USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1009 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 116 SER OG : rot 50:sc= -0.104 USER MOD Set 1.2: A 118 THR OG1 : rot 131:sc= 1.98 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.694 K(o=-2.4,f=-4.4!) USER MOD Set 2.2: A 100 MET CE :methyl -113:sc= -1.48! (180deg=-0.155) USER MOD Set 2.3: A 112 MET CE :methyl 150:sc= -0.19 (180deg=-0.623) USER MOD Set 3.1: A 23 GLN : amide:sc= 0.0159 K(o=0.93,f=-8!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ -157:sc= 0.915 (180deg=0.347) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0358 (180deg=-0.281) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.307 (180deg=0.203) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= -1.09 (180deg=-1.19) USER MOD Single : A 7 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.35) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 81:sc= 1.26 USER MOD Single : A 21 HIS : no HE2:sc= 0.385 K(o=0.38,f=-1.4) USER MOD Single : A 22 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.015) USER MOD Single : A 27 SER OG : rot 180:sc= 0.341 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= -0.911 (180deg=-2.66!) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.252 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 57 SER OG : rot 82:sc= 1.25 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -122:sc= 0 (180deg=-1.34) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -163:sc= -0.909 (180deg=-1.38) USER MOD Single : A 73 GLN : amide:sc= -0.81 X(o=-0.81,f=-0.55) USER MOD Single : A 77 THR OG1 : rot -170:sc= -0.649 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.77) USER MOD Single : A 84 MET CE :methyl 164:sc= -0.597 (180deg=-1.24) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -0.0271 (180deg=-0.334) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -31:sc= 0.304 USER MOD Single : A 101 THR OG1 : rot -73:sc= 1.38 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -170:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.839 -5.019 -5.294 1.00 0.00 N ATOM 2 CA MET A 1 -13.651 -3.590 -5.641 1.00 0.00 C ATOM 3 C MET A 1 -13.416 -2.756 -4.374 1.00 0.00 C ATOM 4 O MET A 1 -12.554 -1.865 -4.352 1.00 0.00 O ATOM 5 CB MET A 1 -14.890 -3.054 -6.415 1.00 0.00 C ATOM 6 CG MET A 1 -14.793 -1.584 -6.864 1.00 0.00 C ATOM 7 SD MET A 1 -16.283 -0.992 -7.699 1.00 0.00 S ATOM 8 CE MET A 1 -16.325 -2.020 -9.170 1.00 0.00 C ATOM 0 H1 MET A 1 -13.929 -5.579 -6.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.019 -5.355 -4.750 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.701 -5.127 -4.723 1.00 0.00 H new ATOM 0 HA MET A 1 -12.773 -3.503 -6.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.047 -3.677 -7.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.771 -3.168 -5.783 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.599 -0.957 -5.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.940 -1.471 -7.534 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.046 -1.613 -9.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.337 -2.039 -9.629 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.617 -3.034 -8.897 1.00 0.00 H new ATOM 18 N LYS A 2 -14.186 -3.054 -3.310 1.00 0.00 N ATOM 19 CA LYS A 2 -14.199 -2.240 -2.078 1.00 0.00 C ATOM 20 C LYS A 2 -13.402 -2.930 -0.962 1.00 0.00 C ATOM 21 O LYS A 2 -12.292 -2.490 -0.658 1.00 0.00 O ATOM 22 CB LYS A 2 -15.672 -1.926 -1.676 1.00 0.00 C ATOM 23 CG LYS A 2 -16.464 -1.165 -2.779 1.00 0.00 C ATOM 24 CD LYS A 2 -15.766 0.150 -3.220 1.00 0.00 C ATOM 25 CE LYS A 2 -16.482 0.866 -4.378 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.844 1.313 -4.000 1.00 0.00 N ATOM 0 H LYS A 2 -14.812 -3.859 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.702 -1.287 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.186 -2.860 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.673 -1.331 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.587 -1.814 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.463 -0.935 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.708 0.825 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.742 -0.074 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.892 1.727 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.546 0.195 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.290 1.790 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.416 0.489 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.783 1.974 -3.199 1.00 0.00 H new ATOM 40 N GLU A 3 -13.965 -4.027 -0.398 1.00 0.00 N ATOM 41 CA GLU A 3 -13.331 -4.886 0.644 1.00 0.00 C ATOM 42 C GLU A 3 -13.068 -4.130 1.977 1.00 0.00 C ATOM 43 O GLU A 3 -12.491 -3.037 2.002 1.00 0.00 O ATOM 44 CB GLU A 3 -12.021 -5.579 0.136 1.00 0.00 C ATOM 45 CG GLU A 3 -12.215 -6.649 -0.967 1.00 0.00 C ATOM 46 CD GLU A 3 -12.717 -6.083 -2.310 1.00 0.00 C ATOM 47 OE1 GLU A 3 -11.919 -5.438 -3.021 1.00 0.00 O ATOM 48 OE2 GLU A 3 -13.906 -6.257 -2.654 1.00 0.00 O ATOM 0 H GLU A 3 -14.896 -4.351 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.062 -5.667 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.348 -4.810 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.525 -6.046 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.267 -7.161 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.924 -7.397 -0.612 1.00 0.00 H new ATOM 55 N VAL A 4 -13.459 -4.766 3.097 1.00 0.00 N ATOM 56 CA VAL A 4 -13.273 -4.214 4.460 1.00 0.00 C ATOM 57 C VAL A 4 -11.807 -4.346 4.934 1.00 0.00 C ATOM 58 O VAL A 4 -11.433 -3.762 5.938 1.00 0.00 O ATOM 59 CB VAL A 4 -14.245 -4.903 5.500 1.00 0.00 C ATOM 60 CG1 VAL A 4 -15.726 -4.712 5.096 1.00 0.00 C ATOM 61 CG2 VAL A 4 -13.914 -6.402 5.690 1.00 0.00 C ATOM 0 H VAL A 4 -13.914 -5.679 3.087 1.00 0.00 H new ATOM 0 HA VAL A 4 -13.520 -3.154 4.407 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.090 -4.409 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.369 -5.197 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.958 -3.648 5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.896 -5.157 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.604 -6.838 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.012 -6.920 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.893 -6.505 6.056 1.00 0.00 H new ATOM 71 N GLU A 5 -11.015 -5.137 4.194 1.00 0.00 N ATOM 72 CA GLU A 5 -9.568 -5.346 4.460 1.00 0.00 C ATOM 73 C GLU A 5 -8.800 -3.997 4.532 1.00 0.00 C ATOM 74 O GLU A 5 -7.976 -3.769 5.425 1.00 0.00 O ATOM 75 CB GLU A 5 -8.956 -6.265 3.368 1.00 0.00 C ATOM 76 CG GLU A 5 -7.471 -6.616 3.587 1.00 0.00 C ATOM 77 CD GLU A 5 -6.891 -7.524 2.491 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.069 -8.759 2.566 1.00 0.00 O ATOM 79 OE2 GLU A 5 -6.271 -7.007 1.541 1.00 0.00 O ATOM 0 H GLU A 5 -11.356 -5.658 3.386 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.469 -5.831 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.532 -7.189 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.062 -5.777 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.890 -5.695 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.360 -7.109 4.553 1.00 0.00 H new ATOM 86 N LYS A 6 -9.026 -3.189 3.489 1.00 0.00 N ATOM 87 CA LYS A 6 -8.563 -1.771 3.486 1.00 0.00 C ATOM 88 C LYS A 6 -8.934 -1.027 4.814 1.00 0.00 C ATOM 89 O LYS A 6 -8.127 -0.267 5.361 1.00 0.00 O ATOM 90 CB LYS A 6 -9.171 -0.978 2.299 1.00 0.00 C ATOM 91 CG LYS A 6 -8.668 -1.354 0.882 1.00 0.00 C ATOM 92 CD LYS A 6 -9.310 -2.629 0.299 1.00 0.00 C ATOM 93 CE LYS A 6 -8.993 -2.817 -1.200 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.792 -3.916 -1.806 1.00 0.00 N ATOM 0 H LYS A 6 -9.518 -3.475 2.642 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.478 -1.812 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.253 -1.107 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.973 0.082 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.864 -0.521 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.587 -1.489 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.955 -3.497 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.390 -2.583 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.194 -1.887 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.931 -3.031 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.488 -4.065 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.647 -4.791 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.800 -3.662 -1.790 1.00 0.00 H new ATOM 108 N ASN A 7 -10.165 -1.279 5.291 1.00 0.00 N ATOM 109 CA ASN A 7 -10.663 -0.633 6.542 1.00 0.00 C ATOM 110 C ASN A 7 -9.942 -1.176 7.812 1.00 0.00 C ATOM 111 O ASN A 7 -9.910 -0.491 8.839 1.00 0.00 O ATOM 112 CB ASN A 7 -12.196 -0.810 6.694 1.00 0.00 C ATOM 113 CG ASN A 7 -12.997 -0.310 5.481 1.00 0.00 C ATOM 114 OD1 ASN A 7 -12.578 0.610 4.771 1.00 0.00 O ATOM 115 ND2 ASN A 7 -14.160 -0.907 5.237 1.00 0.00 N ATOM 0 H ASN A 7 -10.831 -1.911 4.847 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.435 0.429 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.417 -1.865 6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.529 -0.275 7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.731 -0.608 4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.481 -1.664 5.840 1.00 0.00 H new ATOM 122 N GLU A 8 -9.396 -2.419 7.726 1.00 0.00 N ATOM 123 CA GLU A 8 -8.479 -2.983 8.762 1.00 0.00 C ATOM 124 C GLU A 8 -7.181 -2.158 8.842 1.00 0.00 C ATOM 125 O GLU A 8 -6.725 -1.802 9.945 1.00 0.00 O ATOM 126 CB GLU A 8 -8.125 -4.493 8.504 1.00 0.00 C ATOM 127 CG GLU A 8 -9.128 -5.527 9.060 1.00 0.00 C ATOM 128 CD GLU A 8 -10.522 -5.494 8.404 1.00 0.00 C ATOM 129 OE1 GLU A 8 -11.384 -4.697 8.836 1.00 0.00 O ATOM 130 OE2 GLU A 8 -10.768 -6.295 7.475 1.00 0.00 O ATOM 0 H GLU A 8 -9.574 -3.054 6.948 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.014 -2.927 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.034 -4.646 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.146 -4.696 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.707 -6.524 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.242 -5.362 10.131 1.00 0.00 H new ATOM 137 N ILE A 9 -6.572 -1.881 7.671 1.00 0.00 N ATOM 138 CA ILE A 9 -5.367 -1.028 7.580 1.00 0.00 C ATOM 139 C ILE A 9 -5.648 0.392 8.122 1.00 0.00 C ATOM 140 O ILE A 9 -4.825 0.946 8.847 1.00 0.00 O ATOM 141 CB ILE A 9 -4.819 -0.956 6.096 1.00 0.00 C ATOM 142 CG1 ILE A 9 -4.455 -2.393 5.564 1.00 0.00 C ATOM 143 CG2 ILE A 9 -3.604 0.011 5.968 1.00 0.00 C ATOM 144 CD1 ILE A 9 -3.353 -3.122 6.343 1.00 0.00 C ATOM 0 H ILE A 9 -6.896 -2.237 6.772 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.597 -1.486 8.201 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.618 -0.551 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.355 -3.007 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.146 -2.309 4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.261 0.029 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.905 1.015 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.795 -0.334 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.179 -4.101 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.434 -2.537 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.662 -3.246 7.381 1.00 0.00 H new ATOM 156 N LYS A 10 -6.826 0.942 7.792 1.00 0.00 N ATOM 157 CA LYS A 10 -7.268 2.274 8.277 1.00 0.00 C ATOM 158 C LYS A 10 -7.402 2.285 9.819 1.00 0.00 C ATOM 159 O LYS A 10 -7.059 3.262 10.477 1.00 0.00 O ATOM 160 CB LYS A 10 -8.622 2.646 7.617 1.00 0.00 C ATOM 161 CG LYS A 10 -9.189 4.024 8.042 1.00 0.00 C ATOM 162 CD LYS A 10 -10.584 4.302 7.452 1.00 0.00 C ATOM 163 CE LYS A 10 -11.153 5.667 7.885 1.00 0.00 C ATOM 164 NZ LYS A 10 -12.528 5.895 7.361 1.00 0.00 N ATOM 0 H LYS A 10 -7.504 0.483 7.183 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.516 3.013 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.498 2.637 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.354 1.876 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.244 4.070 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.502 4.808 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.527 4.265 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.269 3.513 7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.167 5.724 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.495 6.461 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.870 6.825 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.512 5.867 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.163 5.153 7.718 1.00 0.00 H new ATOM 178 N ARG A 11 -7.966 1.188 10.324 1.00 0.00 N ATOM 179 CA ARG A 11 -8.130 0.922 11.764 1.00 0.00 C ATOM 180 C ARG A 11 -6.793 1.032 12.551 1.00 0.00 C ATOM 181 O ARG A 11 -6.695 1.825 13.502 1.00 0.00 O ATOM 182 CB ARG A 11 -8.777 -0.464 11.962 1.00 0.00 C ATOM 183 CG ARG A 11 -9.103 -0.832 13.421 1.00 0.00 C ATOM 184 CD ARG A 11 -9.867 -2.163 13.514 1.00 0.00 C ATOM 185 NE ARG A 11 -11.077 -2.143 12.656 1.00 0.00 N ATOM 186 CZ ARG A 11 -11.458 -3.116 11.812 1.00 0.00 C ATOM 187 NH1 ARG A 11 -10.795 -4.255 11.739 1.00 0.00 N ATOM 188 NH2 ARG A 11 -12.522 -2.939 11.044 1.00 0.00 N ATOM 0 H ARG A 11 -8.332 0.439 9.735 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.786 1.692 12.172 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.697 -0.504 11.379 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.108 -1.221 11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.178 -0.902 13.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.698 -0.038 13.872 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.215 -2.982 13.211 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.154 -2.350 14.549 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.673 -1.317 12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.978 -4.408 12.330 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.100 -4.982 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.048 -2.067 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.815 -3.675 10.401 1.00 0.00 H new ATOM 202 N LEU A 12 -5.777 0.231 12.165 1.00 0.00 N ATOM 203 CA LEU A 12 -4.455 0.252 12.852 1.00 0.00 C ATOM 204 C LEU A 12 -3.718 1.610 12.661 1.00 0.00 C ATOM 205 O LEU A 12 -2.993 2.063 13.565 1.00 0.00 O ATOM 206 CB LEU A 12 -3.583 -0.973 12.426 1.00 0.00 C ATOM 207 CG LEU A 12 -3.330 -1.180 10.887 1.00 0.00 C ATOM 208 CD1 LEU A 12 -2.008 -0.531 10.412 1.00 0.00 C ATOM 209 CD2 LEU A 12 -3.387 -2.674 10.495 1.00 0.00 C ATOM 0 H LEU A 12 -5.838 -0.432 11.392 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.635 0.159 13.923 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.614 -0.885 12.918 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.056 -1.875 12.814 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.141 -0.666 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.882 -0.703 9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.039 0.541 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.171 -0.973 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.208 -2.776 9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.623 -3.224 11.045 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.370 -3.077 10.738 1.00 0.00 H new ATOM 221 N SER A 13 -3.860 2.196 11.452 1.00 0.00 N ATOM 222 CA SER A 13 -3.443 3.603 11.212 1.00 0.00 C ATOM 223 C SER A 13 -4.028 4.550 12.299 1.00 0.00 C ATOM 224 O SER A 13 -3.281 5.227 12.999 1.00 0.00 O ATOM 225 CB SER A 13 -3.878 4.071 9.804 1.00 0.00 C ATOM 226 OG SER A 13 -3.319 3.247 8.794 1.00 0.00 O ATOM 0 H SER A 13 -4.254 1.728 10.635 1.00 0.00 H new ATOM 0 HA SER A 13 -2.355 3.643 11.271 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.965 4.052 9.732 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.566 5.104 9.649 1.00 0.00 H new ATOM 0 HG SER A 13 -3.848 2.426 8.712 1.00 0.00 H new ATOM 232 N ASP A 14 -5.372 4.546 12.427 1.00 0.00 N ATOM 233 CA ASP A 14 -6.121 5.325 13.456 1.00 0.00 C ATOM 234 C ASP A 14 -5.638 5.040 14.905 1.00 0.00 C ATOM 235 O ASP A 14 -5.698 5.920 15.760 1.00 0.00 O ATOM 236 CB ASP A 14 -7.638 4.988 13.318 1.00 0.00 C ATOM 237 CG ASP A 14 -8.556 5.835 14.216 1.00 0.00 C ATOM 238 OD1 ASP A 14 -8.871 6.988 13.844 1.00 0.00 O ATOM 239 OD2 ASP A 14 -8.966 5.361 15.296 1.00 0.00 O ATOM 0 H ASP A 14 -5.980 3.999 11.817 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.938 6.385 13.278 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.936 5.127 12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.788 3.935 13.555 1.00 0.00 H new ATOM 244 N ARG A 15 -5.154 3.800 15.124 1.00 0.00 N ATOM 245 CA ARG A 15 -4.602 3.371 16.435 1.00 0.00 C ATOM 246 C ARG A 15 -3.308 4.166 16.769 1.00 0.00 C ATOM 247 O ARG A 15 -3.236 4.879 17.785 1.00 0.00 O ATOM 248 CB ARG A 15 -4.322 1.838 16.432 1.00 0.00 C ATOM 249 CG ARG A 15 -3.749 1.259 17.749 1.00 0.00 C ATOM 250 CD ARG A 15 -4.696 1.376 18.950 1.00 0.00 C ATOM 251 NE ARG A 15 -4.042 0.901 20.194 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.673 0.431 21.283 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.989 0.259 21.294 1.00 0.00 N ATOM 254 NH2 ARG A 15 -3.976 0.127 22.369 1.00 0.00 N ATOM 0 H ARG A 15 -5.132 3.072 14.409 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.341 3.583 17.208 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.252 1.318 16.202 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.624 1.616 15.625 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.504 0.208 17.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.817 1.773 17.984 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.007 2.414 19.072 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.598 0.793 18.764 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.023 0.934 20.225 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.540 0.485 20.466 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.450 -0.099 22.131 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.963 0.250 22.376 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.452 -0.230 23.197 1.00 0.00 H new ATOM 268 N LEU A 16 -2.313 4.049 15.872 1.00 0.00 N ATOM 269 CA LEU A 16 -0.986 4.670 16.087 1.00 0.00 C ATOM 270 C LEU A 16 -1.097 6.213 16.005 1.00 0.00 C ATOM 271 O LEU A 16 -0.430 6.920 16.770 1.00 0.00 O ATOM 272 CB LEU A 16 0.053 4.090 15.070 1.00 0.00 C ATOM 273 CG LEU A 16 1.585 4.159 15.463 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.175 5.581 15.411 1.00 0.00 C ATOM 275 CD2 LEU A 16 1.854 3.512 16.840 1.00 0.00 C ATOM 0 H LEU A 16 -2.398 3.534 14.995 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.627 4.427 17.087 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.200 3.045 14.891 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.074 4.616 14.124 1.00 0.00 H new ATOM 0 HG LEU A 16 2.101 3.580 14.697 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.227 5.549 15.693 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.082 5.977 14.400 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.634 6.225 16.104 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.917 3.580 17.073 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.281 4.035 17.606 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.555 2.464 16.814 1.00 0.00 H new ATOM 287 N ASP A 17 -1.917 6.724 15.064 1.00 0.00 N ATOM 288 CA ASP A 17 -2.205 8.169 14.950 1.00 0.00 C ATOM 289 C ASP A 17 -2.796 8.730 16.260 1.00 0.00 C ATOM 290 O ASP A 17 -2.301 9.735 16.776 1.00 0.00 O ATOM 291 CB ASP A 17 -3.162 8.437 13.761 1.00 0.00 C ATOM 292 CG ASP A 17 -3.542 9.921 13.598 1.00 0.00 C ATOM 293 OD1 ASP A 17 -2.783 10.674 12.950 1.00 0.00 O ATOM 294 OD2 ASP A 17 -4.591 10.339 14.137 1.00 0.00 O ATOM 0 H ASP A 17 -2.395 6.153 14.367 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.263 8.685 14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.692 8.088 12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.071 7.851 13.897 1.00 0.00 H new ATOM 299 N ALA A 18 -3.892 8.119 16.767 1.00 0.00 N ATOM 300 CA ALA A 18 -4.401 8.350 18.138 1.00 0.00 C ATOM 301 C ALA A 18 -3.295 8.380 19.207 1.00 0.00 C ATOM 302 O ALA A 18 -3.370 9.195 20.129 1.00 0.00 O ATOM 303 CB ALA A 18 -5.467 7.309 18.511 1.00 0.00 C ATOM 0 H ALA A 18 -4.449 7.450 16.235 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.851 9.343 18.124 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.825 7.501 19.523 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.301 7.376 17.812 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.033 6.310 18.463 1.00 0.00 H new ATOM 309 N ILE A 19 -2.269 7.508 19.070 1.00 0.00 N ATOM 310 CA ILE A 19 -1.148 7.479 20.033 1.00 0.00 C ATOM 311 C ILE A 19 -0.248 8.719 19.874 1.00 0.00 C ATOM 312 O ILE A 19 0.143 9.308 20.890 1.00 0.00 O ATOM 313 CB ILE A 19 -0.295 6.148 19.979 1.00 0.00 C ATOM 314 CG1 ILE A 19 -1.174 4.944 20.448 1.00 0.00 C ATOM 315 CG2 ILE A 19 1.015 6.249 20.828 1.00 0.00 C ATOM 316 CD1 ILE A 19 -0.435 3.628 20.598 1.00 0.00 C ATOM 0 H ILE A 19 -2.196 6.827 18.315 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.606 7.500 21.022 1.00 0.00 H new ATOM 0 HB ILE A 19 0.016 5.988 18.947 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.630 5.198 21.405 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.986 4.807 19.734 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.566 5.311 20.759 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.633 7.062 20.448 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.759 6.444 21.869 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.130 2.856 20.927 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.002 3.342 19.639 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.360 3.739 21.336 1.00 0.00 H new ATOM 328 N ARG A 20 0.083 9.141 18.620 1.00 0.00 N ATOM 329 CA ARG A 20 0.940 10.321 18.395 1.00 0.00 C ATOM 330 C ARG A 20 0.246 11.610 18.863 1.00 0.00 C ATOM 331 O ARG A 20 0.903 12.455 19.463 1.00 0.00 O ATOM 332 CB ARG A 20 1.423 10.465 16.915 1.00 0.00 C ATOM 333 CG ARG A 20 0.370 10.960 15.904 1.00 0.00 C ATOM 334 CD ARG A 20 0.961 11.327 14.534 1.00 0.00 C ATOM 335 NE ARG A 20 -0.081 11.837 13.620 1.00 0.00 N ATOM 336 CZ ARG A 20 -0.217 13.112 13.214 1.00 0.00 C ATOM 337 NH1 ARG A 20 0.647 14.053 13.586 1.00 0.00 N ATOM 338 NH2 ARG A 20 -1.229 13.434 12.424 1.00 0.00 N ATOM 0 H ARG A 20 -0.231 8.682 17.765 1.00 0.00 H new ATOM 0 HA ARG A 20 1.833 10.159 18.999 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.268 11.153 16.895 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.793 9.496 16.579 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.385 10.186 15.769 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.137 11.832 16.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.738 12.081 14.661 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.437 10.450 14.094 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.758 11.162 13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.432 13.814 14.191 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.524 15.014 13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.894 12.719 12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.344 14.397 12.109 1.00 0.00 H new ATOM 352 N HIS A 21 -1.084 11.758 18.627 1.00 0.00 N ATOM 353 CA HIS A 21 -1.864 12.918 19.087 1.00 0.00 C ATOM 354 C HIS A 21 -1.954 12.943 20.612 1.00 0.00 C ATOM 355 O HIS A 21 -1.821 13.995 21.227 1.00 0.00 O ATOM 356 CB HIS A 21 -3.292 12.852 18.471 1.00 0.00 C ATOM 357 CG HIS A 21 -4.034 14.175 18.484 1.00 0.00 C ATOM 358 ND1 HIS A 21 -4.517 14.765 19.633 1.00 0.00 N ATOM 359 CD2 HIS A 21 -4.344 15.033 17.478 1.00 0.00 C ATOM 360 CE1 HIS A 21 -5.088 15.915 19.334 1.00 0.00 C ATOM 361 NE2 HIS A 21 -4.997 16.100 18.034 1.00 0.00 N ATOM 0 H HIS A 21 -1.637 11.073 18.112 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.364 13.830 18.762 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.216 12.500 17.442 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.878 12.114 19.018 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -4.444 14.372 20.571 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.117 14.898 16.431 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.552 16.591 20.037 1.00 0.00 H new ATOM 370 N GLN A 22 -2.189 11.752 21.182 1.00 0.00 N ATOM 371 CA GLN A 22 -2.204 11.518 22.639 1.00 0.00 C ATOM 372 C GLN A 22 -0.890 11.978 23.277 1.00 0.00 C ATOM 373 O GLN A 22 -0.898 12.626 24.315 1.00 0.00 O ATOM 374 CB GLN A 22 -2.433 10.013 22.908 1.00 0.00 C ATOM 375 CG GLN A 22 -2.208 9.547 24.352 1.00 0.00 C ATOM 376 CD GLN A 22 -2.326 8.031 24.529 1.00 0.00 C ATOM 377 OE1 GLN A 22 -2.771 7.555 25.570 1.00 0.00 O ATOM 378 NE2 GLN A 22 -1.850 7.260 23.551 1.00 0.00 N ATOM 0 H GLN A 22 -2.377 10.910 20.638 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.013 12.096 23.085 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.455 9.764 22.622 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.772 9.443 22.256 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.219 9.867 24.679 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.933 10.038 25.001 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.487 7.685 22.698 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.849 6.245 23.656 1.00 0.00 H new ATOM 387 N GLN A 23 0.223 11.656 22.614 1.00 0.00 N ATOM 388 CA GLN A 23 1.555 12.049 23.074 1.00 0.00 C ATOM 389 C GLN A 23 1.877 13.499 22.710 1.00 0.00 C ATOM 390 O GLN A 23 2.862 14.031 23.198 1.00 0.00 O ATOM 391 CB GLN A 23 2.629 11.089 22.510 1.00 0.00 C ATOM 392 CG GLN A 23 2.664 9.709 23.188 1.00 0.00 C ATOM 393 CD GLN A 23 3.740 8.801 22.608 1.00 0.00 C ATOM 394 OE1 GLN A 23 4.036 8.877 21.422 1.00 0.00 O ATOM 395 NE2 GLN A 23 4.365 7.987 23.443 1.00 0.00 N ATOM 0 H GLN A 23 0.226 11.118 21.747 1.00 0.00 H new ATOM 0 HA GLN A 23 1.562 11.979 24.162 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.453 10.952 21.443 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.608 11.557 22.614 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.838 9.837 24.256 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.691 9.230 23.079 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.089 7.953 24.424 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.123 7.394 23.105 1.00 0.00 H new ATOM 404 N ALA A 24 1.136 14.097 21.763 1.00 0.00 N ATOM 405 CA ALA A 24 1.171 15.562 21.558 1.00 0.00 C ATOM 406 C ALA A 24 0.281 16.303 22.588 1.00 0.00 C ATOM 407 O ALA A 24 0.456 17.507 22.804 1.00 0.00 O ATOM 408 CB ALA A 24 0.742 15.895 20.123 1.00 0.00 C ATOM 0 H ALA A 24 0.510 13.598 21.131 1.00 0.00 H new ATOM 0 HA ALA A 24 2.194 15.906 21.712 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.769 16.975 19.976 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.423 15.416 19.419 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.271 15.531 19.952 1.00 0.00 H new ATOM 414 N ASP A 25 -0.671 15.570 23.211 1.00 0.00 N ATOM 415 CA ASP A 25 -1.492 16.119 24.321 1.00 0.00 C ATOM 416 C ASP A 25 -0.731 15.886 25.642 1.00 0.00 C ATOM 417 O ASP A 25 -0.940 16.580 26.639 1.00 0.00 O ATOM 418 CB ASP A 25 -2.884 15.437 24.393 1.00 0.00 C ATOM 419 CG ASP A 25 -3.784 15.684 23.166 1.00 0.00 C ATOM 420 OD1 ASP A 25 -3.965 16.860 22.773 1.00 0.00 O ATOM 421 OD2 ASP A 25 -4.334 14.714 22.601 1.00 0.00 O ATOM 0 H ASP A 25 -0.890 14.604 22.968 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.657 17.183 24.148 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.742 14.363 24.513 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.402 15.791 25.284 1.00 0.00 H new ATOM 426 N LEU A 26 0.146 14.870 25.598 1.00 0.00 N ATOM 427 CA LEU A 26 1.060 14.564 26.711 1.00 0.00 C ATOM 428 C LEU A 26 2.463 15.092 26.408 1.00 0.00 C ATOM 429 O LEU A 26 2.759 15.508 25.290 1.00 0.00 O ATOM 430 CB LEU A 26 1.095 13.045 27.019 1.00 0.00 C ATOM 431 CG LEU A 26 -0.265 12.389 27.452 1.00 0.00 C ATOM 432 CD1 LEU A 26 -0.036 10.993 28.065 1.00 0.00 C ATOM 433 CD2 LEU A 26 -1.075 13.295 28.408 1.00 0.00 C ATOM 0 H LEU A 26 0.242 14.243 24.799 1.00 0.00 H new ATOM 0 HA LEU A 26 0.684 15.067 27.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.458 12.525 26.133 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.824 12.874 27.811 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.863 12.269 26.549 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.994 10.562 28.356 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.444 10.347 27.330 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.604 11.082 28.943 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.006 12.798 28.679 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.492 13.488 29.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.299 14.239 27.912 1.00 0.00 H new ATOM 445 N SER A 27 3.285 15.174 27.448 1.00 0.00 N ATOM 446 CA SER A 27 4.688 15.575 27.298 1.00 0.00 C ATOM 447 C SER A 27 5.614 14.619 28.050 1.00 0.00 C ATOM 448 O SER A 27 5.199 13.915 28.979 1.00 0.00 O ATOM 449 CB SER A 27 4.890 17.011 27.816 1.00 0.00 C ATOM 450 OG SER A 27 6.203 17.490 27.575 1.00 0.00 O ATOM 0 H SER A 27 3.008 14.969 28.408 1.00 0.00 H new ATOM 0 HA SER A 27 4.938 15.536 26.238 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.170 17.673 27.335 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.685 17.041 28.886 1.00 0.00 H new ATOM 0 HG SER A 27 6.286 18.404 27.918 1.00 0.00 H new ATOM 456 N LEU A 28 6.878 14.628 27.625 1.00 0.00 N ATOM 457 CA LEU A 28 8.004 14.016 28.336 1.00 0.00 C ATOM 458 C LEU A 28 8.350 14.835 29.614 1.00 0.00 C ATOM 459 O LEU A 28 9.107 14.376 30.466 1.00 0.00 O ATOM 460 CB LEU A 28 9.206 13.906 27.329 1.00 0.00 C ATOM 461 CG LEU A 28 10.468 13.043 27.728 1.00 0.00 C ATOM 462 CD1 LEU A 28 11.520 13.836 28.548 1.00 0.00 C ATOM 463 CD2 LEU A 28 10.046 11.750 28.461 1.00 0.00 C ATOM 0 H LEU A 28 7.156 15.074 26.751 1.00 0.00 H new ATOM 0 HA LEU A 28 7.753 13.014 28.685 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.815 13.504 26.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.553 14.918 27.120 1.00 0.00 H new ATOM 0 HG LEU A 28 10.958 12.769 26.794 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.360 13.185 28.789 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.875 14.684 27.962 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.065 14.198 29.470 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.934 11.175 28.724 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.499 12.008 29.368 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.408 11.154 27.809 1.00 0.00 H new ATOM 475 N VAL A 29 7.761 16.032 29.764 1.00 0.00 N ATOM 476 CA VAL A 29 8.044 16.929 30.906 1.00 0.00 C ATOM 477 C VAL A 29 6.913 16.893 31.971 1.00 0.00 C ATOM 478 O VAL A 29 7.183 17.078 33.160 1.00 0.00 O ATOM 479 CB VAL A 29 8.279 18.399 30.396 1.00 0.00 C ATOM 480 CG1 VAL A 29 8.679 19.369 31.542 1.00 0.00 C ATOM 481 CG2 VAL A 29 9.332 18.422 29.257 1.00 0.00 C ATOM 0 H VAL A 29 7.079 16.407 29.105 1.00 0.00 H new ATOM 0 HA VAL A 29 8.952 16.570 31.390 1.00 0.00 H new ATOM 0 HB VAL A 29 7.328 18.756 30.000 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.829 20.369 31.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.886 19.396 32.289 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.603 19.023 32.006 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.480 19.448 28.919 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.276 18.022 29.626 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.981 17.812 28.424 1.00 0.00 H new ATOM 491 N GLU A 30 5.653 16.625 31.550 1.00 0.00 N ATOM 492 CA GLU A 30 4.486 16.717 32.485 1.00 0.00 C ATOM 493 C GLU A 30 3.561 15.490 32.458 1.00 0.00 C ATOM 494 O GLU A 30 2.552 15.467 33.180 1.00 0.00 O ATOM 495 CB GLU A 30 3.697 18.044 32.239 1.00 0.00 C ATOM 496 CG GLU A 30 3.211 18.294 30.794 1.00 0.00 C ATOM 497 CD GLU A 30 1.897 17.583 30.409 1.00 0.00 C ATOM 498 OE1 GLU A 30 0.812 18.045 30.826 1.00 0.00 O ATOM 499 OE2 GLU A 30 1.940 16.573 29.671 1.00 0.00 O ATOM 0 H GLU A 30 5.414 16.350 30.597 1.00 0.00 H new ATOM 0 HA GLU A 30 4.900 16.731 33.493 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.829 18.053 32.898 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.331 18.879 32.536 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.079 19.367 30.653 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.993 17.975 30.105 1.00 0.00 H new ATOM 506 N ALA A 31 3.881 14.478 31.639 1.00 0.00 N ATOM 507 CA ALA A 31 3.078 13.238 31.581 1.00 0.00 C ATOM 508 C ALA A 31 3.960 12.015 31.321 1.00 0.00 C ATOM 509 O ALA A 31 3.496 11.025 30.756 1.00 0.00 O ATOM 510 CB ALA A 31 2.009 13.360 30.495 1.00 0.00 C ATOM 0 H ALA A 31 4.684 14.488 31.010 1.00 0.00 H new ATOM 0 HA ALA A 31 2.595 13.101 32.548 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.421 12.443 30.458 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.354 14.201 30.722 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.488 13.523 29.530 1.00 0.00 H new ATOM 516 N ALA A 32 5.190 12.036 31.843 1.00 0.00 N ATOM 517 CA ALA A 32 6.262 11.130 31.407 1.00 0.00 C ATOM 518 C ALA A 32 6.339 9.946 32.342 1.00 0.00 C ATOM 519 O ALA A 32 7.122 9.964 33.303 1.00 0.00 O ATOM 520 CB ALA A 32 7.596 11.868 31.377 1.00 0.00 C ATOM 0 H ALA A 32 5.473 12.681 32.580 1.00 0.00 H new ATOM 0 HA ALA A 32 6.041 10.774 30.401 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.382 11.186 31.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.533 12.706 30.682 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.828 12.241 32.375 1.00 0.00 H new ATOM 526 N ASP A 33 5.536 8.920 32.097 1.00 0.00 N ATOM 527 CA ASP A 33 5.285 7.819 33.014 1.00 0.00 C ATOM 528 C ASP A 33 4.244 7.033 32.207 1.00 0.00 C ATOM 529 O ASP A 33 4.541 5.975 31.669 1.00 0.00 O ATOM 530 CB ASP A 33 4.736 8.240 34.394 1.00 0.00 C ATOM 531 CG ASP A 33 4.547 7.043 35.339 1.00 0.00 C ATOM 532 OD1 ASP A 33 5.513 6.677 36.047 1.00 0.00 O ATOM 533 OD2 ASP A 33 3.450 6.443 35.356 1.00 0.00 O ATOM 0 H ASP A 33 5.022 8.829 31.220 1.00 0.00 H new ATOM 0 HA ASP A 33 6.189 7.276 33.290 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.419 8.956 34.851 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.782 8.750 34.262 1.00 0.00 H new ATOM 538 N LYS A 34 3.041 7.655 32.080 1.00 0.00 N ATOM 539 CA LYS A 34 2.139 7.456 30.910 1.00 0.00 C ATOM 540 C LYS A 34 2.916 7.516 29.575 1.00 0.00 C ATOM 541 O LYS A 34 2.919 6.556 28.837 1.00 0.00 O ATOM 542 CB LYS A 34 1.006 8.529 30.886 1.00 0.00 C ATOM 543 CG LYS A 34 -0.084 8.368 31.968 1.00 0.00 C ATOM 544 CD LYS A 34 -0.897 7.060 31.815 1.00 0.00 C ATOM 545 CE LYS A 34 -1.730 7.013 30.522 1.00 0.00 C ATOM 546 NZ LYS A 34 -2.452 5.722 30.376 1.00 0.00 N ATOM 0 H LYS A 34 2.671 8.302 32.777 1.00 0.00 H new ATOM 0 HA LYS A 34 1.699 6.465 31.019 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.460 9.514 30.996 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.528 8.506 29.907 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.383 8.386 32.953 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.763 9.219 31.922 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.214 6.211 31.831 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.561 6.950 32.672 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.448 7.833 30.523 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.076 7.163 29.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.002 5.729 29.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.765 4.941 30.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.095 5.591 31.183 1.00 0.00 H new ATOM 560 N TYR A 35 3.641 8.628 29.355 1.00 0.00 N ATOM 561 CA TYR A 35 4.339 8.918 28.067 1.00 0.00 C ATOM 562 C TYR A 35 5.389 7.819 27.785 1.00 0.00 C ATOM 563 O TYR A 35 5.581 7.414 26.638 1.00 0.00 O ATOM 564 CB TYR A 35 5.015 10.316 28.113 1.00 0.00 C ATOM 565 CG TYR A 35 5.556 10.873 26.787 1.00 0.00 C ATOM 566 CD1 TYR A 35 4.739 11.628 25.941 1.00 0.00 C ATOM 567 CD2 TYR A 35 6.886 10.679 26.402 1.00 0.00 C ATOM 568 CE1 TYR A 35 5.230 12.161 24.769 1.00 0.00 C ATOM 569 CE2 TYR A 35 7.375 11.207 25.227 1.00 0.00 C ATOM 570 CZ TYR A 35 6.546 11.948 24.417 1.00 0.00 C ATOM 571 OH TYR A 35 7.031 12.484 23.247 1.00 0.00 O ATOM 0 H TYR A 35 3.766 9.357 30.058 1.00 0.00 H new ATOM 0 HA TYR A 35 3.605 8.924 27.262 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.292 11.029 28.510 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.841 10.270 28.823 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.707 11.796 26.210 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.543 10.104 27.038 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.586 12.744 24.128 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.404 11.040 24.943 1.00 0.00 H new ATOM 0 HH TYR A 35 7.976 12.244 23.144 1.00 0.00 H new ATOM 581 N ALA A 36 6.027 7.335 28.879 1.00 0.00 N ATOM 582 CA ALA A 36 7.031 6.261 28.844 1.00 0.00 C ATOM 583 C ALA A 36 6.406 4.921 28.400 1.00 0.00 C ATOM 584 O ALA A 36 6.937 4.252 27.487 1.00 0.00 O ATOM 585 CB ALA A 36 7.706 6.141 30.221 1.00 0.00 C ATOM 0 H ALA A 36 5.851 7.689 29.819 1.00 0.00 H new ATOM 0 HA ALA A 36 7.791 6.514 28.104 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.450 5.345 30.193 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.193 7.084 30.471 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.954 5.909 30.976 1.00 0.00 H new ATOM 591 N GLU A 37 5.269 4.529 29.027 1.00 0.00 N ATOM 592 CA GLU A 37 4.473 3.367 28.616 1.00 0.00 C ATOM 593 C GLU A 37 4.079 3.486 27.142 1.00 0.00 C ATOM 594 O GLU A 37 4.385 2.624 26.373 1.00 0.00 O ATOM 595 CB GLU A 37 3.196 3.227 29.495 1.00 0.00 C ATOM 596 CG GLU A 37 3.429 3.143 31.016 1.00 0.00 C ATOM 597 CD GLU A 37 4.296 1.948 31.448 1.00 0.00 C ATOM 598 OE1 GLU A 37 3.882 0.789 31.228 1.00 0.00 O ATOM 599 OE2 GLU A 37 5.391 2.159 32.018 1.00 0.00 O ATOM 0 H GLU A 37 4.885 5.019 29.835 1.00 0.00 H new ATOM 0 HA GLU A 37 5.085 2.475 28.751 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.545 4.078 29.294 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.658 2.333 29.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.904 4.065 31.352 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.464 3.080 31.519 1.00 0.00 H new ATOM 606 N LEU A 38 3.406 4.592 26.819 1.00 0.00 N ATOM 607 CA LEU A 38 2.946 4.918 25.447 1.00 0.00 C ATOM 608 C LEU A 38 4.066 4.784 24.383 1.00 0.00 C ATOM 609 O LEU A 38 3.781 4.454 23.237 1.00 0.00 O ATOM 610 CB LEU A 38 2.343 6.334 25.391 1.00 0.00 C ATOM 611 CG LEU A 38 1.137 6.599 26.331 1.00 0.00 C ATOM 612 CD1 LEU A 38 0.700 8.069 26.256 1.00 0.00 C ATOM 613 CD2 LEU A 38 -0.038 5.644 26.053 1.00 0.00 C ATOM 0 H LEU A 38 3.156 5.304 27.506 1.00 0.00 H new ATOM 0 HA LEU A 38 2.178 4.183 25.204 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.128 7.051 25.630 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.030 6.533 24.366 1.00 0.00 H new ATOM 0 HG LEU A 38 1.467 6.396 27.350 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.147 8.231 26.923 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.528 8.711 26.558 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.408 8.310 25.234 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.858 5.868 26.735 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.376 5.773 25.025 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.287 4.614 26.202 1.00 0.00 H new ATOM 625 N GLU A 39 5.320 5.100 24.770 1.00 0.00 N ATOM 626 CA GLU A 39 6.522 4.836 23.942 1.00 0.00 C ATOM 627 C GLU A 39 6.766 3.323 23.721 1.00 0.00 C ATOM 628 O GLU A 39 7.125 2.914 22.613 1.00 0.00 O ATOM 629 CB GLU A 39 7.773 5.511 24.576 1.00 0.00 C ATOM 630 CG GLU A 39 7.857 7.037 24.371 1.00 0.00 C ATOM 631 CD GLU A 39 8.010 7.425 22.885 1.00 0.00 C ATOM 632 OE1 GLU A 39 9.156 7.530 22.402 1.00 0.00 O ATOM 633 OE2 GLU A 39 6.989 7.602 22.189 1.00 0.00 O ATOM 0 H GLU A 39 5.530 5.545 25.663 1.00 0.00 H new ATOM 0 HA GLU A 39 6.342 5.272 22.960 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.779 5.301 25.646 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.668 5.052 24.156 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.959 7.505 24.775 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.703 7.430 24.935 1.00 0.00 H new ATOM 640 N LYS A 40 6.590 2.520 24.785 1.00 0.00 N ATOM 641 CA LYS A 40 6.712 1.031 24.699 1.00 0.00 C ATOM 642 C LYS A 40 5.538 0.419 23.891 1.00 0.00 C ATOM 643 O LYS A 40 5.743 -0.449 23.055 1.00 0.00 O ATOM 644 CB LYS A 40 6.765 0.390 26.110 1.00 0.00 C ATOM 645 CG LYS A 40 7.894 0.908 27.028 1.00 0.00 C ATOM 646 CD LYS A 40 7.982 0.158 28.388 1.00 0.00 C ATOM 647 CE LYS A 40 6.771 0.382 29.322 1.00 0.00 C ATOM 648 NZ LYS A 40 5.506 -0.277 28.878 1.00 0.00 N ATOM 0 H LYS A 40 6.363 2.864 25.718 1.00 0.00 H new ATOM 0 HA LYS A 40 7.646 0.814 24.181 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.809 0.561 26.605 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.877 -0.688 25.997 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.847 0.813 26.507 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.739 1.970 27.217 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.083 -0.910 28.194 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.888 0.475 28.905 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.025 0.016 30.317 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.593 1.454 29.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.013 -0.674 29.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.894 0.424 28.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.729 -1.040 28.208 1.00 0.00 H new ATOM 662 N GLU A 41 4.308 0.838 24.237 1.00 0.00 N ATOM 663 CA GLU A 41 3.064 0.469 23.510 1.00 0.00 C ATOM 664 C GLU A 41 3.171 0.780 22.006 1.00 0.00 C ATOM 665 O GLU A 41 2.734 -0.005 21.158 1.00 0.00 O ATOM 666 CB GLU A 41 1.837 1.215 24.107 1.00 0.00 C ATOM 667 CG GLU A 41 1.677 1.147 25.651 1.00 0.00 C ATOM 668 CD GLU A 41 2.046 -0.212 26.277 1.00 0.00 C ATOM 669 OE1 GLU A 41 1.249 -1.167 26.160 1.00 0.00 O ATOM 670 OE2 GLU A 41 3.137 -0.321 26.909 1.00 0.00 O ATOM 0 H GLU A 41 4.140 1.449 25.036 1.00 0.00 H new ATOM 0 HA GLU A 41 2.929 -0.606 23.631 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.898 2.263 23.815 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.934 0.809 23.651 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.299 1.920 26.102 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.643 1.381 25.906 1.00 0.00 H new ATOM 677 N LYS A 42 3.748 1.957 21.729 1.00 0.00 N ATOM 678 CA LYS A 42 4.093 2.377 20.365 1.00 0.00 C ATOM 679 C LYS A 42 5.094 1.373 19.773 1.00 0.00 C ATOM 680 O LYS A 42 4.864 0.855 18.704 1.00 0.00 O ATOM 681 CB LYS A 42 4.698 3.804 20.329 1.00 0.00 C ATOM 682 CG LYS A 42 5.110 4.279 18.911 1.00 0.00 C ATOM 683 CD LYS A 42 5.894 5.608 18.922 1.00 0.00 C ATOM 684 CE LYS A 42 5.068 6.788 19.437 1.00 0.00 C ATOM 685 NZ LYS A 42 5.871 8.040 19.513 1.00 0.00 N ATOM 0 H LYS A 42 3.988 2.644 22.444 1.00 0.00 H new ATOM 0 HA LYS A 42 3.177 2.399 19.774 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.972 4.506 20.739 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.572 3.833 20.979 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.719 3.508 18.439 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.215 4.397 18.300 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.781 5.494 19.545 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.239 5.827 17.912 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.212 6.945 18.781 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.673 6.550 20.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.437 8.690 20.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.840 7.813 19.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.898 8.492 18.577 1.00 0.00 H new ATOM 699 N ALA A 43 6.184 1.105 20.523 1.00 0.00 N ATOM 700 CA ALA A 43 7.300 0.219 20.095 1.00 0.00 C ATOM 701 C ALA A 43 6.836 -1.203 19.705 1.00 0.00 C ATOM 702 O ALA A 43 7.303 -1.762 18.700 1.00 0.00 O ATOM 703 CB ALA A 43 8.380 0.144 21.180 1.00 0.00 C ATOM 0 H ALA A 43 6.320 1.500 21.454 1.00 0.00 H new ATOM 0 HA ALA A 43 7.718 0.671 19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.186 -0.509 20.846 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.776 1.142 21.369 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.947 -0.254 22.098 1.00 0.00 H new ATOM 709 N THR A 44 5.923 -1.800 20.483 1.00 0.00 N ATOM 710 CA THR A 44 5.330 -3.115 20.253 1.00 0.00 C ATOM 711 C THR A 44 4.344 -3.072 19.081 1.00 0.00 C ATOM 712 O THR A 44 4.250 -4.030 18.313 1.00 0.00 O ATOM 713 CB THR A 44 4.641 -3.590 21.574 1.00 0.00 C ATOM 714 OG1 THR A 44 5.582 -3.506 22.657 1.00 0.00 O ATOM 715 CG2 THR A 44 4.109 -5.025 21.501 1.00 0.00 C ATOM 0 H THR A 44 5.564 -1.355 21.328 1.00 0.00 H new ATOM 0 HA THR A 44 6.106 -3.830 19.981 1.00 0.00 H new ATOM 0 HB THR A 44 3.786 -2.933 21.733 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.706 -2.568 22.911 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.644 -5.289 22.451 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.371 -5.099 20.702 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.933 -5.709 21.298 1.00 0.00 H new ATOM 723 N LEU A 45 3.583 -1.960 19.001 1.00 0.00 N ATOM 724 CA LEU A 45 2.822 -1.674 17.765 1.00 0.00 C ATOM 725 C LEU A 45 3.764 -1.683 16.536 1.00 0.00 C ATOM 726 O LEU A 45 3.457 -2.340 15.563 1.00 0.00 O ATOM 727 CB LEU A 45 1.992 -0.357 17.819 1.00 0.00 C ATOM 728 CG LEU A 45 0.542 -0.466 18.408 1.00 0.00 C ATOM 729 CD1 LEU A 45 -0.180 0.892 18.364 1.00 0.00 C ATOM 730 CD2 LEU A 45 -0.290 -1.542 17.672 1.00 0.00 C ATOM 0 H LEU A 45 3.480 -1.270 19.745 1.00 0.00 H new ATOM 0 HA LEU A 45 2.090 -2.476 17.670 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.546 0.371 18.411 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.920 0.042 16.807 1.00 0.00 H new ATOM 0 HG LEU A 45 0.640 -0.770 19.450 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.182 0.785 18.779 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.379 1.621 18.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.249 1.234 17.331 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.289 -1.590 18.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.366 -1.284 16.616 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.197 -2.512 17.774 1.00 0.00 H new ATOM 742 N GLU A 46 4.935 -1.007 16.603 1.00 0.00 N ATOM 743 CA GLU A 46 5.960 -0.960 15.534 1.00 0.00 C ATOM 744 C GLU A 46 6.532 -2.348 15.228 1.00 0.00 C ATOM 745 O GLU A 46 6.773 -2.681 14.060 1.00 0.00 O ATOM 746 CB GLU A 46 7.131 -0.034 15.947 1.00 0.00 C ATOM 747 CG GLU A 46 6.725 1.410 16.259 1.00 0.00 C ATOM 748 CD GLU A 46 7.912 2.292 16.663 1.00 0.00 C ATOM 749 OE1 GLU A 46 8.798 2.527 15.812 1.00 0.00 O ATOM 750 OE2 GLU A 46 7.974 2.754 17.824 1.00 0.00 O ATOM 0 H GLU A 46 5.200 -0.464 17.425 1.00 0.00 H new ATOM 0 HA GLU A 46 5.465 -0.576 14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.619 -0.458 16.825 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.869 -0.024 15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.240 1.842 15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.990 1.409 17.064 1.00 0.00 H new ATOM 757 N ALA A 47 6.637 -3.182 16.275 1.00 0.00 N ATOM 758 CA ALA A 47 7.294 -4.491 16.235 1.00 0.00 C ATOM 759 C ALA A 47 6.384 -5.443 15.469 1.00 0.00 C ATOM 760 O ALA A 47 6.810 -6.075 14.516 1.00 0.00 O ATOM 761 CB ALA A 47 7.584 -4.994 17.661 1.00 0.00 C ATOM 0 H ALA A 47 6.257 -2.956 17.194 1.00 0.00 H new ATOM 0 HA ALA A 47 8.257 -4.426 15.729 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.072 -5.967 17.611 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.238 -4.286 18.171 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.648 -5.085 18.212 1.00 0.00 H new ATOM 767 N GLU A 48 5.105 -5.446 15.877 1.00 0.00 N ATOM 768 CA GLU A 48 3.974 -6.136 15.250 1.00 0.00 C ATOM 769 C GLU A 48 3.795 -5.710 13.784 1.00 0.00 C ATOM 770 O GLU A 48 4.047 -6.486 12.885 1.00 0.00 O ATOM 771 CB GLU A 48 2.693 -5.771 16.067 1.00 0.00 C ATOM 772 CG GLU A 48 1.364 -6.393 15.582 1.00 0.00 C ATOM 773 CD GLU A 48 1.166 -7.875 15.960 1.00 0.00 C ATOM 774 OE1 GLU A 48 1.714 -8.326 16.994 1.00 0.00 O ATOM 775 OE2 GLU A 48 0.412 -8.583 15.254 1.00 0.00 O ATOM 0 H GLU A 48 4.818 -4.931 16.709 1.00 0.00 H new ATOM 0 HA GLU A 48 4.154 -7.211 15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.852 -6.071 17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.583 -4.687 16.063 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.537 -5.814 15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.310 -6.299 14.497 1.00 0.00 H new ATOM 782 N ILE A 49 3.406 -4.434 13.615 1.00 0.00 N ATOM 783 CA ILE A 49 2.944 -3.934 12.300 1.00 0.00 C ATOM 784 C ILE A 49 4.022 -4.122 11.211 1.00 0.00 C ATOM 785 O ILE A 49 3.684 -4.539 10.103 1.00 0.00 O ATOM 786 CB ILE A 49 2.395 -2.447 12.312 1.00 0.00 C ATOM 787 CG1 ILE A 49 3.534 -1.404 12.570 1.00 0.00 C ATOM 788 CG2 ILE A 49 1.226 -2.303 13.330 1.00 0.00 C ATOM 789 CD1 ILE A 49 3.073 0.031 12.762 1.00 0.00 C ATOM 0 H ILE A 49 3.400 -3.736 14.359 1.00 0.00 H new ATOM 0 HA ILE A 49 2.083 -4.555 12.053 1.00 0.00 H new ATOM 0 HB ILE A 49 2.000 -2.228 11.320 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.090 -1.711 13.456 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.229 -1.435 11.731 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.863 -1.275 13.324 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.415 -2.976 13.051 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.580 -2.556 14.329 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.938 0.671 12.934 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.545 0.366 11.869 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.404 0.087 13.621 1.00 0.00 H new ATOM 801 N ALA A 50 5.316 -3.833 11.505 1.00 0.00 N ATOM 802 CA ALA A 50 6.433 -4.079 10.581 1.00 0.00 C ATOM 803 C ALA A 50 6.836 -5.567 10.442 1.00 0.00 C ATOM 804 O ALA A 50 7.354 -5.947 9.396 1.00 0.00 O ATOM 805 CB ALA A 50 7.635 -3.244 11.015 1.00 0.00 C ATOM 0 H ALA A 50 5.605 -3.423 12.393 1.00 0.00 H new ATOM 0 HA ALA A 50 6.086 -3.782 9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.467 -3.422 10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.370 -2.187 10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.928 -3.526 12.026 1.00 0.00 H new ATOM 811 N ARG A 51 6.680 -6.393 11.502 1.00 0.00 N ATOM 812 CA ARG A 51 6.903 -7.869 11.425 1.00 0.00 C ATOM 813 C ARG A 51 5.910 -8.487 10.425 1.00 0.00 C ATOM 814 O ARG A 51 6.266 -9.306 9.580 1.00 0.00 O ATOM 815 CB ARG A 51 6.741 -8.529 12.823 1.00 0.00 C ATOM 816 CG ARG A 51 7.254 -9.980 12.935 1.00 0.00 C ATOM 817 CD ARG A 51 8.781 -10.073 12.781 1.00 0.00 C ATOM 818 NE ARG A 51 9.296 -11.424 13.064 1.00 0.00 N ATOM 819 CZ ARG A 51 10.563 -11.826 12.854 1.00 0.00 C ATOM 820 NH1 ARG A 51 11.438 -11.045 12.228 1.00 0.00 N ATOM 821 NH2 ARG A 51 10.937 -13.037 13.234 1.00 0.00 N ATOM 0 H ARG A 51 6.400 -6.068 12.427 1.00 0.00 H new ATOM 0 HA ARG A 51 7.922 -8.052 11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.267 -7.918 13.557 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.685 -8.513 13.093 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.963 -10.392 13.901 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.776 -10.592 12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.059 -9.787 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.255 -9.359 13.454 1.00 0.00 H new ATOM 0 HE ARG A 51 8.643 -12.106 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.153 -10.123 11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.394 -11.368 12.078 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.266 -13.660 13.683 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.896 -13.347 13.077 1.00 0.00 H new ATOM 835 N LEU A 52 4.660 -8.064 10.578 1.00 0.00 N ATOM 836 CA LEU A 52 3.576 -8.328 9.632 1.00 0.00 C ATOM 837 C LEU A 52 3.986 -7.840 8.231 1.00 0.00 C ATOM 838 O LEU A 52 3.900 -8.594 7.259 1.00 0.00 O ATOM 839 CB LEU A 52 2.238 -7.671 10.113 1.00 0.00 C ATOM 840 CG LEU A 52 1.350 -8.524 11.083 1.00 0.00 C ATOM 841 CD1 LEU A 52 0.786 -9.764 10.364 1.00 0.00 C ATOM 842 CD2 LEU A 52 2.110 -8.936 12.365 1.00 0.00 C ATOM 0 H LEU A 52 4.362 -7.514 11.383 1.00 0.00 H new ATOM 0 HA LEU A 52 3.397 -9.402 9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.478 -6.730 10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.643 -7.425 9.233 1.00 0.00 H new ATOM 0 HG LEU A 52 0.518 -7.890 11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.173 -10.340 11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.176 -9.448 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.609 -10.383 10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.452 -9.525 13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.982 -9.531 12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.432 -8.043 12.900 1.00 0.00 H new ATOM 854 N ARG A 53 4.493 -6.596 8.127 1.00 0.00 N ATOM 855 CA ARG A 53 4.937 -5.990 6.871 1.00 0.00 C ATOM 856 C ARG A 53 6.324 -6.476 6.385 1.00 0.00 C ATOM 857 O ARG A 53 6.766 -6.007 5.354 1.00 0.00 O ATOM 858 CB ARG A 53 4.932 -4.446 7.002 1.00 0.00 C ATOM 859 CG ARG A 53 3.541 -3.769 6.962 1.00 0.00 C ATOM 860 CD ARG A 53 3.665 -2.235 7.081 1.00 0.00 C ATOM 861 NE ARG A 53 4.627 -1.689 6.092 1.00 0.00 N ATOM 862 CZ ARG A 53 5.006 -0.408 5.981 1.00 0.00 C ATOM 863 NH1 ARG A 53 4.428 0.547 6.703 1.00 0.00 N ATOM 864 NH2 ARG A 53 5.964 -0.084 5.125 1.00 0.00 N ATOM 0 H ARG A 53 4.605 -5.979 8.932 1.00 0.00 H new ATOM 0 HA ARG A 53 4.225 -6.314 6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.418 -4.179 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.540 -4.031 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.035 -4.025 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.924 -4.151 7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.687 -1.777 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.988 -1.972 8.088 1.00 0.00 H new ATOM 0 HE ARG A 53 5.039 -2.351 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.681 0.311 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.731 1.516 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.407 -0.807 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.259 0.888 5.034 1.00 0.00 H new ATOM 878 N GLU A 54 7.036 -7.364 7.112 1.00 0.00 N ATOM 879 CA GLU A 54 8.226 -8.062 6.537 1.00 0.00 C ATOM 880 C GLU A 54 7.782 -9.430 5.999 1.00 0.00 C ATOM 881 O GLU A 54 8.341 -9.944 5.048 1.00 0.00 O ATOM 882 CB GLU A 54 9.413 -8.183 7.535 1.00 0.00 C ATOM 883 CG GLU A 54 9.233 -9.192 8.678 1.00 0.00 C ATOM 884 CD GLU A 54 10.522 -9.399 9.483 1.00 0.00 C ATOM 885 OE1 GLU A 54 11.323 -10.289 9.133 1.00 0.00 O ATOM 886 OE2 GLU A 54 10.756 -8.653 10.452 1.00 0.00 O ATOM 0 H GLU A 54 6.821 -7.616 8.077 1.00 0.00 H new ATOM 0 HA GLU A 54 8.616 -7.455 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.307 -8.456 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.597 -7.201 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.443 -8.845 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.907 -10.148 8.268 1.00 0.00 H new ATOM 893 N VAL A 55 6.713 -9.969 6.613 1.00 0.00 N ATOM 894 CA VAL A 55 5.947 -11.097 6.020 1.00 0.00 C ATOM 895 C VAL A 55 5.226 -10.563 4.749 1.00 0.00 C ATOM 896 O VAL A 55 4.981 -11.290 3.784 1.00 0.00 O ATOM 897 CB VAL A 55 4.920 -11.709 7.055 1.00 0.00 C ATOM 898 CG1 VAL A 55 4.075 -12.849 6.442 1.00 0.00 C ATOM 899 CG2 VAL A 55 5.653 -12.203 8.324 1.00 0.00 C ATOM 0 H VAL A 55 6.356 -9.649 7.514 1.00 0.00 H new ATOM 0 HA VAL A 55 6.625 -11.908 5.752 1.00 0.00 H new ATOM 0 HB VAL A 55 4.232 -10.910 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.386 -13.235 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.509 -12.466 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.734 -13.651 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.929 -12.620 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.377 -12.970 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.171 -11.367 8.794 1.00 0.00 H new ATOM 909 N HIS A 56 4.990 -9.235 4.770 1.00 0.00 N ATOM 910 CA HIS A 56 4.375 -8.513 3.636 1.00 0.00 C ATOM 911 C HIS A 56 5.434 -7.577 2.977 1.00 0.00 C ATOM 912 O HIS A 56 5.116 -6.462 2.559 1.00 0.00 O ATOM 913 CB HIS A 56 3.099 -7.736 4.083 1.00 0.00 C ATOM 914 CG HIS A 56 1.902 -8.605 4.405 1.00 0.00 C ATOM 915 ND1 HIS A 56 0.635 -8.358 3.912 1.00 0.00 N ATOM 916 CD2 HIS A 56 1.781 -9.701 5.193 1.00 0.00 C ATOM 917 CE1 HIS A 56 -0.202 -9.260 4.384 1.00 0.00 C ATOM 918 NE2 HIS A 56 0.469 -10.086 5.162 1.00 0.00 N ATOM 0 H HIS A 56 5.218 -8.638 5.565 1.00 0.00 H new ATOM 0 HA HIS A 56 4.047 -9.235 2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.344 -7.140 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.821 -7.039 3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.575 -10.182 5.744 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.259 -9.313 4.170 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.074 -10.883 5.660 1.00 0.00 H new ATOM 927 N SER A 57 6.709 -8.047 2.914 1.00 0.00 N ATOM 928 CA SER A 57 7.790 -7.424 2.084 1.00 0.00 C ATOM 929 C SER A 57 8.669 -8.518 1.453 1.00 0.00 C ATOM 930 O SER A 57 9.004 -8.437 0.271 1.00 0.00 O ATOM 931 CB SER A 57 8.653 -6.416 2.874 1.00 0.00 C ATOM 932 OG SER A 57 7.953 -5.205 3.112 1.00 0.00 O ATOM 0 H SER A 57 7.021 -8.867 3.434 1.00 0.00 H new ATOM 0 HA SER A 57 7.298 -6.854 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.951 -6.858 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.568 -6.206 2.319 1.00 0.00 H new ATOM 0 HG SER A 57 7.363 -5.315 3.887 1.00 0.00 H new ATOM 938 N GLN A 58 9.045 -9.538 2.262 1.00 0.00 N ATOM 939 CA GLN A 58 9.587 -10.816 1.738 1.00 0.00 C ATOM 940 C GLN A 58 8.558 -11.398 0.755 1.00 0.00 C ATOM 941 O GLN A 58 8.899 -11.909 -0.311 1.00 0.00 O ATOM 942 CB GLN A 58 9.858 -11.834 2.886 1.00 0.00 C ATOM 943 CG GLN A 58 10.838 -11.342 3.980 1.00 0.00 C ATOM 944 CD GLN A 58 10.913 -12.275 5.196 1.00 0.00 C ATOM 945 OE1 GLN A 58 10.785 -13.493 5.074 1.00 0.00 O ATOM 946 NE2 GLN A 58 11.083 -11.708 6.388 1.00 0.00 N ATOM 0 H GLN A 58 8.983 -9.501 3.279 1.00 0.00 H new ATOM 0 HA GLN A 58 10.538 -10.627 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.909 -12.088 3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.254 -12.752 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.833 -11.241 3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.532 -10.350 4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.187 -10.696 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.110 -12.286 7.228 1.00 0.00 H new ATOM 955 N LYS A 59 7.277 -11.279 1.158 1.00 0.00 N ATOM 956 CA LYS A 59 6.123 -11.489 0.296 1.00 0.00 C ATOM 957 C LYS A 59 5.321 -10.171 0.246 1.00 0.00 C ATOM 958 O LYS A 59 4.298 -10.061 0.921 1.00 0.00 O ATOM 959 CB LYS A 59 5.229 -12.678 0.784 1.00 0.00 C ATOM 960 CG LYS A 59 5.876 -14.094 0.741 1.00 0.00 C ATOM 961 CD LYS A 59 6.839 -14.368 1.915 1.00 0.00 C ATOM 962 CE LYS A 59 7.330 -15.827 1.946 1.00 0.00 C ATOM 963 NZ LYS A 59 8.204 -16.090 3.118 1.00 0.00 N ATOM 0 H LYS A 59 7.023 -11.029 2.114 1.00 0.00 H new ATOM 0 HA LYS A 59 6.464 -11.762 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.920 -12.475 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.324 -12.697 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.087 -14.846 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.418 -14.208 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.697 -13.701 1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.337 -14.137 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.472 -16.499 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.876 -16.046 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.514 -17.083 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.036 -15.467 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.675 -15.905 3.994 1.00 0.00 H new ATOM 977 N LEU A 60 5.843 -9.177 -0.543 1.00 0.00 N ATOM 978 CA LEU A 60 5.339 -7.758 -0.603 1.00 0.00 C ATOM 979 C LEU A 60 3.797 -7.703 -0.548 1.00 0.00 C ATOM 980 O LEU A 60 3.225 -7.168 0.413 1.00 0.00 O ATOM 981 CB LEU A 60 5.919 -7.018 -1.877 1.00 0.00 C ATOM 982 CG LEU A 60 5.900 -5.422 -1.902 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.847 -4.840 -2.997 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.475 -4.846 -2.094 1.00 0.00 C ATOM 0 H LEU A 60 6.636 -9.339 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 60 5.699 -7.228 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.952 -7.340 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.364 -7.370 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 60 6.264 -5.114 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.801 -3.751 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.870 -5.164 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.533 -5.198 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.521 -3.757 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.064 -5.200 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.836 -5.175 -1.274 1.00 0.00 H new ATOM 996 N SER A 61 3.167 -8.303 -1.560 1.00 0.00 N ATOM 997 CA SER A 61 1.709 -8.497 -1.645 1.00 0.00 C ATOM 998 C SER A 61 1.418 -9.214 -2.957 1.00 0.00 C ATOM 999 O SER A 61 2.131 -8.962 -3.920 1.00 0.00 O ATOM 1000 CB SER A 61 0.916 -7.156 -1.580 1.00 0.00 C ATOM 1001 OG SER A 61 -0.482 -7.386 -1.488 1.00 0.00 O ATOM 0 H SER A 61 3.665 -8.679 -2.367 1.00 0.00 H new ATOM 0 HA SER A 61 1.382 -9.084 -0.787 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.248 -6.576 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.131 -6.561 -2.467 1.00 0.00 H new ATOM 0 HG SER A 61 -0.953 -6.527 -1.447 1.00 0.00 H new ATOM 1007 N LYS A 62 0.365 -10.074 -2.975 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.037 -10.954 -4.130 1.00 0.00 C ATOM 1009 C LYS A 62 0.307 -10.350 -5.526 1.00 0.00 C ATOM 1010 O LYS A 62 0.928 -11.004 -6.346 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.567 -11.221 -4.066 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.086 -11.837 -2.741 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.633 -11.766 -2.619 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.373 -12.457 -3.784 1.00 0.00 C ATOM 1015 NZ LYS A 62 -4.067 -13.909 -3.883 1.00 0.00 N ATOM 0 H LYS A 62 -0.251 -10.185 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 62 0.536 -11.876 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.089 -10.280 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.836 -11.888 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.767 -12.877 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.634 -11.313 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.937 -12.228 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.939 -10.721 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.447 -12.325 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.102 -11.969 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.591 -14.320 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.046 -14.039 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.350 -14.384 -3.002 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.142 -9.090 -5.700 1.00 0.00 N ATOM 1030 CA GLU A 63 0.221 -8.271 -6.894 1.00 0.00 C ATOM 1031 C GLU A 63 1.730 -8.311 -7.265 1.00 0.00 C ATOM 1032 O GLU A 63 2.116 -9.010 -8.212 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.263 -6.808 -6.708 1.00 0.00 C ATOM 1034 CG GLU A 63 0.035 -5.864 -7.899 1.00 0.00 C ATOM 1035 CD GLU A 63 -0.569 -6.365 -9.225 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -1.805 -6.332 -9.356 1.00 0.00 O ATOM 1037 OE2 GLU A 63 0.181 -6.810 -10.121 1.00 0.00 O ATOM 0 H GLU A 63 -0.753 -8.612 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.295 -8.728 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.338 -6.817 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.204 -6.398 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.359 -4.872 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.114 -5.760 -8.013 1.00 0.00 H new ATOM 1044 N ALA A 64 2.561 -7.575 -6.510 1.00 0.00 N ATOM 1045 CA ALA A 64 4.003 -7.452 -6.786 1.00 0.00 C ATOM 1046 C ALA A 64 4.682 -8.830 -6.698 1.00 0.00 C ATOM 1047 O ALA A 64 5.456 -9.193 -7.555 1.00 0.00 O ATOM 1048 CB ALA A 64 4.625 -6.456 -5.797 1.00 0.00 C ATOM 0 H ALA A 64 2.254 -7.049 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 64 4.154 -7.076 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.692 -6.362 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.147 -5.483 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.478 -6.815 -4.778 1.00 0.00 H new ATOM 1054 N GLN A 65 4.374 -9.506 -5.589 1.00 0.00 N ATOM 1055 CA GLN A 65 4.854 -10.898 -5.342 1.00 0.00 C ATOM 1056 C GLN A 65 4.687 -11.818 -6.600 1.00 0.00 C ATOM 1057 O GLN A 65 5.574 -12.625 -6.900 1.00 0.00 O ATOM 1058 CB GLN A 65 4.119 -11.531 -4.111 1.00 0.00 C ATOM 1059 CG GLN A 65 5.046 -11.916 -2.950 1.00 0.00 C ATOM 1060 CD GLN A 65 6.071 -13.008 -3.287 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.808 -13.900 -4.087 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.255 -12.931 -2.691 1.00 0.00 N ATOM 0 H GLN A 65 3.796 -9.126 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 65 5.920 -10.828 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.373 -10.825 -3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.582 -12.420 -4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.579 -11.025 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.436 -12.254 -2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.445 -12.178 -2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.974 -13.625 -2.894 1.00 0.00 H new ATOM 1071 N LYS A 66 3.596 -11.642 -7.383 1.00 0.00 N ATOM 1072 CA LYS A 66 3.287 -12.359 -8.630 1.00 0.00 C ATOM 1073 C LYS A 66 4.188 -11.859 -9.749 1.00 0.00 C ATOM 1074 O LYS A 66 4.754 -12.648 -10.459 1.00 0.00 O ATOM 1075 CB LYS A 66 1.785 -12.124 -8.978 1.00 0.00 C ATOM 1076 CG LYS A 66 1.375 -12.318 -10.454 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.025 -11.721 -10.757 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.066 -10.198 -10.522 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.418 -9.622 -10.710 1.00 0.00 N ATOM 0 H LYS A 66 2.875 -10.961 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 66 3.465 -13.427 -8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.185 -12.798 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.523 -11.108 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.116 -11.848 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.374 -13.382 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.295 -11.936 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.770 -12.205 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.278 -9.982 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.629 -9.711 -11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.385 -8.597 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.739 -9.801 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.080 -10.064 -10.040 1.00 0.00 H new ATOM 1093 N LEU A 67 4.231 -10.525 -9.911 1.00 0.00 N ATOM 1094 CA LEU A 67 5.159 -9.836 -10.853 1.00 0.00 C ATOM 1095 C LEU A 67 6.616 -10.389 -10.713 1.00 0.00 C ATOM 1096 O LEU A 67 7.327 -10.585 -11.698 1.00 0.00 O ATOM 1097 CB LEU A 67 5.126 -8.298 -10.632 1.00 0.00 C ATOM 1098 CG LEU A 67 3.718 -7.615 -10.694 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.829 -6.082 -10.534 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.936 -7.987 -11.981 1.00 0.00 C ATOM 0 H LEU A 67 3.626 -9.885 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 67 4.821 -10.041 -11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.567 -8.083 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.765 -7.831 -11.382 1.00 0.00 H new ATOM 0 HG LEU A 67 3.145 -8.003 -9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.835 -5.638 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.285 -5.849 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.446 -5.676 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.967 -7.488 -11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.503 -7.669 -12.856 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.788 -9.066 -12.018 1.00 0.00 H new ATOM 1112 N MET A 68 6.989 -10.678 -9.457 1.00 0.00 N ATOM 1113 CA MET A 68 8.310 -11.241 -9.091 1.00 0.00 C ATOM 1114 C MET A 68 8.429 -12.748 -9.441 1.00 0.00 C ATOM 1115 O MET A 68 9.529 -13.232 -9.723 1.00 0.00 O ATOM 1116 CB MET A 68 8.571 -10.998 -7.582 1.00 0.00 C ATOM 1117 CG MET A 68 8.543 -9.514 -7.204 1.00 0.00 C ATOM 1118 SD MET A 68 8.673 -9.210 -5.431 1.00 0.00 S ATOM 1119 CE MET A 68 8.399 -7.432 -5.381 1.00 0.00 C ATOM 0 H MET A 68 6.379 -10.528 -8.653 1.00 0.00 H new ATOM 0 HA MET A 68 9.071 -10.729 -9.680 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.820 -11.531 -6.998 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.540 -11.418 -7.314 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.362 -9.004 -7.711 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.617 -9.073 -7.572 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.256 -6.945 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.274 -7.054 -6.396 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.501 -7.218 -4.802 1.00 0.00 H new ATOM 1129 N LYS A 69 7.304 -13.484 -9.392 1.00 0.00 N ATOM 1130 CA LYS A 69 7.251 -14.919 -9.835 1.00 0.00 C ATOM 1131 C LYS A 69 6.511 -15.090 -11.189 1.00 0.00 C ATOM 1132 O LYS A 69 6.084 -16.205 -11.526 1.00 0.00 O ATOM 1133 CB LYS A 69 6.591 -15.803 -8.736 1.00 0.00 C ATOM 1134 CG LYS A 69 5.114 -15.466 -8.458 1.00 0.00 C ATOM 1135 CD LYS A 69 4.467 -16.333 -7.362 1.00 0.00 C ATOM 1136 CE LYS A 69 3.005 -15.924 -7.100 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.352 -16.794 -6.098 1.00 0.00 N ATOM 0 H LYS A 69 6.412 -13.123 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 69 8.279 -15.248 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.664 -16.849 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.157 -15.696 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.040 -14.418 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.546 -15.582 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.504 -17.381 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.041 -16.242 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.975 -14.890 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.445 -15.965 -8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.371 -16.482 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.356 -17.777 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.869 -16.736 -5.198 1.00 0.00 H new ATOM 1151 N MET A 70 6.376 -13.991 -11.968 1.00 0.00 N ATOM 1152 CA MET A 70 5.695 -14.022 -13.289 1.00 0.00 C ATOM 1153 C MET A 70 6.523 -14.845 -14.277 1.00 0.00 C ATOM 1154 O MET A 70 7.757 -14.815 -14.211 1.00 0.00 O ATOM 1155 CB MET A 70 5.431 -12.583 -13.864 1.00 0.00 C ATOM 1156 CG MET A 70 4.020 -12.024 -13.600 1.00 0.00 C ATOM 1157 SD MET A 70 2.714 -13.018 -14.360 1.00 0.00 S ATOM 1158 CE MET A 70 1.297 -11.916 -14.283 1.00 0.00 C ATOM 0 H MET A 70 6.729 -13.070 -11.706 1.00 0.00 H new ATOM 0 HA MET A 70 4.721 -14.489 -13.145 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.163 -11.898 -13.436 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.602 -12.601 -14.940 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.851 -11.972 -12.524 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.962 -11.004 -13.981 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.382 -12.489 -14.430 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.268 -11.429 -13.308 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.381 -11.160 -15.064 1.00 0.00 H new ATOM 1168 N PRO A 71 5.861 -15.624 -15.186 1.00 0.00 N ATOM 1169 CA PRO A 71 6.571 -16.336 -16.238 1.00 0.00 C ATOM 1170 C PRO A 71 7.137 -15.376 -17.308 1.00 0.00 C ATOM 1171 O PRO A 71 8.349 -15.143 -17.335 1.00 0.00 O ATOM 1172 CB PRO A 71 5.518 -17.330 -16.795 1.00 0.00 C ATOM 1173 CG PRO A 71 4.199 -16.700 -16.488 1.00 0.00 C ATOM 1174 CD PRO A 71 4.399 -15.911 -15.215 1.00 0.00 C ATOM 0 HA PRO A 71 7.457 -16.856 -15.874 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.644 -17.481 -17.867 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.609 -18.308 -16.323 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.878 -16.051 -17.303 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.426 -17.457 -16.360 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.813 -14.992 -15.220 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.088 -16.482 -14.340 1.00 0.00 H new ATOM 1182 N PHE A 72 6.288 -14.854 -18.218 1.00 0.00 N ATOM 1183 CA PHE A 72 6.739 -14.143 -19.423 1.00 0.00 C ATOM 1184 C PHE A 72 6.699 -12.626 -19.122 1.00 0.00 C ATOM 1185 O PHE A 72 5.619 -12.074 -18.936 1.00 0.00 O ATOM 1186 CB PHE A 72 5.799 -14.488 -20.601 1.00 0.00 C ATOM 1187 CG PHE A 72 5.660 -15.992 -20.862 1.00 0.00 C ATOM 1188 CD1 PHE A 72 6.570 -16.671 -21.670 1.00 0.00 C ATOM 1189 CD2 PHE A 72 4.621 -16.722 -20.292 1.00 0.00 C ATOM 1190 CE1 PHE A 72 6.441 -18.027 -21.898 1.00 0.00 C ATOM 1191 CE2 PHE A 72 4.493 -18.076 -20.517 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.403 -18.730 -21.322 1.00 0.00 C ATOM 0 H PHE A 72 5.273 -14.916 -18.134 1.00 0.00 H new ATOM 0 HA PHE A 72 7.753 -14.438 -19.695 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.812 -14.071 -20.400 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.172 -14.005 -21.504 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.387 -16.130 -22.124 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.902 -16.219 -19.662 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.154 -18.538 -22.528 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.681 -18.625 -20.063 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.303 -19.790 -21.501 1.00 0.00 H new ATOM 1202 N GLN A 73 7.871 -11.962 -19.052 1.00 0.00 N ATOM 1203 CA GLN A 73 7.969 -10.529 -18.649 1.00 0.00 C ATOM 1204 C GLN A 73 9.172 -9.823 -19.312 1.00 0.00 C ATOM 1205 O GLN A 73 10.024 -10.479 -19.925 1.00 0.00 O ATOM 1206 CB GLN A 73 8.070 -10.388 -17.094 1.00 0.00 C ATOM 1207 CG GLN A 73 9.423 -10.795 -16.452 1.00 0.00 C ATOM 1208 CD GLN A 73 9.759 -12.283 -16.606 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.410 -12.700 -17.567 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.296 -13.092 -15.673 1.00 0.00 N ATOM 0 H GLN A 73 8.771 -12.391 -19.269 1.00 0.00 H new ATOM 0 HA GLN A 73 7.056 -10.044 -18.995 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.865 -9.350 -16.831 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.282 -10.992 -16.644 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.220 -10.204 -16.902 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.401 -10.545 -15.391 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.761 -12.715 -14.891 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.473 -14.095 -15.734 1.00 0.00 H new ATOM 1219 N ARG A 74 9.220 -8.479 -19.154 1.00 0.00 N ATOM 1220 CA ARG A 74 10.379 -7.628 -19.517 1.00 0.00 C ATOM 1221 C ARG A 74 10.120 -6.181 -19.039 1.00 0.00 C ATOM 1222 O ARG A 74 9.061 -5.886 -18.503 1.00 0.00 O ATOM 1223 CB ARG A 74 10.656 -7.629 -21.053 1.00 0.00 C ATOM 1224 CG ARG A 74 9.570 -6.942 -21.907 1.00 0.00 C ATOM 1225 CD ARG A 74 9.928 -6.909 -23.397 1.00 0.00 C ATOM 1226 NE ARG A 74 8.858 -6.294 -24.212 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.410 -6.769 -25.387 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.874 -7.904 -25.888 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.483 -6.111 -26.049 1.00 0.00 N ATOM 0 H ARG A 74 8.442 -7.947 -18.764 1.00 0.00 H new ATOM 0 HA ARG A 74 11.260 -8.041 -19.026 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.610 -7.134 -21.236 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.763 -8.661 -21.388 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.624 -7.466 -21.776 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.422 -5.923 -21.550 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.854 -6.351 -23.535 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.112 -7.924 -23.748 1.00 0.00 H new ATOM 0 HE ARG A 74 8.426 -5.442 -23.854 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.583 -8.433 -25.381 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.522 -8.249 -26.781 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.106 -5.242 -25.671 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.142 -6.470 -26.941 1.00 0.00 H new ATOM 1243 N ALA A 75 11.104 -5.297 -19.240 1.00 0.00 N ATOM 1244 CA ALA A 75 10.966 -3.840 -18.989 1.00 0.00 C ATOM 1245 C ALA A 75 10.796 -3.111 -20.332 1.00 0.00 C ATOM 1246 O ALA A 75 11.783 -2.912 -21.043 1.00 0.00 O ATOM 1247 CB ALA A 75 12.172 -3.312 -18.197 1.00 0.00 C ATOM 0 H ALA A 75 12.027 -5.564 -19.583 1.00 0.00 H new ATOM 0 HA ALA A 75 10.081 -3.652 -18.381 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.053 -2.243 -18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.234 -3.831 -17.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.085 -3.487 -18.765 1.00 0.00 H new ATOM 1253 N ILE A 76 9.541 -2.752 -20.704 1.00 0.00 N ATOM 1254 CA ILE A 76 9.109 -2.376 -22.067 1.00 0.00 C ATOM 1255 C ILE A 76 9.892 -1.160 -22.621 1.00 0.00 C ATOM 1256 O ILE A 76 9.906 -0.094 -21.998 1.00 0.00 O ATOM 1257 CB ILE A 76 7.570 -1.996 -22.045 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.696 -3.117 -21.392 1.00 0.00 C ATOM 1259 CG2 ILE A 76 7.050 -1.651 -23.455 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.635 -4.431 -22.162 1.00 0.00 C ATOM 0 H ILE A 76 8.774 -2.716 -20.032 1.00 0.00 H new ATOM 0 HA ILE A 76 9.302 -3.234 -22.711 1.00 0.00 H new ATOM 0 HB ILE A 76 7.479 -1.105 -21.424 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.082 -3.319 -20.393 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.681 -2.739 -21.272 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.992 -1.396 -23.400 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.608 -0.802 -23.851 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.182 -2.511 -24.112 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.004 -5.139 -21.624 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.217 -4.253 -23.153 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.640 -4.842 -22.260 1.00 0.00 H new ATOM 1272 N THR A 77 10.523 -1.338 -23.793 1.00 0.00 N ATOM 1273 CA THR A 77 11.211 -0.257 -24.534 1.00 0.00 C ATOM 1274 C THR A 77 10.196 0.733 -25.149 1.00 0.00 C ATOM 1275 O THR A 77 9.055 0.347 -25.387 1.00 0.00 O ATOM 1276 CB THR A 77 12.089 -0.871 -25.675 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.266 -1.692 -26.526 1.00 0.00 O ATOM 1278 CG2 THR A 77 13.244 -1.721 -25.118 1.00 0.00 C ATOM 0 H THR A 77 10.573 -2.243 -24.261 1.00 0.00 H new ATOM 0 HA THR A 77 11.842 0.285 -23.829 1.00 0.00 H new ATOM 0 HB THR A 77 12.520 -0.045 -26.241 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.836 -2.199 -27.141 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.828 -2.128 -25.944 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.885 -1.099 -24.493 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.839 -2.539 -24.522 1.00 0.00 H new ATOM 1286 N LYS A 78 10.619 2.004 -25.370 1.00 0.00 N ATOM 1287 CA LYS A 78 9.821 3.024 -26.125 1.00 0.00 C ATOM 1288 C LYS A 78 9.365 2.471 -27.497 1.00 0.00 C ATOM 1289 O LYS A 78 8.270 2.768 -27.969 1.00 0.00 O ATOM 1290 CB LYS A 78 10.649 4.318 -26.354 1.00 0.00 C ATOM 1291 CG LYS A 78 10.986 5.101 -25.067 1.00 0.00 C ATOM 1292 CD LYS A 78 11.857 6.357 -25.327 1.00 0.00 C ATOM 1293 CE LYS A 78 11.164 7.416 -26.204 1.00 0.00 C ATOM 1294 NZ LYS A 78 12.046 8.588 -26.463 1.00 0.00 N ATOM 0 H LYS A 78 11.516 2.356 -25.035 1.00 0.00 H new ATOM 0 HA LYS A 78 8.944 3.257 -25.522 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.579 4.054 -26.857 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.097 4.973 -27.028 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.059 5.404 -24.580 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.509 4.441 -24.374 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.125 6.807 -24.371 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.787 6.051 -25.807 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.871 6.966 -27.152 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.250 7.751 -25.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.542 9.277 -27.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.306 9.033 -25.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.907 8.273 -26.954 1.00 0.00 H new ATOM 1308 N LYS A 79 10.298 1.745 -28.130 1.00 0.00 N ATOM 1309 CA LYS A 79 10.039 0.901 -29.323 1.00 0.00 C ATOM 1310 C LYS A 79 8.661 0.168 -29.213 1.00 0.00 C ATOM 1311 O LYS A 79 7.831 0.234 -30.126 1.00 0.00 O ATOM 1312 CB LYS A 79 11.173 -0.136 -29.525 1.00 0.00 C ATOM 1313 CG LYS A 79 10.961 -1.082 -30.733 1.00 0.00 C ATOM 1314 CD LYS A 79 11.969 -2.247 -30.757 1.00 0.00 C ATOM 1315 CE LYS A 79 11.638 -3.287 -31.836 1.00 0.00 C ATOM 1316 NZ LYS A 79 12.485 -4.508 -31.727 1.00 0.00 N ATOM 0 H LYS A 79 11.272 1.722 -27.828 1.00 0.00 H new ATOM 0 HA LYS A 79 10.009 1.563 -30.188 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.116 0.395 -29.655 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.267 -0.736 -28.620 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.948 -1.483 -30.702 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.049 -0.511 -31.657 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.970 -1.853 -30.931 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.982 -2.732 -29.781 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.588 -3.568 -31.756 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.774 -2.841 -32.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.224 -5.180 -32.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.486 -4.246 -31.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.337 -4.951 -30.798 1.00 0.00 H new ATOM 1330 N GLU A 80 8.435 -0.502 -28.065 1.00 0.00 N ATOM 1331 CA GLU A 80 7.211 -1.282 -27.774 1.00 0.00 C ATOM 1332 C GLU A 80 6.133 -0.423 -27.074 1.00 0.00 C ATOM 1333 O GLU A 80 4.981 -0.856 -26.947 1.00 0.00 O ATOM 1334 CB GLU A 80 7.603 -2.504 -26.906 1.00 0.00 C ATOM 1335 CG GLU A 80 8.575 -3.471 -27.605 1.00 0.00 C ATOM 1336 CD GLU A 80 7.994 -4.037 -28.910 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.978 -4.760 -28.839 1.00 0.00 O ATOM 1338 OE2 GLU A 80 8.521 -3.743 -30.005 1.00 0.00 O ATOM 0 H GLU A 80 9.109 -0.518 -27.299 1.00 0.00 H new ATOM 0 HA GLU A 80 6.771 -1.620 -28.712 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.058 -2.151 -25.981 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.699 -3.047 -26.630 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.509 -2.952 -27.820 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.815 -4.293 -26.930 1.00 0.00 H new ATOM 1345 N GLN A 81 6.507 0.803 -26.642 1.00 0.00 N ATOM 1346 CA GLN A 81 5.528 1.797 -26.149 1.00 0.00 C ATOM 1347 C GLN A 81 4.967 2.665 -27.274 1.00 0.00 C ATOM 1348 O GLN A 81 3.952 3.343 -27.064 1.00 0.00 O ATOM 1349 CB GLN A 81 6.184 2.726 -25.083 1.00 0.00 C ATOM 1350 CG GLN A 81 6.773 2.014 -23.845 1.00 0.00 C ATOM 1351 CD GLN A 81 7.400 2.970 -22.827 1.00 0.00 C ATOM 1352 OE1 GLN A 81 6.958 4.109 -22.672 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.437 2.521 -22.134 1.00 0.00 N ATOM 0 H GLN A 81 7.474 1.126 -26.625 1.00 0.00 H new ATOM 0 HA GLN A 81 4.708 1.232 -25.707 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.979 3.295 -25.564 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.437 3.444 -24.745 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.984 1.442 -23.356 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.528 1.299 -24.173 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.779 1.572 -22.286 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.892 3.124 -21.449 1.00 0.00 H new ATOM 1362 N ALA A 82 5.614 2.666 -28.464 1.00 0.00 N ATOM 1363 CA ALA A 82 5.221 3.544 -29.580 1.00 0.00 C ATOM 1364 C ALA A 82 3.855 3.121 -30.115 1.00 0.00 C ATOM 1365 O ALA A 82 3.083 3.944 -30.625 1.00 0.00 O ATOM 1366 CB ALA A 82 6.291 3.497 -30.684 1.00 0.00 C ATOM 0 H ALA A 82 6.412 2.065 -28.671 1.00 0.00 H new ATOM 0 HA ALA A 82 5.144 4.572 -29.226 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.994 4.148 -31.506 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.246 3.834 -30.280 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.392 2.475 -31.049 1.00 0.00 H new ATOM 1372 N ASP A 83 3.576 1.817 -29.976 1.00 0.00 N ATOM 1373 CA ASP A 83 2.257 1.250 -30.219 1.00 0.00 C ATOM 1374 C ASP A 83 1.941 0.265 -29.075 1.00 0.00 C ATOM 1375 O ASP A 83 2.312 -0.921 -29.121 1.00 0.00 O ATOM 1376 CB ASP A 83 2.187 0.576 -31.621 1.00 0.00 C ATOM 1377 CG ASP A 83 0.757 0.364 -32.161 1.00 0.00 C ATOM 1378 OD1 ASP A 83 -0.223 0.461 -31.390 1.00 0.00 O ATOM 1379 OD2 ASP A 83 0.609 0.076 -33.369 1.00 0.00 O ATOM 0 H ASP A 83 4.270 1.127 -29.689 1.00 0.00 H new ATOM 0 HA ASP A 83 1.501 2.036 -30.229 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.743 1.188 -32.332 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.689 -0.390 -31.571 1.00 0.00 H new ATOM 1384 N MET A 84 1.261 0.800 -28.042 1.00 0.00 N ATOM 1385 CA MET A 84 0.801 0.032 -26.864 1.00 0.00 C ATOM 1386 C MET A 84 -0.421 -0.827 -27.234 1.00 0.00 C ATOM 1387 O MET A 84 -0.713 -1.823 -26.563 1.00 0.00 O ATOM 1388 CB MET A 84 0.478 0.991 -25.672 1.00 0.00 C ATOM 1389 CG MET A 84 1.642 1.183 -24.701 1.00 0.00 C ATOM 1390 SD MET A 84 2.029 -0.357 -23.835 1.00 0.00 S ATOM 1391 CE MET A 84 3.609 0.025 -23.095 1.00 0.00 C ATOM 0 H MET A 84 1.012 1.788 -28.000 1.00 0.00 H new ATOM 0 HA MET A 84 1.602 -0.635 -26.545 1.00 0.00 H new ATOM 0 HB2 MET A 84 0.185 1.963 -26.069 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.379 0.599 -25.124 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.521 1.528 -25.246 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.391 1.958 -23.977 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.832 -0.704 -22.316 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.386 -0.011 -23.858 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.575 1.023 -22.659 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.109 -0.416 -28.316 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.174 -1.203 -28.920 1.00 0.00 C ATOM 1403 C GLY A 85 -1.656 -2.532 -29.435 1.00 0.00 C ATOM 1404 O GLY A 85 -2.080 -3.593 -28.961 1.00 0.00 O ATOM 0 H GLY A 85 -0.934 0.471 -28.787 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.961 -1.377 -28.186 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.622 -0.643 -29.741 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.693 -2.441 -30.375 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.042 -3.591 -31.017 1.00 0.00 C ATOM 1410 C LYS A 86 0.588 -4.522 -29.961 1.00 0.00 C ATOM 1411 O LYS A 86 0.363 -5.738 -29.985 1.00 0.00 O ATOM 1412 CB LYS A 86 1.006 -3.073 -32.059 1.00 0.00 C ATOM 1413 CG LYS A 86 1.872 -4.123 -32.816 1.00 0.00 C ATOM 1414 CD LYS A 86 3.196 -4.477 -32.090 1.00 0.00 C ATOM 1415 CE LYS A 86 4.147 -3.272 -31.900 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.413 -3.669 -31.214 1.00 0.00 N ATOM 0 H LYS A 86 -0.342 -1.545 -30.713 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.783 -4.187 -31.550 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.472 -2.483 -32.804 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.683 -2.394 -31.541 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.288 -5.033 -32.952 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.104 -3.741 -33.810 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.962 -4.900 -31.113 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.714 -5.251 -32.657 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.381 -2.836 -32.871 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.644 -2.500 -31.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.025 -2.835 -31.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.192 -4.061 -30.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.905 -4.387 -31.783 1.00 0.00 H new ATOM 1430 N LEU A 87 1.420 -3.931 -29.083 1.00 0.00 N ATOM 1431 CA LEU A 87 2.033 -4.655 -27.953 1.00 0.00 C ATOM 1432 C LEU A 87 0.988 -5.491 -27.142 1.00 0.00 C ATOM 1433 O LEU A 87 1.116 -6.714 -27.065 1.00 0.00 O ATOM 1434 CB LEU A 87 2.816 -3.670 -27.039 1.00 0.00 C ATOM 1435 CG LEU A 87 3.402 -4.279 -25.723 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.456 -5.367 -26.014 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.967 -3.181 -24.804 1.00 0.00 C ATOM 0 H LEU A 87 1.685 -2.947 -29.135 1.00 0.00 H new ATOM 0 HA LEU A 87 2.740 -5.374 -28.368 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.637 -3.244 -27.616 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.153 -2.847 -26.772 1.00 0.00 H new ATOM 0 HG LEU A 87 2.580 -4.763 -25.196 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.838 -5.764 -25.074 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.999 -6.172 -26.589 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.277 -4.934 -26.585 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.367 -3.635 -23.898 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.762 -2.646 -25.323 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.172 -2.483 -24.540 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.053 -4.833 -26.589 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.081 -5.500 -25.730 1.00 0.00 C ATOM 1451 C LYS A 88 -1.967 -6.535 -26.475 1.00 0.00 C ATOM 1452 O LYS A 88 -2.442 -7.504 -25.855 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.967 -4.437 -25.023 1.00 0.00 C ATOM 1454 CG LYS A 88 -1.277 -3.740 -23.825 1.00 0.00 C ATOM 1455 CD LYS A 88 -2.179 -2.689 -23.132 1.00 0.00 C ATOM 1456 CE LYS A 88 -1.639 -2.260 -21.756 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.620 -3.391 -20.784 1.00 0.00 N ATOM 0 H LYS A 88 -0.213 -3.834 -26.718 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.521 -6.072 -24.991 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.260 -3.681 -25.751 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.882 -4.915 -24.674 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.981 -4.494 -23.095 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.364 -3.255 -24.171 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.267 -1.812 -23.773 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.182 -3.099 -23.013 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.630 -1.864 -21.870 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.256 -1.453 -21.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.531 -3.017 -19.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.503 -3.934 -20.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.812 -4.012 -20.990 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.147 -6.360 -27.807 1.00 0.00 N ATOM 1472 CA LYS A 89 -2.980 -7.307 -28.619 1.00 0.00 C ATOM 1473 C LYS A 89 -2.160 -8.562 -29.019 1.00 0.00 C ATOM 1474 O LYS A 89 -2.640 -9.430 -29.756 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.642 -6.597 -29.846 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.700 -6.075 -30.967 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.364 -7.122 -32.056 1.00 0.00 C ATOM 1478 CE LYS A 89 -1.373 -6.601 -33.106 1.00 0.00 C ATOM 1479 NZ LYS A 89 -1.067 -7.630 -34.132 1.00 0.00 N ATOM 0 H LYS A 89 -1.740 -5.592 -28.341 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.804 -7.652 -27.994 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.348 -7.294 -30.297 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.222 -5.753 -29.473 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.164 -5.210 -31.442 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.771 -5.729 -30.513 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.948 -8.010 -31.581 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.284 -7.428 -32.554 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.787 -5.717 -33.590 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.451 -6.292 -32.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.395 -7.241 -34.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.648 -8.464 -33.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.944 -7.906 -34.619 1.00 0.00 H new ATOM 1493 N SER A 90 -0.947 -8.642 -28.459 1.00 0.00 N ATOM 1494 CA SER A 90 -0.022 -9.766 -28.658 1.00 0.00 C ATOM 1495 C SER A 90 0.232 -10.500 -27.328 1.00 0.00 C ATOM 1496 O SER A 90 1.081 -11.402 -27.262 1.00 0.00 O ATOM 1497 CB SER A 90 1.298 -9.216 -29.237 1.00 0.00 C ATOM 1498 OG SER A 90 2.190 -10.255 -29.632 1.00 0.00 O ATOM 0 H SER A 90 -0.574 -7.917 -27.846 1.00 0.00 H new ATOM 0 HA SER A 90 -0.457 -10.484 -29.353 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.079 -8.582 -30.096 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.784 -8.586 -28.492 1.00 0.00 H new ATOM 0 HG SER A 90 2.057 -11.037 -29.056 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.504 -10.120 -26.268 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.274 -10.670 -24.919 1.00 0.00 C ATOM 1506 C VAL A 91 -1.527 -11.347 -24.363 1.00 0.00 C ATOM 1507 O VAL A 91 -1.531 -12.562 -24.199 1.00 0.00 O ATOM 1508 CB VAL A 91 0.193 -9.572 -23.892 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.892 -10.221 -22.683 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.082 -8.508 -24.552 1.00 0.00 C ATOM 0 H VAL A 91 -1.260 -9.437 -26.318 1.00 0.00 H new ATOM 0 HA VAL A 91 0.522 -11.406 -25.038 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.698 -9.057 -23.533 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.207 -9.445 -21.985 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.200 -10.899 -22.183 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.764 -10.779 -23.023 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.381 -7.771 -23.807 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.970 -8.983 -24.969 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.527 -8.014 -25.349 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.592 -10.536 -24.128 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.727 -10.885 -23.239 1.00 0.00 C ATOM 1522 C ARG A 92 -3.220 -10.973 -21.770 1.00 0.00 C ATOM 1523 O ARG A 92 -2.503 -11.915 -21.410 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.444 -12.211 -23.659 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.588 -12.681 -22.702 1.00 0.00 C ATOM 1526 CD ARG A 92 -5.622 -14.210 -22.505 1.00 0.00 C ATOM 1527 NE ARG A 92 -4.343 -14.729 -21.954 1.00 0.00 N ATOM 1528 CZ ARG A 92 -4.162 -15.950 -21.416 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.153 -16.827 -21.349 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -2.974 -16.290 -20.943 1.00 0.00 N ATOM 0 H ARG A 92 -2.686 -9.614 -24.555 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.474 -10.096 -23.329 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.859 -12.080 -24.658 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.698 -13.003 -23.725 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.464 -12.198 -21.733 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.547 -12.351 -23.102 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.439 -14.471 -21.832 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.828 -14.694 -23.460 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.534 -14.108 -21.986 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.075 -16.583 -21.709 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.993 -17.746 -20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.199 -15.628 -20.987 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.833 -17.214 -20.535 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.565 -9.965 -20.950 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.204 -9.943 -19.522 1.00 0.00 C ATOM 1546 C GLY A 93 -1.879 -9.244 -19.226 1.00 0.00 C ATOM 1547 O GLY A 93 -1.259 -9.507 -18.185 1.00 0.00 O ATOM 0 H GLY A 93 -4.097 -9.150 -21.255 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.998 -9.445 -18.965 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.152 -10.968 -19.155 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.427 -8.391 -20.165 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.234 -7.545 -19.970 1.00 0.00 C ATOM 1553 C LEU A 94 -0.484 -6.481 -18.885 1.00 0.00 C ATOM 1554 O LEU A 94 -1.427 -5.694 -18.980 1.00 0.00 O ATOM 1555 CB LEU A 94 0.194 -6.861 -21.289 1.00 0.00 C ATOM 1556 CG LEU A 94 1.515 -6.025 -21.228 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.710 -6.873 -20.734 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.826 -5.370 -22.589 1.00 0.00 C ATOM 0 H LEU A 94 -1.875 -8.269 -21.073 1.00 0.00 H new ATOM 0 HA LEU A 94 0.575 -8.198 -19.643 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.308 -7.629 -22.054 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.614 -6.205 -21.614 1.00 0.00 H new ATOM 0 HG LEU A 94 1.358 -5.229 -20.500 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.608 -6.255 -20.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.499 -7.251 -19.734 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.867 -7.711 -21.413 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.750 -4.796 -22.514 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.940 -6.144 -23.348 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.008 -4.706 -22.869 1.00 0.00 H new ATOM 1570 N VAL A 95 0.398 -6.471 -17.881 1.00 0.00 N ATOM 1571 CA VAL A 95 0.381 -5.588 -16.708 1.00 0.00 C ATOM 1572 C VAL A 95 1.590 -4.655 -16.839 1.00 0.00 C ATOM 1573 O VAL A 95 2.707 -5.143 -16.832 1.00 0.00 O ATOM 1574 CB VAL A 95 0.483 -6.415 -15.365 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.382 -5.497 -14.120 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.573 -7.549 -15.324 1.00 0.00 C ATOM 0 H VAL A 95 1.189 -7.115 -17.863 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.555 -5.030 -16.671 1.00 0.00 H new ATOM 0 HB VAL A 95 1.468 -6.881 -15.341 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.456 -6.101 -13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.193 -4.769 -14.138 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.575 -4.974 -14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.479 -8.101 -14.389 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.572 -7.118 -15.392 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.412 -8.227 -16.163 1.00 0.00 H new ATOM 1586 N VAL A 96 1.385 -3.324 -16.925 1.00 0.00 N ATOM 1587 CA VAL A 96 2.457 -2.379 -17.339 1.00 0.00 C ATOM 1588 C VAL A 96 2.646 -1.304 -16.247 1.00 0.00 C ATOM 1589 O VAL A 96 1.812 -0.403 -16.103 1.00 0.00 O ATOM 1590 CB VAL A 96 2.131 -1.686 -18.718 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.318 -0.845 -19.225 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.702 -2.707 -19.793 1.00 0.00 C ATOM 0 H VAL A 96 0.493 -2.876 -16.715 1.00 0.00 H new ATOM 0 HA VAL A 96 3.376 -2.951 -17.466 1.00 0.00 H new ATOM 0 HB VAL A 96 1.289 -1.018 -18.536 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.056 -0.383 -20.177 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.551 -0.068 -18.497 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.188 -1.488 -19.361 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.487 -2.185 -20.726 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.507 -3.424 -19.955 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.808 -3.234 -19.458 1.00 0.00 H new ATOM 1602 N VAL A 97 3.745 -1.406 -15.481 1.00 0.00 N ATOM 1603 CA VAL A 97 4.027 -0.546 -14.317 1.00 0.00 C ATOM 1604 C VAL A 97 4.964 0.607 -14.742 1.00 0.00 C ATOM 1605 O VAL A 97 6.104 0.355 -15.136 1.00 0.00 O ATOM 1606 CB VAL A 97 4.677 -1.384 -13.148 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.844 -0.540 -11.863 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.865 -2.673 -12.862 1.00 0.00 C ATOM 0 H VAL A 97 4.474 -2.098 -15.655 1.00 0.00 H new ATOM 0 HA VAL A 97 3.089 -0.129 -13.950 1.00 0.00 H new ATOM 0 HB VAL A 97 5.673 -1.679 -13.479 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.295 -1.152 -11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.487 0.315 -12.070 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.868 -0.187 -11.530 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.338 -3.229 -12.052 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.848 -2.406 -12.574 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.837 -3.292 -13.759 1.00 0.00 H new ATOM 1618 N HIS A 98 4.487 1.864 -14.650 1.00 0.00 N ATOM 1619 CA HIS A 98 5.239 3.060 -15.091 1.00 0.00 C ATOM 1620 C HIS A 98 6.089 3.581 -13.901 1.00 0.00 C ATOM 1621 O HIS A 98 5.603 3.555 -12.775 1.00 0.00 O ATOM 1622 CB HIS A 98 4.210 4.134 -15.572 1.00 0.00 C ATOM 1623 CG HIS A 98 4.809 5.371 -16.199 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.341 6.373 -15.433 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.972 5.697 -17.509 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.807 7.267 -16.284 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.604 6.902 -17.546 1.00 0.00 N ATOM 0 H HIS A 98 3.567 2.081 -14.267 1.00 0.00 H new ATOM 0 HA HIS A 98 5.913 2.826 -15.915 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.538 3.671 -16.294 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.602 4.437 -14.720 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.659 5.110 -18.360 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.295 8.185 -15.991 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.870 7.424 -18.381 1.00 0.00 H new ATOM 1635 N PRO A 99 7.349 4.082 -14.115 1.00 0.00 N ATOM 1636 CA PRO A 99 8.263 4.467 -12.995 1.00 0.00 C ATOM 1637 C PRO A 99 7.754 5.638 -12.112 1.00 0.00 C ATOM 1638 O PRO A 99 8.182 5.778 -10.966 1.00 0.00 O ATOM 1639 CB PRO A 99 9.575 4.857 -13.729 1.00 0.00 C ATOM 1640 CG PRO A 99 9.140 5.234 -15.110 1.00 0.00 C ATOM 1641 CD PRO A 99 8.000 4.305 -15.435 1.00 0.00 C ATOM 0 HA PRO A 99 8.366 3.649 -12.282 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.076 5.687 -13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.280 4.026 -13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.822 6.276 -15.152 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.956 5.121 -15.824 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.311 4.750 -16.153 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.355 3.371 -15.871 1.00 0.00 H new ATOM 1649 N MET A 100 6.859 6.480 -12.667 1.00 0.00 N ATOM 1650 CA MET A 100 6.363 7.683 -11.949 1.00 0.00 C ATOM 1651 C MET A 100 5.087 7.398 -11.144 1.00 0.00 C ATOM 1652 O MET A 100 4.635 8.267 -10.384 1.00 0.00 O ATOM 1653 CB MET A 100 6.123 8.857 -12.926 1.00 0.00 C ATOM 1654 CG MET A 100 7.368 9.289 -13.707 1.00 0.00 C ATOM 1655 SD MET A 100 7.185 10.913 -14.485 1.00 0.00 S ATOM 1656 CE MET A 100 5.638 10.737 -15.385 1.00 0.00 C ATOM 0 H MET A 100 6.465 6.356 -13.600 1.00 0.00 H new ATOM 0 HA MET A 100 7.144 7.965 -11.242 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.345 8.572 -13.634 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.746 9.711 -12.364 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.224 9.309 -13.033 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.584 8.546 -14.475 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.835 10.770 -16.457 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.175 9.784 -15.130 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.965 11.551 -15.115 1.00 0.00 H new ATOM 1666 N THR A 101 4.512 6.186 -11.299 1.00 0.00 N ATOM 1667 CA THR A 101 3.309 5.765 -10.536 1.00 0.00 C ATOM 1668 C THR A 101 3.649 5.511 -9.060 1.00 0.00 C ATOM 1669 O THR A 101 4.801 5.666 -8.635 1.00 0.00 O ATOM 1670 CB THR A 101 2.625 4.481 -11.136 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.536 3.372 -11.142 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.080 4.740 -12.552 1.00 0.00 C ATOM 0 H THR A 101 4.860 5.478 -11.946 1.00 0.00 H new ATOM 0 HA THR A 101 2.603 6.591 -10.614 1.00 0.00 H new ATOM 0 HB THR A 101 1.780 4.231 -10.495 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.214 3.509 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.615 3.832 -12.935 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.340 5.539 -12.516 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.899 5.033 -13.209 1.00 0.00 H new ATOM 1680 N ALA A 102 2.617 5.142 -8.288 1.00 0.00 N ATOM 1681 CA ALA A 102 2.764 4.764 -6.892 1.00 0.00 C ATOM 1682 C ALA A 102 3.750 3.602 -6.752 1.00 0.00 C ATOM 1683 O ALA A 102 4.853 3.795 -6.222 1.00 0.00 O ATOM 1684 CB ALA A 102 1.406 4.413 -6.272 1.00 0.00 C ATOM 0 H ALA A 102 1.655 5.100 -8.625 1.00 0.00 H new ATOM 0 HA ALA A 102 3.166 5.618 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.544 4.134 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.744 5.277 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.963 3.578 -6.815 1.00 0.00 H new ATOM 1690 N LEU A 103 3.354 2.407 -7.247 1.00 0.00 N ATOM 1691 CA LEU A 103 4.145 1.171 -7.143 1.00 0.00 C ATOM 1692 C LEU A 103 5.463 1.322 -7.932 1.00 0.00 C ATOM 1693 O LEU A 103 6.515 0.833 -7.510 1.00 0.00 O ATOM 1694 CB LEU A 103 3.303 -0.003 -7.731 1.00 0.00 C ATOM 1695 CG LEU A 103 3.823 -1.447 -7.440 1.00 0.00 C ATOM 1696 CD1 LEU A 103 3.899 -1.726 -5.918 1.00 0.00 C ATOM 1697 CD2 LEU A 103 2.959 -2.513 -8.166 1.00 0.00 C ATOM 0 H LEU A 103 2.467 2.278 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 103 4.388 0.969 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.287 0.078 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.244 0.127 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 103 4.836 -1.516 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.265 -2.739 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.579 -1.014 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.907 -1.622 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.346 -3.508 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.927 -2.440 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.997 -2.341 -9.242 1.00 0.00 H new ATOM 1709 N GLY A 104 5.343 1.968 -9.109 1.00 0.00 N ATOM 1710 CA GLY A 104 6.486 2.430 -9.888 1.00 0.00 C ATOM 1711 C GLY A 104 7.593 3.117 -9.104 1.00 0.00 C ATOM 1712 O GLY A 104 8.770 2.877 -9.379 1.00 0.00 O ATOM 0 H GLY A 104 4.443 2.180 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.915 1.574 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.126 3.120 -10.651 1.00 0.00 H new ATOM 1716 N ARG A 105 7.257 3.963 -8.111 1.00 0.00 N ATOM 1717 CA ARG A 105 8.270 4.588 -7.257 1.00 0.00 C ATOM 1718 C ARG A 105 8.500 3.754 -5.997 1.00 0.00 C ATOM 1719 O ARG A 105 9.573 3.871 -5.387 1.00 0.00 O ATOM 1720 CB ARG A 105 7.850 6.033 -6.869 1.00 0.00 C ATOM 1721 CG ARG A 105 7.683 6.979 -8.073 1.00 0.00 C ATOM 1722 CD ARG A 105 7.449 8.449 -7.682 1.00 0.00 C ATOM 1723 NE ARG A 105 6.165 8.666 -6.985 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.620 9.868 -6.723 1.00 0.00 C ATOM 1725 NH1 ARG A 105 6.211 10.991 -7.129 1.00 0.00 N ATOM 1726 NH2 ARG A 105 4.476 9.938 -6.054 1.00 0.00 N ATOM 0 H ARG A 105 6.297 4.224 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 105 9.202 4.637 -7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.910 5.992 -6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.597 6.449 -6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.574 6.917 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.844 6.636 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.265 8.782 -7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.477 9.066 -8.580 1.00 0.00 H new ATOM 0 HE ARG A 105 5.651 7.840 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.089 10.947 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.785 11.895 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.015 9.084 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.058 10.846 -5.852 1.00 0.00 H new ATOM 1740 N GLU A 106 7.506 2.921 -5.577 1.00 0.00 N ATOM 1741 CA GLU A 106 7.584 2.144 -4.336 1.00 0.00 C ATOM 1742 C GLU A 106 8.619 1.032 -4.466 1.00 0.00 C ATOM 1743 O GLU A 106 9.597 1.022 -3.717 1.00 0.00 O ATOM 1744 CB GLU A 106 6.192 1.547 -3.976 1.00 0.00 C ATOM 1745 CG GLU A 106 6.150 0.736 -2.662 1.00 0.00 C ATOM 1746 CD GLU A 106 6.565 1.561 -1.424 1.00 0.00 C ATOM 1747 OE1 GLU A 106 5.707 2.253 -0.841 1.00 0.00 O ATOM 1748 OE2 GLU A 106 7.759 1.537 -1.041 1.00 0.00 O ATOM 0 H GLU A 106 6.639 2.780 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 106 7.892 2.813 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.471 2.362 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.867 0.903 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.141 0.351 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.810 -0.127 -2.754 1.00 0.00 H new ATOM 1755 N MET A 107 8.419 0.078 -5.410 1.00 0.00 N ATOM 1756 CA MET A 107 9.393 -1.006 -5.688 1.00 0.00 C ATOM 1757 C MET A 107 10.735 -0.406 -6.181 1.00 0.00 C ATOM 1758 O MET A 107 11.768 -1.077 -6.174 1.00 0.00 O ATOM 1759 CB MET A 107 8.800 -1.973 -6.772 1.00 0.00 C ATOM 1760 CG MET A 107 7.576 -2.789 -6.309 1.00 0.00 C ATOM 1761 SD MET A 107 6.497 -3.359 -7.658 1.00 0.00 S ATOM 1762 CE MET A 107 7.563 -4.343 -8.709 1.00 0.00 C ATOM 0 H MET A 107 7.585 0.039 -5.995 1.00 0.00 H new ATOM 0 HA MET A 107 9.581 -1.565 -4.772 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.519 -1.387 -7.647 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.581 -2.664 -7.089 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.924 -3.656 -5.748 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.988 -2.180 -5.622 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.989 -4.727 -9.552 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.381 -3.724 -9.079 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.969 -5.177 -8.136 1.00 0.00 H new ATOM 1772 N GLY A 108 10.672 0.871 -6.613 1.00 0.00 N ATOM 1773 CA GLY A 108 11.852 1.658 -6.972 1.00 0.00 C ATOM 1774 C GLY A 108 12.232 1.523 -8.435 1.00 0.00 C ATOM 1775 O GLY A 108 13.422 1.508 -8.774 1.00 0.00 O ATOM 0 H GLY A 108 9.794 1.379 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.664 2.708 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.693 1.345 -6.353 1.00 0.00 H new ATOM 1779 N LEU A 109 11.218 1.419 -9.307 1.00 0.00 N ATOM 1780 CA LEU A 109 11.412 1.303 -10.760 1.00 0.00 C ATOM 1781 C LEU A 109 11.763 2.676 -11.358 1.00 0.00 C ATOM 1782 O LEU A 109 11.184 3.698 -10.981 1.00 0.00 O ATOM 1783 CB LEU A 109 10.142 0.729 -11.457 1.00 0.00 C ATOM 1784 CG LEU A 109 9.570 -0.608 -10.883 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.404 -1.134 -11.752 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.663 -1.689 -10.727 1.00 0.00 C ATOM 0 H LEU A 109 10.238 1.413 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 109 12.236 0.611 -10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.357 1.484 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.372 0.576 -12.511 1.00 0.00 H new ATOM 0 HG LEU A 109 9.186 -0.386 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.026 -2.065 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.604 -0.394 -11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.759 -1.314 -12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.219 -2.600 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.107 -1.900 -11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.435 -1.330 -10.046 1.00 0.00 H new ATOM 1798 N GLU A 110 12.724 2.673 -12.291 1.00 0.00 N ATOM 1799 CA GLU A 110 13.156 3.869 -13.048 1.00 0.00 C ATOM 1800 C GLU A 110 12.818 3.698 -14.542 1.00 0.00 C ATOM 1801 O GLU A 110 13.164 4.539 -15.375 1.00 0.00 O ATOM 1802 CB GLU A 110 14.668 4.096 -12.827 1.00 0.00 C ATOM 1803 CG GLU A 110 15.562 2.907 -13.239 1.00 0.00 C ATOM 1804 CD GLU A 110 16.986 2.997 -12.664 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.830 3.696 -13.250 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.255 2.393 -11.607 1.00 0.00 O ATOM 0 H GLU A 110 13.235 1.829 -12.550 1.00 0.00 H new ATOM 0 HA GLU A 110 12.623 4.749 -12.689 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.976 4.977 -13.389 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.839 4.315 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.099 1.979 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.618 2.861 -14.327 1.00 0.00 H new ATOM 1813 N GLU A 111 12.073 2.624 -14.842 1.00 0.00 N ATOM 1814 CA GLU A 111 11.718 2.233 -16.215 1.00 0.00 C ATOM 1815 C GLU A 111 10.291 1.651 -16.249 1.00 0.00 C ATOM 1816 O GLU A 111 9.825 1.067 -15.254 1.00 0.00 O ATOM 1817 CB GLU A 111 12.750 1.197 -16.768 1.00 0.00 C ATOM 1818 CG GLU A 111 12.790 -0.187 -16.065 1.00 0.00 C ATOM 1819 CD GLU A 111 13.340 -0.157 -14.622 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.576 -0.160 -14.449 1.00 0.00 O ATOM 1821 OE2 GLU A 111 12.546 -0.139 -13.662 1.00 0.00 O ATOM 0 H GLU A 111 11.696 1.996 -14.132 1.00 0.00 H new ATOM 0 HA GLU A 111 11.746 3.117 -16.852 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.538 1.036 -17.825 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.744 1.640 -16.706 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.782 -0.601 -16.047 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.402 -0.865 -16.660 1.00 0.00 H new ATOM 1828 N MET A 112 9.586 1.862 -17.382 1.00 0.00 N ATOM 1829 CA MET A 112 8.267 1.262 -17.630 1.00 0.00 C ATOM 1830 C MET A 112 8.453 -0.236 -17.873 1.00 0.00 C ATOM 1831 O MET A 112 9.091 -0.654 -18.852 1.00 0.00 O ATOM 1832 CB MET A 112 7.544 1.914 -18.848 1.00 0.00 C ATOM 1833 CG MET A 112 6.365 1.078 -19.399 1.00 0.00 C ATOM 1834 SD MET A 112 5.248 1.989 -20.481 1.00 0.00 S ATOM 1835 CE MET A 112 4.159 2.756 -19.291 1.00 0.00 C ATOM 0 H MET A 112 9.918 2.452 -18.145 1.00 0.00 H new ATOM 0 HA MET A 112 7.638 1.436 -16.757 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.174 2.896 -18.555 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.269 2.072 -19.646 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.765 0.224 -19.946 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.794 0.680 -18.560 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.794 3.703 -19.689 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.314 2.096 -19.093 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.703 2.938 -18.364 1.00 0.00 H new ATOM 1845 N THR A 113 7.901 -1.033 -16.973 1.00 0.00 N ATOM 1846 CA THR A 113 8.090 -2.470 -16.989 1.00 0.00 C ATOM 1847 C THR A 113 6.746 -3.102 -17.413 1.00 0.00 C ATOM 1848 O THR A 113 5.716 -2.414 -17.387 1.00 0.00 O ATOM 1849 CB THR A 113 8.541 -2.934 -15.558 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.576 -2.053 -15.079 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.083 -4.371 -15.535 1.00 0.00 C ATOM 0 H THR A 113 7.310 -0.700 -16.212 1.00 0.00 H new ATOM 0 HA THR A 113 8.863 -2.781 -17.691 1.00 0.00 H new ATOM 0 HB THR A 113 7.657 -2.902 -14.922 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.970 -2.425 -14.263 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.378 -4.632 -14.519 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.308 -5.058 -15.876 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.948 -4.444 -16.194 1.00 0.00 H new ATOM 1859 N GLY A 114 6.737 -4.384 -17.807 1.00 0.00 N ATOM 1860 CA GLY A 114 5.487 -5.086 -18.077 1.00 0.00 C ATOM 1861 C GLY A 114 5.631 -6.596 -17.929 1.00 0.00 C ATOM 1862 O GLY A 114 6.584 -7.183 -18.436 1.00 0.00 O ATOM 0 H GLY A 114 7.577 -4.946 -17.943 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.716 -4.728 -17.395 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.152 -4.852 -19.087 1.00 0.00 H new ATOM 1866 N PHE A 115 4.679 -7.211 -17.224 1.00 0.00 N ATOM 1867 CA PHE A 115 4.687 -8.643 -16.889 1.00 0.00 C ATOM 1868 C PHE A 115 3.430 -9.307 -17.478 1.00 0.00 C ATOM 1869 O PHE A 115 2.442 -8.609 -17.753 1.00 0.00 O ATOM 1870 CB PHE A 115 4.677 -8.813 -15.339 1.00 0.00 C ATOM 1871 CG PHE A 115 5.738 -8.012 -14.569 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.518 -6.669 -14.229 1.00 0.00 C ATOM 1873 CD2 PHE A 115 6.935 -8.595 -14.173 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.459 -5.954 -13.517 1.00 0.00 C ATOM 1875 CE2 PHE A 115 7.872 -7.879 -13.464 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.639 -6.561 -13.137 1.00 0.00 C ATOM 0 H PHE A 115 3.862 -6.720 -16.861 1.00 0.00 H new ATOM 0 HA PHE A 115 5.581 -9.110 -17.303 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.693 -8.526 -14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.809 -9.870 -15.108 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.599 -6.188 -14.529 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.133 -9.626 -14.425 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.273 -4.922 -13.258 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.795 -8.352 -13.162 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.380 -6.003 -12.583 1.00 0.00 H new ATOM 1886 N SER A 116 3.457 -10.654 -17.641 1.00 0.00 N ATOM 1887 CA SER A 116 2.210 -11.407 -17.873 1.00 0.00 C ATOM 1888 C SER A 116 2.404 -12.923 -17.666 1.00 0.00 C ATOM 1889 O SER A 116 3.527 -13.434 -17.482 1.00 0.00 O ATOM 1890 CB SER A 116 1.720 -11.162 -19.333 1.00 0.00 C ATOM 1891 OG SER A 116 0.425 -11.711 -19.571 1.00 0.00 O ATOM 0 H SER A 116 4.304 -11.222 -17.616 1.00 0.00 H new ATOM 0 HA SER A 116 1.474 -11.054 -17.151 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.700 -10.090 -19.532 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.432 -11.602 -20.031 1.00 0.00 H new ATOM 0 HG SER A 116 -0.188 -11.423 -18.862 1.00 0.00 H new ATOM 1897 N LYS A 117 1.261 -13.628 -17.757 1.00 0.00 N ATOM 1898 CA LYS A 117 1.176 -15.090 -17.807 1.00 0.00 C ATOM 1899 C LYS A 117 1.321 -15.591 -19.252 1.00 0.00 C ATOM 1900 O LYS A 117 1.420 -16.799 -19.492 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.192 -15.550 -17.228 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.376 -15.292 -15.712 1.00 0.00 C ATOM 1903 CD LYS A 117 0.600 -16.112 -14.838 1.00 0.00 C ATOM 1904 CE LYS A 117 0.454 -17.629 -15.045 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.426 -18.395 -14.225 1.00 0.00 N ATOM 0 H LYS A 117 0.347 -13.178 -17.799 1.00 0.00 H new ATOM 0 HA LYS A 117 1.987 -15.509 -17.211 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.989 -15.040 -17.768 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.311 -16.617 -17.418 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.233 -14.231 -15.509 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.400 -15.535 -15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.623 -15.815 -15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.427 -15.875 -13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.560 -17.935 -14.787 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.600 -17.868 -16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.295 -19.413 -14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.394 -18.122 -14.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.270 -18.187 -13.218 1.00 0.00 H new ATOM 1919 N THR A 118 1.340 -14.649 -20.207 1.00 0.00 N ATOM 1920 CA THR A 118 1.348 -14.943 -21.638 1.00 0.00 C ATOM 1921 C THR A 118 2.539 -14.226 -22.282 1.00 0.00 C ATOM 1922 O THR A 118 2.897 -13.120 -21.857 1.00 0.00 O ATOM 1923 CB THR A 118 -0.001 -14.487 -22.307 1.00 0.00 C ATOM 1924 OG1 THR A 118 -1.015 -14.290 -21.305 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.522 -15.516 -23.328 1.00 0.00 C ATOM 0 H THR A 118 1.350 -13.651 -19.999 1.00 0.00 H new ATOM 0 HA THR A 118 1.444 -16.018 -21.788 1.00 0.00 H new ATOM 0 HB THR A 118 0.210 -13.553 -22.829 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.446 -13.421 -21.442 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.455 -15.157 -23.763 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.218 -15.652 -24.117 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.698 -16.468 -22.828 1.00 0.00 H new ATOM 1933 N THR A 119 3.141 -14.868 -23.293 1.00 0.00 N ATOM 1934 CA THR A 119 4.356 -14.367 -23.955 1.00 0.00 C ATOM 1935 C THR A 119 4.071 -13.122 -24.818 1.00 0.00 C ATOM 1936 O THR A 119 2.950 -12.948 -25.332 1.00 0.00 O ATOM 1937 CB THR A 119 5.039 -15.491 -24.801 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.317 -15.043 -25.278 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.175 -15.963 -25.988 1.00 0.00 C ATOM 0 H THR A 119 2.800 -15.750 -23.676 1.00 0.00 H new ATOM 0 HA THR A 119 5.048 -14.064 -23.170 1.00 0.00 H new ATOM 0 HB THR A 119 5.165 -16.347 -24.138 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.737 -15.754 -25.805 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.704 -16.743 -26.536 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.230 -16.358 -25.616 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.980 -15.122 -26.653 1.00 0.00 H new ATOM 1947 N PHE A 120 5.092 -12.253 -24.956 1.00 0.00 N ATOM 1948 CA PHE A 120 5.009 -11.019 -25.750 1.00 0.00 C ATOM 1949 C PHE A 120 6.419 -10.564 -26.201 1.00 0.00 C ATOM 1950 O PHE A 120 7.318 -10.449 -25.352 1.00 0.00 O ATOM 1951 CB PHE A 120 4.260 -9.897 -24.979 1.00 0.00 C ATOM 1952 CG PHE A 120 4.828 -9.496 -23.612 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.610 -10.289 -22.485 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.573 -8.326 -23.454 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.111 -9.929 -21.258 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.072 -7.971 -22.222 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.846 -8.772 -21.127 1.00 0.00 C ATOM 1958 OXT PHE A 120 6.616 -10.313 -27.408 1.00 0.00 O ATOM 0 H PHE A 120 6.001 -12.392 -24.515 1.00 0.00 H new ATOM 0 HA PHE A 120 4.426 -11.231 -26.646 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.237 -9.009 -25.610 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.227 -10.214 -24.837 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.038 -11.200 -22.579 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.760 -7.692 -24.308 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.929 -10.553 -20.396 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.643 -7.061 -22.114 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.246 -8.493 -20.163 1.00 0.00 H new TER 1968 PHE A 120