.475 -0.152 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.363 2.038 -13.329 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.608 0.495 -13.674 1.00 0.00 H new ATOM 0 HG SER A 70 -0.855 1.981 -12.658 1.00 0.00 H new ATOM 1155 N ASP A 71 4.031 -0.079 -13.199 1.00 0.00 N ATOM 1156 CA ASP A 71 4.913 -0.906 -14.011 1.00 0.00 C ATOM 1157 C ASP A 71 5.776 -1.779 -13.117 1.00 0.00 C ATOM 1158 O ASP A 71 6.017 -2.948 -13.417 1.00 0.00 O ATOM 1159 CB ASP A 71 5.790 -0.037 -14.914 1.00 0.00 C ATOM 1160 CG ASP A 71 6.195 -0.751 -16.188 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.309 -1.335 -16.848 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.397 -0.728 -16.527 1.00 0.00 O ATOM 0 H ASP A 71 4.429 0.816 -12.914 1.00 0.00 H new ATOM 0 HA ASP A 71 4.301 -1.547 -14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.252 0.876 -15.168 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.685 0.262 -14.368 1.00 0.00 H new ATOM 1167 N MET A 72 6.222 -1.211 -12.005 1.00 0.00 N ATOM 1168 CA MET A 72 7.036 -1.950 -11.055 1.00 0.00 C ATOM 1169 C MET A 72 6.159 -2.892 -10.251 1.00 0.00 C ATOM 1170 O MET A 72 6.609 -3.955 -9.823 1.00 0.00 O ATOM 1171 CB MET A 72 7.792 -0.993 -10.125 1.00 0.00 C ATOM 1172 CG MET A 72 6.959 -0.485 -8.957 1.00 0.00 C ATOM 1173 SD MET A 72 7.860 0.666 -7.904 1.00 0.00 S ATOM 1174 CE MET A 72 7.033 0.399 -6.337 1.00 0.00 C ATOM 0 H MET A 72 6.034 -0.244 -11.741 1.00 0.00 H new ATOM 0 HA MET A 72 7.773 -2.535 -11.606 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.674 -1.501 -9.736 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.145 -0.140 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.064 0.005 -9.341 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.626 -1.333 -8.359 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.150 1.282 -5.709 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.973 0.215 -6.512 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.473 -0.463 -5.836 1.00 0.00 H new ATOM 1184 N THR A 73 4.895 -2.513 -10.059 1.00 0.00 N ATOM 1185 CA THR A 73 3.984 -3.362 -9.319 1.00 0.00 C ATOM 1186 C THR A 73 3.793 -4.672 -10.056 1.00 0.00 C ATOM 1187 O THR A 73 3.564 -5.711 -9.436 1.00 0.00 O ATOM 1188 CB THR A 73 2.635 -2.699 -9.093 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.838 -3.530 -8.283 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.854 -2.444 -10.353 1.00 0.00 C ATOM 0 H THR A 73 4.492 -1.640 -10.401 1.00 0.00 H new ATOM 0 HA THR A 73 4.428 -3.544 -8.340 1.00 0.00 H new ATOM 0 HB THR A 73 2.857 -1.737 -8.632 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.297 -3.695 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.905 -1.969 -10.103 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.426 -1.788 -11.009 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.664 -3.390 -10.861 1.00 0.00 H new ATOM 1198 N ALA A 74 3.916 -4.630 -11.383 1.00 0.00 N ATOM 1199 CA ALA A 74 3.784 -5.839 -12.178 1.00 0.00 C ATOM 1200 C ALA A 74 4.654 -6.935 -11.579 1.00 0.00 C ATOM 1201 O ALA A 74 4.342 -8.122 -11.682 1.00 0.00 O ATOM 1202 CB ALA A 74 4.168 -5.574 -13.626 1.00 0.00 C ATOM 0 H ALA A 74 4.104 -3.783 -11.919 1.00 0.00 H new ATOM 0 HA ALA A 74 2.744 -6.164 -12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.062 -6.492 -14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.515 -4.806 -14.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.202 -5.234 -13.672 1.00 0.00 H new ATOM 1208 N LYS A 75 5.743 -6.517 -10.932 1.00 0.00 N ATOM 1209 CA LYS A 75 6.652 -7.453 -10.290 1.00 0.00 C ATOM 1210 C LYS A 75 6.352 -7.567 -8.796 1.00 0.00 C ATOM 1211 O LYS A 75 6.673 -8.577 -8.170 1.00 0.00 O ATOM 1212 CB LYS A 75 8.104 -7.019 -10.505 1.00 0.00 C ATOM 1213 CG LYS A 75 8.761 -7.671 -11.710 1.00 0.00 C ATOM 1214 CD LYS A 75 8.627 -6.806 -12.953 1.00 0.00 C ATOM 1215 CE LYS A 75 9.778 -7.036 -13.919 1.00 0.00 C ATOM 1216 NZ LYS A 75 9.682 -8.362 -14.591 1.00 0.00 N ATOM 0 H LYS A 75 6.012 -5.537 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 75 6.506 -8.433 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.137 -5.936 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.682 -7.258 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.816 -7.847 -11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.306 -8.644 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.683 -7.027 -13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.597 -5.755 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.784 -6.247 -14.671 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.723 -6.970 -13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.485 -8.481 -15.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.702 -9.116 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.792 -8.416 -15.126 1.00 0.00 H new ATOM 1230 N GLU A 76 5.729 -6.535 -8.227 1.00 0.00 N ATOM 1231 CA GLU A 76 5.388 -6.545 -6.813 1.00 0.00 C ATOM 1232 C GLU A 76 4.249 -7.519 -6.542 1.00 0.00 C ATOM 1233 O GLU A 76 4.432 -8.517 -5.845 1.00 0.00 O ATOM 1234 CB GLU A 76 4.996 -5.141 -6.347 1.00 0.00 C ATOM 1235 CG GLU A 76 6.085 -4.102 -6.562 1.00 0.00 C ATOM 1236 CD GLU A 76 7.398 -4.489 -5.912 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.375 -5.311 -4.971 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.449 -3.971 -6.342 1.00 0.00 O ATOM 0 H GLU A 76 5.453 -5.688 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 76 6.266 -6.870 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.097 -4.829 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.743 -5.176 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.241 -3.961 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.753 -3.145 -6.160 1.00 0.00 H new ATOM 1245 N LYS A 77 3.076 -7.223 -7.111 1.00 0.00 N ATOM 1246 CA LYS A 77 1.886 -8.067 -6.950 1.00 0.00 C ATOM 1247 C LYS A 77 0.600 -7.267 -7.163 1.00 0.00 C ATOM 1248 O LYS A 77 -0.379 -7.788 -7.698 1.00 0.00 O ATOM 1249 CB LYS A 77 1.848 -8.718 -5.561 1.00 0.00 C ATOM 1250 CG LYS A 77 2.297 -10.170 -5.556 1.00 0.00 C ATOM 1251 CD LYS A 77 2.752 -10.609 -4.174 1.00 0.00 C ATOM 1252 CE LYS A 77 2.513 -12.094 -3.955 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.701 -12.910 -4.330 1.00 0.00 N ATOM 0 H LYS A 77 2.924 -6.398 -7.692 1.00 0.00 H new ATOM 0 HA LYS A 77 1.949 -8.847 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.484 -8.148 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.833 -8.659 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.477 -10.806 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.112 -10.302 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.812 -10.388 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.218 -10.037 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.267 -12.271 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.653 -12.414 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.497 -13.916 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.921 -12.761 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.516 -12.623 -3.751 1.00 0.00 H new ATOM 1267 N PHE A 78 0.601 -6.006 -6.725 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.573 -5.139 -6.848 1.00 0.00 C ATOM 1269 C PHE A 78 -1.261 -5.295 -8.178 1.00 0.00 C ATOM 1270 O PHE A 78 -0.673 -5.766 -9.151 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.200 -3.674 -6.664 1.00 0.00 C ATOM 1272 CG PHE A 78 0.757 -3.468 -5.546 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.469 -3.983 -4.305 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.941 -2.785 -5.736 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.345 -3.819 -3.260 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.828 -2.620 -4.697 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.529 -3.137 -3.452 1.00 0.00 C ATOM 0 H PHE A 78 1.404 -5.562 -6.281 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.258 -5.449 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.238 -3.295 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.103 -3.093 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.454 -4.521 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.173 -2.377 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.107 -4.224 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.755 -2.088 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.219 -3.008 -2.632 1.00 0.00 H new ATOM 1287 N SER A 79 -2.511 -4.864 -8.206 1.00 0.00 N ATOM 1288 CA SER A 79 -3.311 -4.917 -9.418 1.00 0.00 C ATOM 1289 C SER A 79 -4.805 -4.830 -9.122 1.00 0.00 C ATOM 1290 O SER A 79 -5.536 -4.135 -9.825 1.00 0.00 O ATOM 1291 CB SER A 79 -3.019 -6.191 -10.224 1.00 0.00 C ATOM 1292 OG SER A 79 -4.091 -6.502 -11.100 1.00 0.00 O ATOM 0 H SER A 79 -2.996 -4.472 -7.399 1.00 0.00 H new ATOM 0 HA SER A 79 -3.029 -4.048 -10.012 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.103 -6.058 -10.799 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.849 -7.025 -9.542 1.00 0.00 H new ATOM 0 HG SER A 79 -3.878 -7.316 -11.602 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.302 -5.576 -8.124 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.713 -5.600 -7.809 1.00 0.00 C ATOM 1300 C PRO A 80 -7.129 -4.714 -6.643 1.00 0.00 C ATOM 1301 O PRO A 80 -7.739 -3.664 -6.852 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.934 -7.074 -7.479 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.604 -7.580 -6.982 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.570 -6.510 -7.270 1.00 0.00 C ATOM 0 HA PRO A 80 -7.312 -5.206 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.708 -7.195 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.261 -7.628 -8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.650 -7.791 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.339 -8.513 -7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.217 -6.032 -6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.694 -6.919 -7.774 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.818 -5.124 -5.418 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.195 -4.329 -4.263 1.00 0.00 C ATOM 1314 C LEU A 81 -6.054 -3.421 -3.870 1.00 0.00 C ATOM 1315 O LEU A 81 -6.098 -2.741 -2.845 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.592 -5.225 -3.095 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.084 -5.554 -3.021 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.907 -4.278 -2.907 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.511 -6.355 -4.242 1.00 0.00 C ATOM 0 H LEU A 81 -6.316 -5.986 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.058 -3.718 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.031 -6.157 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.294 -4.740 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.261 -6.158 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.966 -4.531 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.619 -3.738 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.726 -3.649 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.575 -6.581 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.320 -5.773 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.944 -7.285 -4.283 1.00 0.00 H new ATOM 1331 N THR A 82 -5.029 -3.420 -4.703 1.00 0.00 N ATOM 1332 CA THR A 82 -3.864 -2.610 -4.475 1.00 0.00 C ATOM 1333 C THR A 82 -3.580 -1.713 -5.670 1.00 0.00 C ATOM 1334 O THR A 82 -2.684 -0.875 -5.622 1.00 0.00 O ATOM 1335 CB THR A 82 -2.671 -3.498 -4.176 1.00 0.00 C ATOM 1336 OG1 THR A 82 -3.077 -4.846 -4.004 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.944 -3.076 -2.919 1.00 0.00 C ATOM 0 H THR A 82 -4.988 -3.982 -5.553 1.00 0.00 H new ATOM 0 HA THR A 82 -4.051 -1.967 -3.615 1.00 0.00 H new ATOM 0 HB THR A 82 -2.001 -3.401 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.130 -5.052 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.098 -3.742 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.584 -2.054 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.625 -3.128 -2.070 1.00 0.00 H new ATOM 1345 N SER A 83 -4.358 -1.865 -6.744 1.00 0.00 N ATOM 1346 CA SER A 83 -4.158 -1.030 -7.915 1.00 0.00 C ATOM 1347 C SER A 83 -4.911 0.289 -7.765 1.00 0.00 C ATOM 1348 O SER A 83 -5.277 0.935 -8.747 1.00 0.00 O ATOM 1349 CB SER A 83 -4.608 -1.742 -9.186 1.00 0.00 C ATOM 1350 OG SER A 83 -4.608 -0.859 -10.295 1.00 0.00 O ATOM 0 H SER A 83 -5.115 -2.545 -6.821 1.00 0.00 H new ATOM 0 HA SER A 83 -3.091 -0.825 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.946 -2.584 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.608 -2.150 -9.043 1.00 0.00 H new ATOM 0 HG SER A 83 -5.200 -0.100 -10.109 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.112 0.679 -6.519 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.790 1.916 -6.173 1.00 0.00 C ATOM 1358 C ASN A 84 -5.051 2.506 -4.996 1.00 0.00 C ATOM 1359 O ASN A 84 -4.691 3.682 -4.985 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.256 1.658 -5.818 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.115 2.897 -5.972 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.040 3.596 -6.982 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.938 3.176 -4.967 1.00 0.00 N ATOM 0 H ASN A 84 -4.806 0.140 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.788 2.604 -7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.648 0.866 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.321 1.300 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.540 3.998 -5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.967 2.568 -4.148 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.768 1.638 -4.031 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.000 2.019 -2.873 1.00 0.00 C ATOM 1372 C LEU A 85 -2.578 2.335 -3.325 1.00 0.00 C ATOM 1373 O LEU A 85 -1.823 3.004 -2.619 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.991 0.885 -1.839 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.675 1.315 -0.402 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.577 0.592 0.587 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.211 1.055 -0.077 1.00 0.00 C ATOM 0 H LEU A 85 -5.065 0.662 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.446 2.896 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.966 0.398 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.258 0.139 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.863 2.385 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.336 0.912 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.619 0.829 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.424 -0.484 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.005 1.366 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.998 -0.009 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.580 1.621 -0.762 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.221 1.848 -4.526 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.898 2.086 -5.074 1.00 0.00 C ATOM 1391 C ILE A 86 -0.732 3.554 -5.462 1.00 0.00 C ATOM 1392 O ILE A 86 0.188 4.229 -5.001 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.615 1.169 -6.294 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.331 0.035 -5.893 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.027 1.948 -7.467 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.171 -0.787 -4.728 1.00 0.00 C ATOM 0 H ILE A 86 -2.834 1.292 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.171 1.844 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.568 0.751 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.484 -0.620 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.303 0.457 -5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.156 1.269 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.728 2.722 -7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.912 2.410 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.550 -1.572 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.297 -0.144 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.129 -1.238 -4.987 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.632 4.038 -6.312 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.588 5.425 -6.763 1.00 0.00 C ATOM 1410 C ASN A 87 -1.900 6.376 -5.613 1.00 0.00 C ATOM 1411 O ASN A 87 -1.445 7.520 -5.600 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.580 5.643 -7.906 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.513 7.049 -8.469 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.642 7.837 -8.100 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.436 7.371 -9.368 1.00 0.00 N ATOM 0 H ASN A 87 -2.400 3.491 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.581 5.635 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.377 4.926 -8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.591 5.445 -7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.442 8.303 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.139 6.686 -9.645 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.677 5.893 -4.648 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.049 6.700 -3.493 1.00 0.00 C ATOM 1424 C LEU A 88 -1.892 6.801 -2.506 1.00 0.00 C ATOM 1425 O LEU A 88 -1.749 7.803 -1.806 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.277 6.103 -2.802 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.219 7.123 -2.161 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.659 6.643 -2.242 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.821 7.380 -0.716 1.00 0.00 C ATOM 0 H LEU A 88 -3.060 4.948 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.291 7.703 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.839 5.521 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.940 5.409 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.139 8.060 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.315 7.381 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.940 6.510 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.756 5.693 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.502 8.108 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.872 6.448 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.803 7.768 -0.683 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.067 5.759 -2.453 1.00 0.00 N ATOM 1442 CA LEU A 89 0.075 5.745 -1.549 1.00 0.00 C ATOM 1443 C LEU A 89 1.174 6.673 -2.052 1.00 0.00 C ATOM 1444 O LEU A 89 1.916 7.259 -1.265 1.00 0.00 O ATOM 1445 CB LEU A 89 0.614 4.322 -1.393 1.00 0.00 C ATOM 1446 CG LEU A 89 0.079 3.564 -0.179 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.581 2.129 -0.182 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.481 4.271 1.107 1.00 0.00 C ATOM 0 H LEU A 89 -1.168 4.919 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.257 6.103 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.372 3.756 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.701 4.365 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.009 3.545 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.190 1.605 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.243 1.627 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.670 2.125 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.092 3.719 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.568 4.321 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.071 5.281 1.110 1.00 0.00 H new ATOM 1460 N ALA A 90 1.266 6.807 -3.371 1.00 0.00 N ATOM 1461 CA ALA A 90 2.269 7.669 -3.982 1.00 0.00 C ATOM 1462 C ALA A 90 1.618 8.893 -4.620 1.00 0.00 C ATOM 1463 O ALA A 90 2.178 9.501 -5.532 1.00 0.00 O ATOM 1464 CB ALA A 90 3.071 6.896 -5.018 1.00 0.00 C ATOM 0 H ALA A 90 0.658 6.330 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 90 2.946 8.012 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.816 7.553 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.571 6.055 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.401 6.525 -5.794 1.00 0.00 H new ATOM 1470 N GLU A 91 0.432 9.251 -4.134 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.291 10.402 -4.659 1.00 0.00 C ATOM 1472 C GLU A 91 0.126 11.681 -3.940 1.00 0.00 C ATOM 1473 O GLU A 91 0.296 12.729 -4.564 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.801 10.189 -4.517 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.572 10.422 -5.806 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.863 9.632 -5.865 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.570 9.572 -4.837 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.169 9.072 -6.939 1.00 0.00 O ATOM 0 H GLU A 91 -0.047 8.760 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.044 10.505 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.985 9.172 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.184 10.860 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.796 11.484 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.945 10.149 -6.654 1.00 0.00 H new ATOM 1485 N ASN A 92 0.288 11.588 -2.624 1.00 0.00 N ATOM 1486 CA ASN A 92 0.686 12.738 -1.820 1.00 0.00 C ATOM 1487 C ASN A 92 2.086 12.547 -1.250 1.00 0.00 C ATOM 1488 O ASN A 92 2.847 13.504 -1.112 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.315 12.963 -0.686 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.544 13.724 -1.140 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.681 14.059 -2.316 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.447 14.002 -0.206 1.00 0.00 N ATOM 0 H ASN A 92 0.150 10.729 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 92 0.696 13.616 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.619 11.999 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.171 13.512 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.295 14.513 -0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.292 13.705 0.757 1.00 0.00 H new ATOM 1499 N GLY A 93 2.421 11.304 -0.917 1.00 0.00 N ATOM 1500 CA GLY A 93 3.730 11.011 -0.364 1.00 0.00 C ATOM 1501 C GLY A 93 3.653 10.148 0.880 1.00 0.00 C ATOM 1502 O GLY A 93 4.284 10.450 1.893 1.00 0.00 O ATOM 0 H GLY A 93 1.809 10.495 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.334 10.505 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.237 11.945 -0.124 1.00 0.00 H new ATOM 1506 N ARG A 94 2.876 9.072 0.803 1.00 0.00 N ATOM 1507 CA ARG A 94 2.717 8.163 1.931 1.00 0.00 C ATOM 1508 C ARG A 94 3.631 6.949 1.787 1.00 0.00 C ATOM 1509 O ARG A 94 3.309 5.860 2.262 1.00 0.00 O ATOM 1510 CB ARG A 94 1.260 7.710 2.046 1.00 0.00 C ATOM 1511 CG ARG A 94 0.726 7.729 3.470 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.189 8.919 3.712 1.00 0.00 C ATOM 1513 NE ARG A 94 0.468 9.967 4.491 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.282 10.882 3.968 1.00 0.00 C ATOM 1515 NH1 ARG A 94 1.544 10.885 2.666 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.836 11.799 4.750 1.00 0.00 N ATOM 0 H ARG A 94 2.347 8.809 -0.029 1.00 0.00 H new ATOM 0 HA ARG A 94 2.997 8.698 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.638 8.355 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.170 6.700 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.182 6.805 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.560 7.763 4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.512 9.328 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.085 8.586 4.236 1.00 0.00 H new ATOM 0 HE ARG A 94 0.292 9.999 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.121 10.183 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.169 11.589 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.638 11.803 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.460 12.500 4.351 1.00 0.00 H new ATOM 1530 N LEU A 95 4.772 7.145 1.135 1.00 0.00 N ATOM 1531 CA LEU A 95 5.732 6.064 0.936 1.00 0.00 C ATOM 1532 C LEU A 95 6.831 6.123 1.991 1.00 0.00 C ATOM 1533 O LEU A 95 7.999 5.860 1.711 1.00 0.00 O ATOM 1534 CB LEU A 95 6.337 6.135 -0.469 1.00 0.00 C ATOM 1535 CG LEU A 95 6.228 4.846 -1.285 1.00 0.00 C ATOM 1536 CD1 LEU A 95 4.785 4.371 -1.346 1.00 0.00 C ATOM 1537 CD2 LEU A 95 6.782 5.057 -2.687 1.00 0.00 C ATOM 0 H LEU A 95 5.055 8.040 0.736 1.00 0.00 H new ATOM 0 HA LEU A 95 5.206 5.115 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.847 6.938 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.390 6.404 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 95 6.820 4.075 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.729 3.453 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.422 4.181 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.169 5.138 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.697 4.131 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.216 5.843 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.830 5.349 -2.624 1.00 0.00 H new ATOM 1549 N THR A 96 6.432 6.462 3.209 1.00 0.00 N ATOM 1550 CA THR A 96 7.354 6.554 4.334 1.00 0.00 C ATOM 1551 C THR A 96 6.744 5.879 5.555 1.00 0.00 C ATOM 1552 O THR A 96 7.426 5.177 6.301 1.00 0.00 O ATOM 1553 CB THR A 96 7.676 8.016 4.644 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.522 8.697 5.104 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.214 8.777 3.452 1.00 0.00 C ATOM 0 H THR A 96 5.464 6.680 3.445 1.00 0.00 H new ATOM 0 HA THR A 96 8.282 6.046 4.071 1.00 0.00 H new ATOM 0 HB THR A 96 8.449 7.984 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.749 9.630 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.421 9.807 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.133 8.306 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.475 8.767 2.650 1.00 0.00 H new ATOM 1563 N ASN A 97 5.443 6.087 5.735 1.00 0.00 N ATOM 1564 CA ASN A 97 4.714 5.493 6.844 1.00 0.00 C ATOM 1565 C ASN A 97 3.891 4.299 6.364 1.00 0.00 C ATOM 1566 O ASN A 97 3.184 3.664 7.148 1.00 0.00 O ATOM 1567 CB ASN A 97 3.799 6.535 7.491 1.00 0.00 C ATOM 1568 CG ASN A 97 2.735 7.046 6.537 1.00 0.00 C ATOM 1569 OD1 ASN A 97 2.071 6.268 5.853 1.00 0.00 O ATOM 1570 ND2 ASN A 97 2.568 8.363 6.489 1.00 0.00 N ATOM 0 H ASN A 97 4.871 6.667 5.121 1.00 0.00 H new ATOM 0 HA ASN A 97 5.434 5.144 7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.318 6.098 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.400 7.373 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.867 8.766 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.141 8.971 7.074 1.00 0.00 H new ATOM 1577 N THR A 98 3.986 3.999 5.065 1.00 0.00 N ATOM 1578 CA THR A 98 3.254 2.887 4.469 1.00 0.00 C ATOM 1579 C THR A 98 3.335 1.625 5.331 1.00 0.00 C ATOM 1580 O THR A 98 2.310 1.086 5.746 1.00 0.00 O ATOM 1581 CB THR A 98 3.794 2.598 3.067 1.00 0.00 C ATOM 1582 OG1 THR A 98 4.543 3.698 2.583 1.00 0.00 O ATOM 1583 CG2 THR A 98 2.707 2.303 2.059 1.00 0.00 C ATOM 0 H THR A 98 4.567 4.517 4.406 1.00 0.00 H new ATOM 0 HA THR A 98 2.205 3.177 4.405 1.00 0.00 H new ATOM 0 HB THR A 98 4.419 1.711 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.932 4.411 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.157 2.107 1.086 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.141 1.429 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.038 3.161 1.983 1.00 0.00 H new ATOM 1591 N PRO A 99 4.556 1.131 5.614 1.00 0.00 N ATOM 1592 CA PRO A 99 4.749 -0.073 6.428 1.00 0.00 C ATOM 1593 C PRO A 99 3.932 -0.038 7.714 1.00 0.00 C ATOM 1594 O PRO A 99 3.547 -1.080 8.245 1.00 0.00 O ATOM 1595 CB PRO A 99 6.256 -0.074 6.741 1.00 0.00 C ATOM 1596 CG PRO A 99 6.778 1.238 6.251 1.00 0.00 C ATOM 1597 CD PRO A 99 5.838 1.690 5.172 1.00 0.00 C ATOM 0 HA PRO A 99 4.418 -0.970 5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.433 -0.190 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.758 -0.904 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.819 1.967 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.792 1.133 5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.802 2.777 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.131 1.310 4.193 1.00 0.00 H new ATOM 1605 N ALA A 100 3.661 1.165 8.206 1.00 0.00 N ATOM 1606 CA ALA A 100 2.880 1.330 9.424 1.00 0.00 C ATOM 1607 C ALA A 100 1.393 1.151 9.136 1.00 0.00 C ATOM 1608 O ALA A 100 0.635 0.689 9.989 1.00 0.00 O ATOM 1609 CB ALA A 100 3.145 2.696 10.043 1.00 0.00 C ATOM 0 H ALA A 100 3.970 2.039 7.780 1.00 0.00 H new ATOM 0 HA ALA A 100 3.185 0.563 10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.554 2.804 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.204 2.786 10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.867 3.477 9.335 1.00 0.00 H new ATOM 1615 N VAL A 101 0.987 1.513 7.924 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.404 1.387 7.513 1.00 0.00 C ATOM 1617 C VAL A 101 -0.766 -0.074 7.263 1.00 0.00 C ATOM 1618 O VAL A 101 -1.923 -0.470 7.401 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.687 2.201 6.236 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.168 2.162 5.890 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.206 3.635 6.400 1.00 0.00 C ATOM 0 H VAL A 101 1.604 1.897 7.208 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.015 1.779 8.326 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.136 1.749 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.346 2.743 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.476 1.130 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.745 2.585 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.414 4.195 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.726 4.100 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.867 3.639 6.591 1.00 0.00 H new ATOM 1631 N ILE A 102 0.233 -0.870 6.892 1.00 0.00 N ATOM 1632 CA ILE A 102 0.020 -2.286 6.621 1.00 0.00 C ATOM 1633 C ILE A 102 -0.271 -3.057 7.906 1.00 0.00 C ATOM 1634 O ILE A 102 -1.066 -3.997 7.907 1.00 0.00 O ATOM 1635 CB ILE A 102 1.247 -2.913 5.929 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.645 -2.090 4.703 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.957 -4.354 5.535 1.00 0.00 C ATOM 1638 CD1 ILE A 102 2.908 -2.581 4.031 1.00 0.00 C ATOM 0 H ILE A 102 1.197 -0.558 6.773 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.842 -2.355 5.957 1.00 0.00 H new ATOM 0 HB ILE A 102 2.081 -2.911 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.828 -2.109 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.782 -1.051 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.833 -4.781 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.718 -4.934 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.111 -4.380 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.130 -1.951 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.737 -2.536 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.768 -3.610 3.701 1.00 0.00 H new ATOM 1650 N SER A 103 0.379 -2.658 8.996 1.00 0.00 N ATOM 1651 CA SER A 103 0.188 -3.318 10.282 1.00 0.00 C ATOM 1652 C SER A 103 -1.268 -3.242 10.722 1.00 0.00 C ATOM 1653 O SER A 103 -1.876 -4.257 11.061 1.00 0.00 O ATOM 1654 CB SER A 103 1.089 -2.686 11.345 1.00 0.00 C ATOM 1655 OG SER A 103 2.383 -3.266 11.327 1.00 0.00 O ATOM 0 H SER A 103 1.041 -1.882 9.014 1.00 0.00 H new ATOM 0 HA SER A 103 0.459 -4.367 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.166 -1.613 11.170 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.642 -2.817 12.330 1.00 0.00 H new ATOM 0 HG SER A 103 2.716 -3.351 12.245 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.828 -2.037 10.706 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.219 -1.840 11.094 1.00 0.00 C ATOM 1663 C ALA A 104 -4.140 -2.739 10.274 1.00 0.00 C ATOM 1664 O ALA A 104 -5.243 -3.075 10.702 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.613 -0.381 10.927 1.00 0.00 C ATOM 0 H ALA A 104 -1.341 -1.185 10.429 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.325 -2.111 12.145 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.654 -0.249 11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.977 0.242 11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.490 -0.088 9.884 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.670 -3.125 9.092 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.437 -3.986 8.202 1.00 0.00 C ATOM 1673 C PHE A 105 -4.699 -5.344 8.841 1.00 0.00 C ATOM 1674 O PHE A 105 -5.830 -5.828 8.850 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.685 -4.180 6.887 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.573 -4.556 5.737 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.963 -5.872 5.540 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.015 -3.591 4.851 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.778 -6.213 4.480 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.827 -3.927 3.790 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.209 -5.239 3.604 1.00 0.00 C ATOM 0 H PHE A 105 -2.757 -2.853 8.728 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.395 -3.503 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.156 -3.259 6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.930 -4.955 7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.626 -6.638 6.223 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.720 -2.562 4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.078 -7.241 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.164 -3.164 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.845 -5.504 2.773 1.00 0.00 H new ATOM 1691 N SER A 106 -3.645 -5.961 9.362 1.00 0.00 N ATOM 1692 CA SER A 106 -3.765 -7.271 9.989 1.00 0.00 C ATOM 1693 C SER A 106 -4.651 -7.216 11.227 1.00 0.00 C ATOM 1694 O SER A 106 -5.241 -8.223 11.621 1.00 0.00 O ATOM 1695 CB SER A 106 -2.384 -7.817 10.355 1.00 0.00 C ATOM 1696 OG SER A 106 -2.315 -9.216 10.140 1.00 0.00 O ATOM 0 H SER A 106 -2.700 -5.576 9.363 1.00 0.00 H new ATOM 0 HA SER A 106 -4.233 -7.941 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.622 -7.316 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.167 -7.595 11.400 1.00 0.00 H new ATOM 0 HG SER A 106 -2.410 -9.405 9.183 1.00 0.00 H new ATOM 1702 N THR A 107 -4.747 -6.043 11.839 1.00 0.00 N ATOM 1703 CA THR A 107 -5.572 -5.880 13.028 1.00 0.00 C ATOM 1704 C THR A 107 -6.992 -5.496 12.642 1.00 0.00 C ATOM 1705 O THR A 107 -7.951 -5.882 13.309 1.00 0.00 O ATOM 1706 CB THR A 107 -4.971 -4.827 13.960 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.653 -5.185 14.337 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.772 -4.621 15.228 1.00 0.00 C ATOM 0 H THR A 107 -4.267 -5.196 11.534 1.00 0.00 H new ATOM 0 HA THR A 107 -5.602 -6.832 13.557 1.00 0.00 H new ATOM 0 HB THR A 107 -4.980 -3.898 13.390 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.285 -4.498 14.932 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.290 -3.861 15.843 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.780 -4.295 14.973 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.823 -5.558 15.782 1.00 0.00 H new ATOM 1716 N MET A 108 -7.124 -4.750 11.552 1.00 0.00 N ATOM 1717 CA MET A 108 -8.434 -4.340 11.077 1.00 0.00 C ATOM 1718 C MET A 108 -9.071 -5.464 10.273 1.00 0.00 C ATOM 1719 O MET A 108 -10.295 -5.576 10.210 1.00 0.00 O ATOM 1720 CB MET A 108 -8.329 -3.074 10.228 1.00 0.00 C ATOM 1721 CG MET A 108 -7.938 -1.839 11.024 1.00 0.00 C ATOM 1722 SD MET A 108 -9.198 -1.357 12.220 1.00 0.00 S ATOM 1723 CE MET A 108 -8.979 0.420 12.244 1.00 0.00 C ATOM 0 H MET A 108 -6.343 -4.420 10.985 1.00 0.00 H new ATOM 0 HA MET A 108 -9.063 -4.121 11.940 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.594 -3.235 9.439 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.287 -2.893 9.740 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.001 -2.030 11.546 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.758 -1.011 10.338 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.090 0.787 13.264 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.984 0.669 11.876 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.729 0.888 11.607 1.00 0.00 H new ATOM 1733 N MET A 109 -8.234 -6.310 9.676 1.00 0.00 N ATOM 1734 CA MET A 109 -8.732 -7.432 8.901 1.00 0.00 C ATOM 1735 C MET A 109 -9.361 -8.460 9.831 1.00 0.00 C ATOM 1736 O MET A 109 -10.418 -9.005 9.539 1.00 0.00 O ATOM 1737 CB MET A 109 -7.605 -8.068 8.076 1.00 0.00 C ATOM 1738 CG MET A 109 -6.663 -8.948 8.884 1.00 0.00 C ATOM 1739 SD MET A 109 -5.466 -9.814 7.850 1.00 0.00 S ATOM 1740 CE MET A 109 -5.802 -11.516 8.297 1.00 0.00 C ATOM 0 H MET A 109 -7.217 -6.237 9.716 1.00 0.00 H new ATOM 0 HA MET A 109 -9.491 -7.070 8.207 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.046 -8.664 7.277 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.026 -7.276 7.600 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.132 -8.334 9.611 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.246 -9.677 9.447 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.139 -12.177 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.634 -11.652 9.365 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.838 -11.757 8.059 1.00 0.00 H new ATOM 1750 N SER A 110 -8.715 -8.710 10.969 1.00 0.00 N ATOM 1751 CA SER A 110 -9.239 -9.668 11.936 1.00 0.00 C ATOM 1752 C SER A 110 -10.679 -9.332 12.303 1.00 0.00 C ATOM 1753 O SER A 110 -11.448 -10.208 12.701 1.00 0.00 O ATOM 1754 CB SER A 110 -8.367 -9.690 13.193 1.00 0.00 C ATOM 1755 OG SER A 110 -7.027 -10.029 12.879 1.00 0.00 O ATOM 0 H SER A 110 -7.837 -8.267 11.241 1.00 0.00 H new ATOM 0 HA SER A 110 -9.221 -10.657 11.478 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.395 -8.713 13.676 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.770 -10.409 13.906 1.00 0.00 H new ATOM 0 HG SER A 110 -6.593 -9.271 12.435 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.044 -8.062 12.159 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.396 -7.622 12.470 1.00 0.00 C ATOM 1763 C VAL A 111 -13.356 -7.924 11.322 1.00 0.00 C ATOM 1764 O VAL A 111 -14.573 -7.853 11.490 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.438 -6.112 12.775 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.813 -5.707 13.281 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -11.360 -5.740 13.781 1.00 0.00 C ATOM 0 H VAL A 111 -10.423 -7.323 11.830 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.711 -8.175 13.355 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.243 -5.568 11.851 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.823 -4.637 13.491 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.562 -5.935 12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.042 -6.258 14.193 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.405 -4.670 13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.520 -6.292 14.707 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.380 -5.991 13.374 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.809 -8.262 10.153 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.621 -8.569 8.995 1.00 0.00 C ATOM 1779 C HIS A 112 -14.091 -10.019 9.026 1.00 0.00 C ATOM 1780 O HIS A 112 -15.125 -10.359 8.450 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.814 -8.290 7.729 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.115 -9.489 7.168 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.360 -10.366 7.918 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.073 -9.950 5.910 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.883 -11.315 7.134 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.304 -11.086 5.907 1.00 0.00 N ATOM 0 H HIS A 112 -11.804 -8.328 9.992 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.509 -7.937 9.005 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.481 -7.884 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.073 -7.521 7.946 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.196 -10.293 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.558 -9.507 5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.256 -12.137 7.445 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.320 -10.874 9.693 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.661 -12.286 9.783 1.00 0.00 C ATOM 1797 C ARG A 113 -14.832 -12.501 10.736 1.00 0.00 C ATOM 1798 O ARG A 113 -15.636 -13.414 10.550 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.450 -13.096 10.250 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.351 -14.469 9.605 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.904 -14.876 9.380 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.204 -15.130 10.637 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.444 -16.180 11.419 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -11.361 -17.076 11.077 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -9.762 -16.337 12.546 1.00 0.00 N ATOM 0 H ARG A 113 -12.460 -10.613 10.176 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.956 -12.628 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.542 -12.535 10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.498 -13.215 11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.843 -15.206 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.881 -14.464 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.872 -15.772 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.388 -14.089 8.830 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.490 -14.464 10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.887 -16.962 10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.540 -17.878 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.054 -15.653 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.946 -17.142 13.145 1.00 0.00 H new ATOM 1819 N GLY A 114 -14.920 -11.654 11.759 1.00 0.00 N ATOM 1820 CA GLY A 114 -15.995 -11.769 12.725 1.00 0.00 C ATOM 1821 C GLY A 114 -17.362 -11.582 12.098 1.00 0.00 C ATOM 1822 O GLY A 114 -18.320 -12.261 12.467 1.00 0.00 O ATOM 0 H GLY A 114 -14.266 -10.891 11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.948 -12.749 13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.854 -11.026 13.510 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.452 -10.658 11.146 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.713 -10.383 10.466 1.00 0.00 C ATOM 1828 C GLU A 115 -19.019 -11.461 9.431 1.00 0.00 C ATOM 1829 O GLU A 115 -20.120 -12.012 9.401 1.00 0.00 O ATOM 1830 CB GLU A 115 -18.663 -9.011 9.791 1.00 0.00 C ATOM 1831 CG GLU A 115 -19.123 -7.875 10.688 1.00 0.00 C ATOM 1832 CD GLU A 115 -19.400 -6.598 9.916 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -20.077 -6.674 8.869 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -18.940 -5.526 10.360 1.00 0.00 O ATOM 0 H GLU A 115 -16.668 -10.088 10.829 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.508 -10.385 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.642 -8.814 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.286 -9.032 8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -20.026 -8.178 11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.361 -7.681 11.443 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.038 -11.758 8.585 1.00 0.00 N ATOM 1842 CA VAL A 116 -18.204 -12.770 7.549 1.00 0.00 C ATOM 1843 C VAL A 116 -17.434 -14.043 7.896 1.00 0.00 C ATOM 1844 O VAL A 116 -16.300 -14.232 7.456 1.00 0.00 O ATOM 1845 CB VAL A 116 -17.728 -12.254 6.178 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -18.717 -11.248 5.612 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -16.339 -11.643 6.291 1.00 0.00 C ATOM 0 H VAL A 116 -17.121 -11.312 8.597 1.00 0.00 H new ATOM 0 HA VAL A 116 -19.269 -12.995 7.494 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.674 -13.099 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.363 -10.895 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -19.691 -11.723 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.808 -10.403 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -16.019 -11.284 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -16.364 -10.810 6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -15.638 -12.397 6.648 1.00 0.00 H new ATOM 1857 N PRO A 117 -18.045 -14.936 8.693 1.00 0.00 N ATOM 1858 CA PRO A 117 -17.412 -16.196 9.097 1.00 0.00 C ATOM 1859 C PRO A 117 -17.283 -17.177 7.937 1.00 0.00 C ATOM 1860 O PRO A 117 -16.264 -17.853 7.793 1.00 0.00 O ATOM 1861 CB PRO A 117 -18.363 -16.748 10.161 1.00 0.00 C ATOM 1862 CG PRO A 117 -19.688 -16.152 9.829 1.00 0.00 C ATOM 1863 CD PRO A 117 -19.399 -14.790 9.261 1.00 0.00 C ATOM 0 HA PRO A 117 -16.394 -16.043 9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -18.400 -17.837 10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -18.042 -16.466 11.164 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -20.224 -16.770 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -20.317 -16.079 10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -20.126 -14.510 8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -19.431 -14.019 10.031 1.00 0.00 H new ATOM 1871 N CYS A 118 -18.322 -17.250 7.112 1.00 0.00 N ATOM 1872 CA CYS A 118 -18.325 -18.149 5.963 1.00 0.00 C ATOM 1873 C CYS A 118 -19.519 -17.871 5.057 1.00 0.00 C ATOM 1874 O CYS A 118 -19.384 -17.812 3.835 1.00 0.00 O ATOM 1875 CB CYS A 118 -18.352 -19.606 6.430 1.00 0.00 C ATOM 1876 SG CYS A 118 -19.587 -19.950 7.705 1.00 0.00 S ATOM 0 H CYS A 118 -19.173 -16.698 7.217 1.00 0.00 H new ATOM 0 HA CYS A 118 -17.412 -17.974 5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -18.544 -20.248 5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -17.367 -19.872 6.813 1.00 0.00 H new ATOM 0 HG CYS A 118 -19.534 -21.207 8.032 1.00 0.00 H new ATOM 1882 N THR A 119 -20.689 -17.700 5.665 1.00 0.00 N ATOM 1883 CA THR A 119 -21.909 -17.427 4.913 1.00 0.00 C ATOM 1884 C THR A 119 -22.937 -16.714 5.784 1.00 0.00 C ATOM 1885 O THR A 119 -23.482 -17.299 6.720 1.00 0.00 O ATOM 1886 CB THR A 119 -22.499 -18.730 4.369 1.00 0.00 C ATOM 1887 OG1 THR A 119 -21.486 -19.704 4.193 1.00 0.00 O ATOM 1888 CG2 THR A 119 -23.206 -18.557 3.042 1.00 0.00 C ATOM 0 H THR A 119 -20.818 -17.746 6.676 1.00 0.00 H new ATOM 0 HA THR A 119 -21.654 -16.775 4.078 1.00 0.00 H new ATOM 0 HB THR A 119 -23.229 -19.050 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 119 -21.883 -20.530 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 119 -23.601 -19.518 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 119 -24.026 -17.848 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 119 -22.501 -18.181 2.301 1.00 0.00 H new ATOM 1896 N VAL A 120 -23.196 -15.446 5.466 1.00 0.00 N ATOM 1897 CA VAL A 120 -24.159 -14.637 6.212 1.00 0.00 C ATOM 1898 C VAL A 120 -24.023 -14.843 7.719 1.00 0.00 C ATOM 1899 O VAL A 120 -25.004 -14.577 8.443 1.00 0.00 O ATOM 1900 CB VAL A 120 -25.609 -14.952 5.790 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -25.825 -14.604 4.325 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -25.942 -16.413 6.052 1.00 0.00 C ATOM 1903 OXT VAL A 120 -22.935 -15.270 8.160 1.00 0.00 O ATOM 0 H VAL A 120 -22.749 -14.955 4.692 1.00 0.00 H new ATOM 0 HA VAL A 120 -23.935 -13.597 5.975 1.00 0.00 H new ATOM 0 HB VAL A 120 -26.281 -14.339 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -26.853 -14.833 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -25.635 -13.542 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -25.142 -15.188 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -26.969 -16.612 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -25.264 -17.049 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -25.831 -16.626 7.115 1.00 0.00 H new TER 1913 VAL A 120