USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 874 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 7 ASN : amide:sc= -2.4 K(o=-3.1,f=-9.4!) USER MOD Set 1.2: A 113 THR OG1 : rot -32:sc= -0.674! USER MOD Set 2.1: A 86 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.16) USER MOD Set 2.2: A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 154:sc= 1.72 (180deg=0.0876) USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= 0.0929 USER MOD Single : A 2 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -4.71! K(o=-4.7!,f=-0.68) USER MOD Single : A 9 GLN : amide:sc= 0.704 K(o=0.7,f=-0.35) USER MOD Single : A 10 LYS NZ :NH3+ 135:sc= 1.08 (180deg=-0.809) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -115:sc= 0.487 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 34 MET CE :methyl -161:sc= -2.91! (180deg=-4.13!) USER MOD Single : A 36 SER OG : rot 13:sc= -1.21! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 78:sc= 0.125 USER MOD Single : A 42 THR OG1 : rot -156:sc= 1.22 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -80:sc= -1.55 USER MOD Single : A 49 GLN : amide:sc= -3.95! K(o=-3.9!,f=-0.0011) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.828 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.07) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -5.16! C(o=-5.2!,f=-13!) USER MOD Single : A 62 SER OG : rot 170:sc= -0.686 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0235 USER MOD Single : A 66 SER OG : rot 79:sc= 0.68 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= 1.16 (180deg=0.0871) USER MOD Single : A 87 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.32) USER MOD Single : A 89 GLN : amide:sc= -5.03! C(o=-5!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.48) USER MOD Single : A 95 THR OG1 : rot 110:sc= 1.25 USER MOD Single : A 96 SER OG : rot -33:sc= 0.638 USER MOD Single : A 98 MET CE :methyl 145:sc= -2.09 (180deg=-4.8!) USER MOD Single : A 103 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-3!) USER MOD Single : A 105 THR OG1 : rot 33:sc= 0.15 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 115:sc= 1.26 USER MOD Single : A 114 ASN : amide:sc= 0.0288 X(o=0.029,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -0.261 5.556 7.887 1.00 0.00 N ATOM 19 CA ASN A 2 -1.347 6.089 7.073 1.00 0.00 C ATOM 20 C ASN A 2 -1.147 7.524 6.637 1.00 0.00 C ATOM 21 O ASN A 2 -1.353 7.825 5.477 1.00 0.00 O ATOM 22 CB ASN A 2 -2.698 5.982 7.795 1.00 0.00 C ATOM 23 CG ASN A 2 -2.797 6.791 9.094 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.814 6.975 9.808 1.00 0.00 O ATOM 25 ND2 ASN A 2 -3.975 7.280 9.399 1.00 0.00 N ATOM 0 HA ASN A 2 -1.344 5.468 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.484 6.313 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.892 4.933 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.094 7.830 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.772 7.110 8.786 1.00 0.00 H new ATOM 32 N THR A 3 -0.798 8.386 7.585 1.00 0.00 N ATOM 33 CA THR A 3 -0.674 9.831 7.495 1.00 0.00 C ATOM 34 C THR A 3 -2.029 10.539 7.316 1.00 0.00 C ATOM 35 O THR A 3 -2.857 10.236 6.411 1.00 0.00 O ATOM 36 CB THR A 3 0.459 10.397 6.572 1.00 0.00 C ATOM 37 OG1 THR A 3 0.673 11.790 6.855 1.00 0.00 O ATOM 38 CG2 THR A 3 0.134 10.267 5.106 1.00 0.00 C ATOM 0 H THR A 3 -0.574 8.056 8.524 1.00 0.00 H new ATOM 0 HA THR A 3 -0.301 10.097 8.484 1.00 0.00 H new ATOM 0 HB THR A 3 1.351 9.808 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.384 12.136 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.953 10.675 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.006 9.215 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.781 10.817 4.886 1.00 0.00 H new ATOM 46 N ASP A 4 -2.256 11.459 8.220 1.00 0.00 N ATOM 47 CA ASP A 4 -3.450 12.283 8.281 1.00 0.00 C ATOM 48 C ASP A 4 -3.404 13.349 7.225 1.00 0.00 C ATOM 49 O ASP A 4 -3.007 14.487 7.475 1.00 0.00 O ATOM 50 CB ASP A 4 -3.656 12.935 9.646 1.00 0.00 C ATOM 51 CG ASP A 4 -3.708 11.959 10.787 1.00 0.00 C ATOM 52 OD1 ASP A 4 -4.698 11.224 10.921 1.00 0.00 O ATOM 53 OD2 ASP A 4 -2.754 11.942 11.594 1.00 0.00 O ATOM 0 H ASP A 4 -1.591 11.667 8.965 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.293 11.614 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.848 13.644 9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.584 13.507 9.628 1.00 0.00 H new ATOM 58 N VAL A 5 -3.778 12.960 6.033 1.00 0.00 N ATOM 59 CA VAL A 5 -3.792 13.803 4.876 1.00 0.00 C ATOM 60 C VAL A 5 -4.312 12.974 3.722 1.00 0.00 C ATOM 61 O VAL A 5 -4.964 13.463 2.817 1.00 0.00 O ATOM 62 CB VAL A 5 -2.396 14.376 4.546 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.431 13.316 4.038 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.501 15.561 3.616 1.00 0.00 C ATOM 0 H VAL A 5 -4.093 12.009 5.840 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.433 14.664 5.065 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.966 14.736 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.466 13.776 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.304 12.545 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.830 12.866 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.503 15.944 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.980 15.253 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.096 16.343 4.089 1.00 0.00 H new ATOM 74 N LEU A 6 -4.060 11.677 3.784 1.00 0.00 N ATOM 75 CA LEU A 6 -4.525 10.829 2.734 1.00 0.00 C ATOM 76 C LEU A 6 -5.579 9.864 3.204 1.00 0.00 C ATOM 77 O LEU A 6 -6.624 9.779 2.620 1.00 0.00 O ATOM 78 CB LEU A 6 -3.353 10.131 2.008 1.00 0.00 C ATOM 79 CG LEU A 6 -2.498 9.112 2.789 1.00 0.00 C ATOM 80 CD1 LEU A 6 -3.148 7.749 2.889 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.125 8.997 2.186 1.00 0.00 C ATOM 0 H LEU A 6 -3.549 11.211 4.534 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.014 11.466 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.762 9.620 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.684 10.908 1.637 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.412 9.495 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.499 7.076 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.106 7.839 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.309 7.348 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.538 8.273 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.209 8.666 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.631 9.968 2.218 1.00 0.00 H new ATOM 93 N ASN A 7 -5.332 9.174 4.283 1.00 0.00 N ATOM 94 CA ASN A 7 -6.192 8.083 4.647 1.00 0.00 C ATOM 95 C ASN A 7 -7.479 8.500 5.229 1.00 0.00 C ATOM 96 O ASN A 7 -8.486 8.098 4.786 1.00 0.00 O ATOM 97 CB ASN A 7 -5.476 7.117 5.534 1.00 0.00 C ATOM 98 CG ASN A 7 -5.801 5.697 5.076 1.00 0.00 C ATOM 99 OD1 ASN A 7 -6.758 5.074 5.522 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.024 5.192 4.145 1.00 0.00 N ATOM 0 H ASN A 7 -4.553 9.344 4.918 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.451 7.581 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.401 7.291 5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.781 7.259 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.210 4.260 3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.234 5.732 3.792 1.00 0.00 H new ATOM 107 N GLN A 8 -7.461 9.389 6.137 1.00 0.00 N ATOM 108 CA GLN A 8 -8.693 9.824 6.701 1.00 0.00 C ATOM 109 C GLN A 8 -9.298 10.944 5.878 1.00 0.00 C ATOM 110 O GLN A 8 -10.494 11.060 5.777 1.00 0.00 O ATOM 111 CB GLN A 8 -8.555 10.101 8.214 1.00 0.00 C ATOM 112 CG GLN A 8 -7.238 10.744 8.660 1.00 0.00 C ATOM 113 CD GLN A 8 -7.027 12.138 8.111 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.423 13.119 8.711 1.00 0.00 O ATOM 115 NE2 GLN A 8 -6.398 12.242 6.956 1.00 0.00 N ATOM 0 H GLN A 8 -6.622 9.833 6.511 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.425 9.018 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.376 10.749 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.676 9.159 8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.214 10.784 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.409 10.110 8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.076 11.403 6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.234 13.161 6.546 1.00 0.00 H new ATOM 124 N GLN A 9 -8.461 11.622 5.110 1.00 0.00 N ATOM 125 CA GLN A 9 -8.914 12.791 4.403 1.00 0.00 C ATOM 126 C GLN A 9 -9.326 12.374 3.004 1.00 0.00 C ATOM 127 O GLN A 9 -10.478 12.492 2.605 1.00 0.00 O ATOM 128 CB GLN A 9 -7.758 13.793 4.311 1.00 0.00 C ATOM 129 CG GLN A 9 -8.138 15.262 4.203 1.00 0.00 C ATOM 130 CD GLN A 9 -9.108 15.565 3.084 1.00 0.00 C ATOM 131 OE1 GLN A 9 -10.315 15.556 3.290 1.00 0.00 O ATOM 132 NE2 GLN A 9 -8.601 15.800 1.899 1.00 0.00 N ATOM 0 H GLN A 9 -7.480 11.382 4.966 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.756 13.249 4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.128 13.668 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.150 13.534 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.577 15.584 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.233 15.851 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.589 15.799 1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.218 15.984 1.108 1.00 0.00 H new ATOM 141 N LYS A 10 -8.371 11.823 2.291 1.00 0.00 N ATOM 142 CA LYS A 10 -8.566 11.448 0.923 1.00 0.00 C ATOM 143 C LYS A 10 -9.252 10.140 0.727 1.00 0.00 C ATOM 144 O LYS A 10 -9.666 9.838 -0.370 1.00 0.00 O ATOM 145 CB LYS A 10 -7.315 11.584 0.097 1.00 0.00 C ATOM 146 CG LYS A 10 -7.052 13.041 -0.212 1.00 0.00 C ATOM 147 CD LYS A 10 -5.912 13.249 -1.166 1.00 0.00 C ATOM 148 CE LYS A 10 -4.570 12.967 -0.537 1.00 0.00 C ATOM 149 NZ LYS A 10 -3.477 13.526 -1.369 1.00 0.00 N ATOM 0 H LYS A 10 -7.437 11.625 2.651 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.274 12.182 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.467 11.159 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.419 11.021 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.954 13.485 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.840 13.570 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.046 12.602 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.930 14.276 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.532 13.401 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.434 11.892 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.793 14.017 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.997 12.755 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.873 14.198 -2.056 1.00 0.00 H new ATOM 163 N ILE A 11 -9.418 9.365 1.763 1.00 0.00 N ATOM 164 CA ILE A 11 -10.255 8.218 1.547 1.00 0.00 C ATOM 165 C ILE A 11 -11.670 8.589 1.880 1.00 0.00 C ATOM 166 O ILE A 11 -12.611 8.003 1.354 1.00 0.00 O ATOM 167 CB ILE A 11 -9.785 6.954 2.266 1.00 0.00 C ATOM 168 CG1 ILE A 11 -10.049 5.756 1.406 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.591 6.736 3.557 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.344 4.544 1.904 1.00 0.00 C ATOM 0 H ILE A 11 -9.021 9.488 2.695 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.189 7.945 0.494 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.723 7.074 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.121 5.563 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.731 5.966 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.242 5.831 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.455 7.591 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.648 6.631 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.564 3.700 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.269 4.726 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.681 4.317 2.915 1.00 0.00 H new ATOM 182 N GLU A 12 -11.814 9.578 2.745 1.00 0.00 N ATOM 183 CA GLU A 12 -13.106 10.139 2.987 1.00 0.00 C ATOM 184 C GLU A 12 -13.688 10.602 1.654 1.00 0.00 C ATOM 185 O GLU A 12 -14.789 10.217 1.270 1.00 0.00 O ATOM 186 CB GLU A 12 -12.946 11.304 3.948 1.00 0.00 C ATOM 187 CG GLU A 12 -13.460 11.021 5.336 1.00 0.00 C ATOM 188 CD GLU A 12 -14.952 10.784 5.353 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.719 11.761 5.473 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.395 9.623 5.263 1.00 0.00 O ATOM 0 H GLU A 12 -11.053 9.997 3.280 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.783 9.408 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.891 11.571 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.471 12.170 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.950 10.146 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.219 11.860 5.989 1.00 0.00 H new ATOM 197 N GLU A 13 -12.868 11.345 0.928 1.00 0.00 N ATOM 198 CA GLU A 13 -13.269 11.925 -0.342 1.00 0.00 C ATOM 199 C GLU A 13 -13.168 10.985 -1.538 1.00 0.00 C ATOM 200 O GLU A 13 -14.094 10.921 -2.340 1.00 0.00 O ATOM 201 CB GLU A 13 -12.566 13.239 -0.624 1.00 0.00 C ATOM 202 CG GLU A 13 -11.075 13.237 -0.399 1.00 0.00 C ATOM 203 CD GLU A 13 -10.452 14.592 -0.685 1.00 0.00 C ATOM 204 OE1 GLU A 13 -10.681 15.542 0.094 1.00 0.00 O ATOM 205 OE2 GLU A 13 -9.736 14.740 -1.700 1.00 0.00 O ATOM 0 H GLU A 13 -11.910 11.562 1.202 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.333 12.122 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.760 13.520 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.010 14.011 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.865 12.952 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.613 12.484 -1.038 1.00 0.00 H new ATOM 212 N LEU A 14 -12.077 10.251 -1.673 1.00 0.00 N ATOM 213 CA LEU A 14 -11.916 9.395 -2.846 1.00 0.00 C ATOM 214 C LEU A 14 -12.657 8.096 -2.711 1.00 0.00 C ATOM 215 O LEU A 14 -13.200 7.611 -3.696 1.00 0.00 O ATOM 216 CB LEU A 14 -10.454 9.138 -3.246 1.00 0.00 C ATOM 217 CG LEU A 14 -9.733 10.216 -4.079 1.00 0.00 C ATOM 218 CD1 LEU A 14 -10.437 10.444 -5.409 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.587 11.518 -3.317 1.00 0.00 C ATOM 0 H LEU A 14 -11.305 10.226 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.362 9.968 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.880 8.982 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.420 8.204 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.729 9.843 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.906 11.209 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.449 9.515 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.461 10.771 -5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.074 12.249 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.574 11.897 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.008 11.346 -2.410 1.00 0.00 H new ATOM 231 N SER A 15 -12.585 7.457 -1.545 1.00 0.00 N ATOM 232 CA SER A 15 -13.405 6.307 -1.358 1.00 0.00 C ATOM 233 C SER A 15 -14.844 6.772 -1.381 1.00 0.00 C ATOM 234 O SER A 15 -15.468 6.632 -2.402 1.00 0.00 O ATOM 235 CB SER A 15 -13.065 5.500 -0.098 1.00 0.00 C ATOM 236 OG SER A 15 -13.870 4.336 0.020 1.00 0.00 O ATOM 0 H SER A 15 -11.989 7.716 -0.759 1.00 0.00 H new ATOM 0 HA SER A 15 -13.220 5.601 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.014 5.213 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.203 6.127 0.783 1.00 0.00 H new ATOM 0 HG SER A 15 -13.623 3.848 0.833 1.00 0.00 H new ATOM 242 N ALA A 16 -15.362 7.341 -0.286 1.00 0.00 N ATOM 243 CA ALA A 16 -16.751 7.816 -0.273 1.00 0.00 C ATOM 244 C ALA A 16 -17.722 6.807 -0.941 1.00 0.00 C ATOM 245 O ALA A 16 -17.640 5.628 -0.701 1.00 0.00 O ATOM 246 CB ALA A 16 -16.817 9.194 -0.946 1.00 0.00 C ATOM 0 H ALA A 16 -14.853 7.482 0.586 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.078 7.906 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.846 9.553 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.185 9.895 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.467 9.113 -1.975 1.00 0.00 H new ATOM 252 N GLU A 17 -18.539 7.301 -1.846 1.00 0.00 N ATOM 253 CA GLU A 17 -19.518 6.535 -2.624 1.00 0.00 C ATOM 254 C GLU A 17 -18.854 5.968 -3.891 1.00 0.00 C ATOM 255 O GLU A 17 -19.520 5.493 -4.815 1.00 0.00 O ATOM 256 CB GLU A 17 -20.600 7.478 -3.096 1.00 0.00 C ATOM 257 CG GLU A 17 -21.852 6.799 -3.636 1.00 0.00 C ATOM 258 CD GLU A 17 -22.812 7.764 -4.274 1.00 0.00 C ATOM 259 OE1 GLU A 17 -22.621 8.104 -5.471 1.00 0.00 O ATOM 260 OE2 GLU A 17 -23.781 8.182 -3.612 1.00 0.00 O ATOM 0 H GLU A 17 -18.548 8.294 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.913 5.733 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.885 8.125 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.188 8.120 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.563 6.045 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.356 6.277 -2.822 1.00 0.00 H new ATOM 267 N ILE A 18 -17.559 5.968 -3.932 1.00 0.00 N ATOM 268 CA ILE A 18 -16.865 5.651 -5.157 1.00 0.00 C ATOM 269 C ILE A 18 -15.844 4.590 -5.003 1.00 0.00 C ATOM 270 O ILE A 18 -15.795 3.639 -5.806 1.00 0.00 O ATOM 271 CB ILE A 18 -16.374 6.906 -5.964 1.00 0.00 C ATOM 272 CG1 ILE A 18 -15.145 6.581 -6.822 1.00 0.00 C ATOM 273 CG2 ILE A 18 -16.121 8.114 -5.065 1.00 0.00 C ATOM 274 CD1 ILE A 18 -14.675 7.712 -7.716 1.00 0.00 C ATOM 0 H ILE A 18 -16.955 6.182 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.627 5.209 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 18 -17.186 7.179 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.326 6.293 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.373 5.716 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.783 8.955 -5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -17.043 8.385 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.355 7.866 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.802 7.389 -8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.474 7.988 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.410 8.574 -7.104 1.00 0.00 H new ATOM 286 N GLY A 19 -15.113 4.542 -3.952 1.00 0.00 N ATOM 287 CA GLY A 19 -14.128 3.612 -3.795 1.00 0.00 C ATOM 288 C GLY A 19 -14.688 2.645 -2.805 1.00 0.00 C ATOM 289 O GLY A 19 -14.188 1.603 -2.667 1.00 0.00 O ATOM 0 H GLY A 19 -15.210 5.184 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.890 3.122 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.207 4.066 -3.430 1.00 0.00 H new ATOM 293 N SER A 20 -15.812 2.965 -2.161 1.00 0.00 N ATOM 294 CA SER A 20 -16.392 2.064 -1.216 1.00 0.00 C ATOM 295 C SER A 20 -16.870 0.799 -1.932 1.00 0.00 C ATOM 296 O SER A 20 -17.008 -0.264 -1.336 1.00 0.00 O ATOM 297 CB SER A 20 -17.508 2.798 -0.569 1.00 0.00 C ATOM 298 OG SER A 20 -18.506 3.129 -1.534 1.00 0.00 O ATOM 0 H SER A 20 -16.321 3.840 -2.289 1.00 0.00 H new ATOM 0 HA SER A 20 -15.676 1.739 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.945 2.187 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.131 3.706 -0.099 1.00 0.00 H new ATOM 0 HG SER A 20 -18.559 4.103 -1.629 1.00 0.00 H new ATOM 304 N ASP A 21 -17.060 0.926 -3.237 1.00 0.00 N ATOM 305 CA ASP A 21 -17.351 -0.210 -4.078 1.00 0.00 C ATOM 306 C ASP A 21 -16.228 -0.550 -5.005 1.00 0.00 C ATOM 307 O ASP A 21 -16.284 -1.578 -5.674 1.00 0.00 O ATOM 308 CB ASP A 21 -18.626 -0.051 -4.885 1.00 0.00 C ATOM 309 CG ASP A 21 -19.866 -0.415 -4.109 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.253 -1.598 -4.137 1.00 0.00 O ATOM 311 OD2 ASP A 21 -20.469 0.461 -3.457 1.00 0.00 O ATOM 0 H ASP A 21 -17.016 1.816 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.490 -1.031 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.707 0.981 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.565 -0.676 -5.776 1.00 0.00 H new ATOM 316 N ASN A 22 -15.215 0.289 -5.115 1.00 0.00 N ATOM 317 CA ASN A 22 -14.073 -0.057 -5.948 1.00 0.00 C ATOM 318 C ASN A 22 -12.831 -0.451 -5.092 1.00 0.00 C ATOM 319 O ASN A 22 -12.243 -1.511 -5.279 1.00 0.00 O ATOM 320 CB ASN A 22 -13.767 1.102 -6.921 1.00 0.00 C ATOM 321 CG ASN A 22 -12.523 0.858 -7.783 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.195 -0.276 -8.126 1.00 0.00 O ATOM 323 ND2 ASN A 22 -11.818 1.917 -8.126 1.00 0.00 N ATOM 0 H ASN A 22 -15.156 1.195 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.325 -0.939 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.627 1.257 -7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.630 2.020 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.976 1.808 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.115 2.846 -7.827 1.00 0.00 H new ATOM 330 N VAL A 23 -12.489 0.378 -4.121 1.00 0.00 N ATOM 331 CA VAL A 23 -11.290 0.212 -3.296 1.00 0.00 C ATOM 332 C VAL A 23 -11.191 -1.074 -2.437 1.00 0.00 C ATOM 333 O VAL A 23 -10.163 -1.734 -2.534 1.00 0.00 O ATOM 334 CB VAL A 23 -10.830 1.496 -2.524 1.00 0.00 C ATOM 335 CG1 VAL A 23 -10.707 2.695 -3.450 1.00 0.00 C ATOM 336 CG2 VAL A 23 -11.618 1.833 -1.261 1.00 0.00 C ATOM 0 H VAL A 23 -13.040 1.200 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.547 0.046 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.839 1.237 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.386 3.565 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.973 2.481 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.674 2.900 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.213 2.739 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.665 1.992 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.539 1.009 -0.552 1.00 0.00 H new ATOM 346 N PRO A 24 -12.219 -1.506 -1.612 1.00 0.00 N ATOM 347 CA PRO A 24 -12.083 -2.732 -0.814 1.00 0.00 C ATOM 348 C PRO A 24 -11.992 -3.930 -1.733 1.00 0.00 C ATOM 349 O PRO A 24 -11.295 -4.896 -1.447 1.00 0.00 O ATOM 350 CB PRO A 24 -13.363 -2.790 0.028 1.00 0.00 C ATOM 351 CG PRO A 24 -14.340 -1.962 -0.716 1.00 0.00 C ATOM 352 CD PRO A 24 -13.540 -0.887 -1.394 1.00 0.00 C ATOM 0 HA PRO A 24 -11.187 -2.737 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.717 -3.815 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.195 -2.399 1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.884 -2.562 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.080 -1.531 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.998 -0.583 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.465 0.006 -0.773 1.00 0.00 H new ATOM 360 N VAL A 25 -12.696 -3.803 -2.855 1.00 0.00 N ATOM 361 CA VAL A 25 -12.662 -4.808 -3.888 1.00 0.00 C ATOM 362 C VAL A 25 -11.229 -5.080 -4.312 1.00 0.00 C ATOM 363 O VAL A 25 -10.753 -6.216 -4.256 1.00 0.00 O ATOM 364 CB VAL A 25 -13.519 -4.399 -5.104 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.451 -5.453 -6.208 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.954 -4.206 -4.660 1.00 0.00 C ATOM 0 H VAL A 25 -13.297 -3.005 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.088 -5.724 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.127 -3.466 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.065 -5.137 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.418 -5.571 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.822 -6.404 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.564 -3.917 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.334 -5.138 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.998 -3.424 -3.902 1.00 0.00 H new ATOM 376 N LEU A 26 -10.522 -4.027 -4.638 1.00 0.00 N ATOM 377 CA LEU A 26 -9.202 -4.043 -5.183 1.00 0.00 C ATOM 378 C LEU A 26 -8.159 -4.380 -4.104 1.00 0.00 C ATOM 379 O LEU A 26 -7.360 -5.300 -4.251 1.00 0.00 O ATOM 380 CB LEU A 26 -9.000 -2.616 -5.730 1.00 0.00 C ATOM 381 CG LEU A 26 -7.836 -2.339 -6.667 1.00 0.00 C ATOM 382 CD1 LEU A 26 -7.886 -3.324 -7.811 1.00 0.00 C ATOM 383 CD2 LEU A 26 -7.978 -0.931 -7.211 1.00 0.00 C ATOM 0 H LEU A 26 -10.882 -3.080 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.080 -4.803 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.915 -2.331 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.899 -1.948 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.889 -2.439 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.055 -3.135 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.812 -4.339 -7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.827 -3.210 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.149 -0.716 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.920 -0.844 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.967 -0.219 -6.386 1.00 0.00 H new ATOM 395 N LEU A 27 -8.135 -3.515 -3.119 1.00 0.00 N ATOM 396 CA LEU A 27 -7.180 -3.674 -2.038 1.00 0.00 C ATOM 397 C LEU A 27 -7.201 -5.130 -1.509 1.00 0.00 C ATOM 398 O LEU A 27 -6.183 -5.779 -1.465 1.00 0.00 O ATOM 399 CB LEU A 27 -7.425 -2.612 -0.938 1.00 0.00 C ATOM 400 CG LEU A 27 -8.553 -2.812 0.108 1.00 0.00 C ATOM 401 CD1 LEU A 27 -8.169 -3.760 1.246 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.039 -1.479 0.653 1.00 0.00 C ATOM 0 H LEU A 27 -8.752 -2.706 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.171 -3.498 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.491 -2.497 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.617 -1.665 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.373 -3.293 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.005 -3.853 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.927 -4.741 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.302 -3.363 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.829 -1.651 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.210 -0.957 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.427 -0.871 -0.165 1.00 0.00 H new ATOM 414 N ASP A 28 -8.376 -5.681 -1.244 1.00 0.00 N ATOM 415 CA ASP A 28 -8.459 -7.037 -0.705 1.00 0.00 C ATOM 416 C ASP A 28 -8.000 -8.122 -1.687 1.00 0.00 C ATOM 417 O ASP A 28 -7.401 -9.114 -1.271 1.00 0.00 O ATOM 418 CB ASP A 28 -9.850 -7.317 -0.160 1.00 0.00 C ATOM 419 CG ASP A 28 -10.081 -8.768 0.206 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.639 -9.204 1.295 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.718 -9.491 -0.587 1.00 0.00 O ATOM 0 H ASP A 28 -9.275 -5.221 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.749 -7.083 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.016 -6.698 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.589 -7.017 -0.903 1.00 0.00 H new ATOM 426 N ILE A 29 -8.211 -7.917 -2.982 1.00 0.00 N ATOM 427 CA ILE A 29 -7.802 -8.936 -3.946 1.00 0.00 C ATOM 428 C ILE A 29 -6.301 -8.872 -4.153 1.00 0.00 C ATOM 429 O ILE A 29 -5.607 -9.882 -4.119 1.00 0.00 O ATOM 430 CB ILE A 29 -8.510 -8.845 -5.340 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.313 -7.451 -5.950 1.00 0.00 C ATOM 432 CG2 ILE A 29 -9.979 -9.213 -5.227 1.00 0.00 C ATOM 433 CD1 ILE A 29 -8.766 -7.243 -7.370 1.00 0.00 C ATOM 0 H ILE A 29 -8.647 -7.086 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.109 -9.886 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.050 -9.568 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.837 -6.732 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.252 -7.207 -5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.448 -9.142 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.071 -10.233 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.474 -8.528 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.566 -6.214 -7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.225 -7.924 -8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.835 -7.440 -7.443 1.00 0.00 H new ATOM 445 N PHE A 30 -5.794 -7.673 -4.311 1.00 0.00 N ATOM 446 CA PHE A 30 -4.421 -7.468 -4.623 1.00 0.00 C ATOM 447 C PHE A 30 -3.535 -7.814 -3.473 1.00 0.00 C ATOM 448 O PHE A 30 -2.465 -8.321 -3.663 1.00 0.00 O ATOM 449 CB PHE A 30 -4.222 -6.059 -5.146 1.00 0.00 C ATOM 450 CG PHE A 30 -4.591 -5.869 -6.609 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.015 -6.934 -7.406 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.460 -4.627 -7.200 1.00 0.00 C ATOM 453 CE1 PHE A 30 -5.290 -6.752 -8.745 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.742 -4.438 -8.539 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.156 -5.502 -9.311 1.00 0.00 C ATOM 0 H PHE A 30 -6.336 -6.813 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.125 -8.151 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.818 -5.374 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.178 -5.779 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.129 -7.914 -6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.131 -3.788 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.610 -7.588 -9.350 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.638 -3.458 -8.980 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.375 -5.357 -10.358 1.00 0.00 H new ATOM 465 N LEU A 31 -4.061 -7.696 -2.299 1.00 0.00 N ATOM 466 CA LEU A 31 -3.365 -8.013 -1.114 1.00 0.00 C ATOM 467 C LEU A 31 -3.555 -9.482 -0.830 1.00 0.00 C ATOM 468 O LEU A 31 -2.633 -10.248 -0.987 1.00 0.00 O ATOM 469 CB LEU A 31 -3.858 -7.100 0.038 1.00 0.00 C ATOM 470 CG LEU A 31 -3.413 -5.615 0.073 1.00 0.00 C ATOM 471 CD1 LEU A 31 -3.368 -4.934 -1.284 1.00 0.00 C ATOM 472 CD2 LEU A 31 -4.326 -4.844 1.012 1.00 0.00 C ATOM 0 H LEU A 31 -5.014 -7.367 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.296 -7.830 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.948 -7.115 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.545 -7.558 0.976 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.383 -5.613 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.047 -3.900 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.665 -5.458 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.360 -4.955 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.019 -3.799 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.354 -4.910 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.261 -5.270 2.013 1.00 0.00 H new ATOM 484 N GLY A 32 -4.789 -9.887 -0.591 1.00 0.00 N ATOM 485 CA GLY A 32 -5.084 -11.241 -0.163 1.00 0.00 C ATOM 486 C GLY A 32 -4.788 -12.334 -1.182 1.00 0.00 C ATOM 487 O GLY A 32 -4.287 -13.398 -0.809 1.00 0.00 O ATOM 0 H GLY A 32 -5.610 -9.290 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.513 -11.449 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.139 -11.296 0.106 1.00 0.00 H new ATOM 491 N GLU A 33 -5.070 -12.094 -2.456 1.00 0.00 N ATOM 492 CA GLU A 33 -4.851 -13.104 -3.502 1.00 0.00 C ATOM 493 C GLU A 33 -3.380 -13.096 -3.923 1.00 0.00 C ATOM 494 O GLU A 33 -2.802 -14.120 -4.290 1.00 0.00 O ATOM 495 CB GLU A 33 -5.751 -12.832 -4.717 1.00 0.00 C ATOM 496 CG GLU A 33 -7.233 -12.662 -4.383 1.00 0.00 C ATOM 497 CD GLU A 33 -7.867 -13.900 -3.787 1.00 0.00 C ATOM 498 OE1 GLU A 33 -8.142 -14.861 -4.539 1.00 0.00 O ATOM 499 OE2 GLU A 33 -8.117 -13.933 -2.572 1.00 0.00 O ATOM 0 H GLU A 33 -5.451 -11.211 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.107 -14.085 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.399 -11.931 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.643 -13.654 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.346 -11.834 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.772 -12.389 -5.290 1.00 0.00 H new ATOM 506 N MET A 34 -2.815 -11.906 -3.885 1.00 0.00 N ATOM 507 CA MET A 34 -1.383 -11.895 -4.199 1.00 0.00 C ATOM 508 C MET A 34 -0.604 -12.629 -3.139 1.00 0.00 C ATOM 509 O MET A 34 0.270 -13.452 -3.429 1.00 0.00 O ATOM 510 CB MET A 34 -0.864 -10.537 -4.220 1.00 0.00 C ATOM 511 CG MET A 34 0.030 -10.210 -5.407 1.00 0.00 C ATOM 512 SD MET A 34 -0.837 -10.040 -7.013 1.00 0.00 S ATOM 513 CE MET A 34 -1.510 -11.674 -7.369 1.00 0.00 C ATOM 0 H MET A 34 -3.259 -11.014 -3.665 1.00 0.00 H new ATOM 0 HA MET A 34 -1.272 -12.369 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.704 -9.843 -4.215 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.302 -10.364 -3.302 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.559 -9.280 -5.198 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.784 -10.992 -5.500 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.741 -11.749 -8.432 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.777 -12.435 -7.102 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.420 -11.827 -6.789 1.00 0.00 H new ATOM 523 N ASP A 35 -1.014 -12.397 -1.926 1.00 0.00 N ATOM 524 CA ASP A 35 -0.458 -12.949 -0.710 1.00 0.00 C ATOM 525 C ASP A 35 -0.660 -14.433 -0.689 1.00 0.00 C ATOM 526 O ASP A 35 0.170 -15.186 -0.172 1.00 0.00 O ATOM 527 CB ASP A 35 -1.248 -12.343 0.425 1.00 0.00 C ATOM 528 CG ASP A 35 -0.938 -12.956 1.781 1.00 0.00 C ATOM 529 OD1 ASP A 35 0.099 -12.634 2.381 1.00 0.00 O ATOM 530 OD2 ASP A 35 -1.748 -13.788 2.268 1.00 0.00 O ATOM 0 H ASP A 35 -1.800 -11.774 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 35 0.608 -12.736 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.046 -11.273 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.312 -12.459 0.218 1.00 0.00 H new ATOM 535 N SER A 36 -1.733 -14.825 -1.363 1.00 0.00 N ATOM 536 CA SER A 36 -2.142 -16.209 -1.384 1.00 0.00 C ATOM 537 C SER A 36 -1.043 -16.987 -1.945 1.00 0.00 C ATOM 538 O SER A 36 -0.516 -17.962 -1.379 1.00 0.00 O ATOM 539 CB SER A 36 -3.243 -16.483 -2.379 1.00 0.00 C ATOM 540 OG SER A 36 -4.412 -15.727 -2.136 1.00 0.00 O ATOM 0 H SER A 36 -2.331 -14.198 -1.901 1.00 0.00 H new ATOM 0 HA SER A 36 -2.446 -16.450 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.879 -16.265 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.492 -17.544 -2.353 1.00 0.00 H new ATOM 0 HG SER A 36 -4.216 -15.021 -1.485 1.00 0.00 H new ATOM 546 N TYR A 37 -0.693 -16.467 -3.077 1.00 0.00 N ATOM 547 CA TYR A 37 0.190 -17.058 -3.911 1.00 0.00 C ATOM 548 C TYR A 37 1.511 -17.088 -3.407 1.00 0.00 C ATOM 549 O TYR A 37 2.074 -18.102 -3.399 1.00 0.00 O ATOM 550 CB TYR A 37 0.029 -16.612 -5.325 1.00 0.00 C ATOM 551 CG TYR A 37 -0.967 -17.530 -5.860 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.532 -18.751 -6.245 1.00 0.00 C ATOM 553 CD2 TYR A 37 -2.317 -17.254 -5.845 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.367 -19.725 -6.641 1.00 0.00 C ATOM 555 CE2 TYR A 37 -3.214 -18.226 -6.264 1.00 0.00 C ATOM 556 CZ TYR A 37 -2.733 -19.473 -6.662 1.00 0.00 C ATOM 557 OH TYR A 37 -3.615 -20.463 -7.057 1.00 0.00 O ATOM 0 H TYR A 37 -1.055 -15.578 -3.422 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.065 -18.117 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.307 -15.577 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.968 -16.674 -5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.529 -18.951 -6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.673 -16.291 -5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.983 -20.689 -6.939 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.274 -18.019 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.532 -20.121 -7.013 1.00 0.00 H new ATOM 567 N ILE A 38 1.949 -16.052 -2.822 1.00 0.00 N ATOM 568 CA ILE A 38 3.286 -15.968 -2.395 1.00 0.00 C ATOM 569 C ILE A 38 3.533 -16.760 -1.132 1.00 0.00 C ATOM 570 O ILE A 38 4.631 -17.209 -0.909 1.00 0.00 O ATOM 571 CB ILE A 38 3.722 -14.515 -2.387 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.155 -14.109 -3.819 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.814 -14.233 -1.360 1.00 0.00 C ATOM 574 CD1 ILE A 38 3.232 -14.457 -4.990 1.00 0.00 C ATOM 0 H ILE A 38 1.386 -15.226 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 38 3.948 -16.463 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 38 2.874 -13.903 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.306 -13.029 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.125 -14.567 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.087 -13.178 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.447 -14.476 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.690 -14.842 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.677 -14.106 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.096 -15.537 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.265 -13.976 -4.846 1.00 0.00 H new ATOM 586 N GLY A 39 2.493 -16.977 -0.360 1.00 0.00 N ATOM 587 CA GLY A 39 2.620 -17.906 0.749 1.00 0.00 C ATOM 588 C GLY A 39 2.989 -19.306 0.239 1.00 0.00 C ATOM 589 O GLY A 39 3.919 -19.952 0.737 1.00 0.00 O ATOM 0 H GLY A 39 1.577 -16.542 -0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.384 -17.552 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.682 -17.950 1.303 1.00 0.00 H new ATOM 593 N THR A 40 2.327 -19.711 -0.832 1.00 0.00 N ATOM 594 CA THR A 40 2.513 -21.009 -1.420 1.00 0.00 C ATOM 595 C THR A 40 3.781 -20.970 -2.265 1.00 0.00 C ATOM 596 O THR A 40 4.700 -21.759 -2.082 1.00 0.00 O ATOM 597 CB THR A 40 1.300 -21.336 -2.313 1.00 0.00 C ATOM 598 OG1 THR A 40 0.092 -21.084 -1.574 1.00 0.00 O ATOM 599 CG2 THR A 40 1.323 -22.792 -2.759 1.00 0.00 C ATOM 0 H THR A 40 1.639 -19.134 -1.317 1.00 0.00 H new ATOM 0 HA THR A 40 2.603 -21.773 -0.648 1.00 0.00 H new ATOM 0 HB THR A 40 1.342 -20.705 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.086 -20.120 -1.556 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.456 -22.994 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.234 -22.985 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.296 -23.441 -1.884 1.00 0.00 H new ATOM 607 N LEU A 41 3.840 -19.995 -3.148 1.00 0.00 N ATOM 608 CA LEU A 41 4.909 -19.725 -4.065 1.00 0.00 C ATOM 609 C LEU A 41 6.247 -19.413 -3.374 1.00 0.00 C ATOM 610 O LEU A 41 7.259 -19.547 -3.977 1.00 0.00 O ATOM 611 CB LEU A 41 4.464 -18.551 -4.923 1.00 0.00 C ATOM 612 CG LEU A 41 3.612 -18.810 -6.167 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.486 -19.146 -7.363 1.00 0.00 C ATOM 614 CD2 LEU A 41 2.612 -19.937 -5.967 1.00 0.00 C ATOM 0 H LEU A 41 3.079 -19.323 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 41 5.100 -20.618 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.906 -17.869 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.361 -18.023 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 41 3.061 -17.888 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.857 -19.326 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.159 -18.313 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.070 -20.040 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.035 -20.077 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.144 -20.858 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.939 -19.685 -5.148 1.00 0.00 H new ATOM 626 N THR A 42 6.238 -18.964 -2.129 1.00 0.00 N ATOM 627 CA THR A 42 7.533 -18.788 -1.445 1.00 0.00 C ATOM 628 C THR A 42 8.035 -20.109 -0.927 1.00 0.00 C ATOM 629 O THR A 42 9.224 -20.414 -0.963 1.00 0.00 O ATOM 630 CB THR A 42 7.540 -17.703 -0.333 1.00 0.00 C ATOM 631 OG1 THR A 42 8.896 -17.379 -0.015 1.00 0.00 O ATOM 632 CG2 THR A 42 6.846 -18.160 0.951 1.00 0.00 C ATOM 0 H THR A 42 5.408 -18.724 -1.587 1.00 0.00 H new ATOM 0 HA THR A 42 8.219 -18.409 -2.202 1.00 0.00 H new ATOM 0 HB THR A 42 6.993 -16.843 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.940 -17.009 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.884 -17.359 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.806 -18.406 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.353 -19.041 1.345 1.00 0.00 H new ATOM 640 N GLU A 43 7.095 -20.916 -0.535 1.00 0.00 N ATOM 641 CA GLU A 43 7.384 -22.274 -0.110 1.00 0.00 C ATOM 642 C GLU A 43 7.592 -23.168 -1.338 1.00 0.00 C ATOM 643 O GLU A 43 7.708 -24.393 -1.250 1.00 0.00 O ATOM 644 CB GLU A 43 6.302 -22.779 0.823 1.00 0.00 C ATOM 645 CG GLU A 43 6.180 -21.913 2.069 1.00 0.00 C ATOM 646 CD GLU A 43 7.450 -21.889 2.911 1.00 0.00 C ATOM 647 OE1 GLU A 43 7.656 -22.813 3.718 1.00 0.00 O ATOM 648 OE2 GLU A 43 8.248 -20.926 2.804 1.00 0.00 O ATOM 0 H GLU A 43 6.107 -20.664 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 43 8.312 -22.297 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.347 -22.796 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.523 -23.806 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.929 -20.895 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.354 -22.280 2.679 1.00 0.00 H new ATOM 655 N LEU A 44 7.609 -22.519 -2.492 1.00 0.00 N ATOM 656 CA LEU A 44 7.896 -23.099 -3.766 1.00 0.00 C ATOM 657 C LEU A 44 9.107 -22.438 -4.442 1.00 0.00 C ATOM 658 O LEU A 44 9.827 -23.097 -5.185 1.00 0.00 O ATOM 659 CB LEU A 44 6.653 -22.934 -4.636 1.00 0.00 C ATOM 660 CG LEU A 44 5.499 -23.881 -4.351 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.308 -23.505 -5.202 1.00 0.00 C ATOM 662 CD2 LEU A 44 5.916 -25.312 -4.617 1.00 0.00 C ATOM 0 H LEU A 44 7.410 -21.520 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 44 8.149 -24.151 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.292 -21.912 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.947 -23.057 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 44 5.219 -23.798 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.483 -24.186 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.003 -22.485 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.578 -23.572 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.080 -25.979 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.212 -25.417 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.756 -25.572 -3.973 1.00 0.00 H new ATOM 674 N GLN A 45 9.332 -21.147 -4.171 1.00 0.00 N ATOM 675 CA GLN A 45 10.351 -20.359 -4.871 1.00 0.00 C ATOM 676 C GLN A 45 10.471 -18.941 -4.316 1.00 0.00 C ATOM 677 O GLN A 45 9.888 -18.590 -3.308 1.00 0.00 O ATOM 678 CB GLN A 45 9.988 -20.291 -6.356 1.00 0.00 C ATOM 679 CG GLN A 45 8.727 -19.510 -6.653 1.00 0.00 C ATOM 680 CD GLN A 45 8.347 -19.536 -8.116 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.731 -18.653 -8.882 1.00 0.00 O ATOM 682 NE2 GLN A 45 7.617 -20.550 -8.527 1.00 0.00 N ATOM 0 H GLN A 45 8.816 -20.623 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 45 11.313 -20.850 -4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.818 -19.840 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.871 -21.306 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.906 -19.918 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.864 -18.476 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.316 -21.264 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.352 -20.622 -9.509 1.00 0.00 H new ATOM 691 N GLY A 46 11.214 -18.143 -5.051 1.00 0.00 N ATOM 692 CA GLY A 46 11.491 -16.752 -4.742 1.00 0.00 C ATOM 693 C GLY A 46 10.357 -15.835 -5.134 1.00 0.00 C ATOM 694 O GLY A 46 10.558 -14.729 -5.575 1.00 0.00 O ATOM 0 H GLY A 46 11.660 -18.454 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.682 -16.652 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.399 -16.442 -5.259 1.00 0.00 H new ATOM 698 N SER A 47 9.178 -16.361 -5.063 1.00 0.00 N ATOM 699 CA SER A 47 8.033 -15.616 -5.317 1.00 0.00 C ATOM 700 C SER A 47 7.872 -14.340 -4.484 1.00 0.00 C ATOM 701 O SER A 47 7.528 -13.366 -5.064 1.00 0.00 O ATOM 702 CB SER A 47 6.879 -16.507 -5.347 1.00 0.00 C ATOM 703 OG SER A 47 6.793 -17.125 -6.609 1.00 0.00 O ATOM 0 H SER A 47 9.002 -17.336 -4.822 1.00 0.00 H new ATOM 0 HA SER A 47 8.135 -15.174 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.969 -17.262 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.968 -15.945 -5.143 1.00 0.00 H new ATOM 0 HG SER A 47 6.383 -16.507 -7.249 1.00 0.00 H new ATOM 709 N GLU A 48 7.868 -14.376 -3.144 1.00 0.00 N ATOM 710 CA GLU A 48 7.946 -13.102 -2.318 1.00 0.00 C ATOM 711 C GLU A 48 8.649 -11.912 -3.079 1.00 0.00 C ATOM 712 O GLU A 48 8.167 -10.783 -3.076 1.00 0.00 O ATOM 713 CB GLU A 48 8.786 -13.348 -1.062 1.00 0.00 C ATOM 714 CG GLU A 48 8.172 -14.231 -0.004 1.00 0.00 C ATOM 715 CD GLU A 48 9.128 -14.446 1.162 1.00 0.00 C ATOM 716 OE1 GLU A 48 9.946 -13.545 1.459 1.00 0.00 O ATOM 717 OE2 GLU A 48 9.082 -15.531 1.793 1.00 0.00 O ATOM 0 H GLU A 48 7.814 -15.234 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 48 6.914 -12.834 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.734 -13.790 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.015 -12.383 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.249 -13.779 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.906 -15.194 -0.441 1.00 0.00 H new ATOM 724 N GLN A 49 9.788 -12.225 -3.698 1.00 0.00 N ATOM 725 CA GLN A 49 10.531 -11.276 -4.564 1.00 0.00 C ATOM 726 C GLN A 49 9.555 -10.553 -5.552 1.00 0.00 C ATOM 727 O GLN A 49 9.523 -9.327 -5.660 1.00 0.00 O ATOM 728 CB GLN A 49 11.612 -12.098 -5.316 1.00 0.00 C ATOM 729 CG GLN A 49 12.552 -11.347 -6.251 1.00 0.00 C ATOM 730 CD GLN A 49 12.230 -11.440 -7.745 1.00 0.00 C ATOM 731 OE1 GLN A 49 13.128 -11.351 -8.578 1.00 0.00 O ATOM 732 NE2 GLN A 49 10.989 -11.646 -8.115 1.00 0.00 N ATOM 0 H GLN A 49 10.231 -13.141 -3.620 1.00 0.00 H new ATOM 0 HA GLN A 49 11.005 -10.492 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.220 -12.612 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.104 -12.867 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.553 -10.295 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.564 -11.721 -6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.253 -11.718 -7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.760 -11.734 -9.105 1.00 0.00 H new ATOM 741 N LEU A 50 8.754 -11.363 -6.223 1.00 0.00 N ATOM 742 CA LEU A 50 7.745 -11.001 -7.162 1.00 0.00 C ATOM 743 C LEU A 50 6.676 -10.209 -6.449 1.00 0.00 C ATOM 744 O LEU A 50 6.326 -9.128 -6.891 1.00 0.00 O ATOM 745 CB LEU A 50 7.149 -12.309 -7.681 1.00 0.00 C ATOM 746 CG LEU A 50 6.253 -12.268 -8.888 1.00 0.00 C ATOM 747 CD1 LEU A 50 7.038 -11.991 -10.159 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.429 -13.541 -8.970 1.00 0.00 C ATOM 0 H LEU A 50 8.811 -12.374 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 50 8.147 -10.399 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.976 -12.982 -7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.584 -12.761 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 50 5.558 -11.435 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.357 -11.969 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.542 -11.029 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.779 -12.777 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.784 -13.501 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.094 -14.401 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.817 -13.636 -8.073 1.00 0.00 H new ATOM 760 N LEU A 51 6.248 -10.725 -5.283 1.00 0.00 N ATOM 761 CA LEU A 51 5.124 -10.198 -4.501 1.00 0.00 C ATOM 762 C LEU A 51 5.215 -8.697 -4.270 1.00 0.00 C ATOM 763 O LEU A 51 4.228 -8.032 -4.281 1.00 0.00 O ATOM 764 CB LEU A 51 5.057 -10.927 -3.151 1.00 0.00 C ATOM 765 CG LEU A 51 3.748 -10.883 -2.322 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.499 -9.551 -1.638 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.543 -11.278 -3.154 1.00 0.00 C ATOM 0 H LEU A 51 6.687 -11.539 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 51 4.217 -10.375 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.292 -11.975 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.854 -10.527 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 51 3.891 -11.619 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.565 -9.599 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.321 -9.333 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.432 -8.763 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.645 -11.235 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.440 -10.591 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.677 -12.293 -3.529 1.00 0.00 H new ATOM 779 N TYR A 52 6.401 -8.188 -4.239 1.00 0.00 N ATOM 780 CA TYR A 52 6.727 -6.813 -3.904 1.00 0.00 C ATOM 781 C TYR A 52 6.709 -5.920 -5.113 1.00 0.00 C ATOM 782 O TYR A 52 6.057 -4.892 -5.132 1.00 0.00 O ATOM 783 CB TYR A 52 8.129 -6.929 -3.431 1.00 0.00 C ATOM 784 CG TYR A 52 8.931 -5.658 -3.243 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.791 -4.851 -2.124 1.00 0.00 C ATOM 786 CD2 TYR A 52 9.880 -5.306 -4.193 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.572 -3.720 -1.962 1.00 0.00 C ATOM 788 CE2 TYR A 52 10.670 -4.194 -4.037 1.00 0.00 C ATOM 789 CZ TYR A 52 10.516 -3.403 -2.922 1.00 0.00 C ATOM 790 OH TYR A 52 11.319 -2.293 -2.757 1.00 0.00 O ATOM 0 H TYR A 52 7.229 -8.742 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 52 6.022 -6.384 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.116 -7.458 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.667 -7.560 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.063 -5.108 -1.369 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.999 -5.920 -5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.445 -3.090 -1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.407 -3.942 -4.785 1.00 0.00 H new ATOM 0 HH TYR A 52 11.928 -2.214 -3.520 1.00 0.00 H new ATOM 800 N LEU A 53 7.453 -6.393 -6.097 1.00 0.00 N ATOM 801 CA LEU A 53 7.557 -5.572 -7.312 1.00 0.00 C ATOM 802 C LEU A 53 6.170 -5.390 -7.872 1.00 0.00 C ATOM 803 O LEU A 53 5.790 -4.331 -8.371 1.00 0.00 O ATOM 804 CB LEU A 53 8.600 -6.138 -8.312 1.00 0.00 C ATOM 805 CG LEU A 53 8.357 -7.544 -8.900 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.417 -7.511 -10.099 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.668 -8.216 -9.265 1.00 0.00 C ATOM 0 H LEU A 53 7.965 -7.275 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 53 7.950 -4.583 -7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.678 -5.438 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.569 -6.149 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 53 7.871 -8.133 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.276 -8.523 -10.479 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.454 -7.100 -9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.847 -6.886 -10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.468 -9.205 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.192 -7.613 -10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.288 -8.313 -8.374 1.00 0.00 H new ATOM 819 N LYS A 54 5.414 -6.422 -7.694 1.00 0.00 N ATOM 820 CA LYS A 54 4.046 -6.393 -8.021 1.00 0.00 C ATOM 821 C LYS A 54 3.234 -5.600 -7.041 1.00 0.00 C ATOM 822 O LYS A 54 2.692 -4.653 -7.417 1.00 0.00 O ATOM 823 CB LYS A 54 3.489 -7.733 -8.003 1.00 0.00 C ATOM 824 CG LYS A 54 4.163 -8.706 -8.911 1.00 0.00 C ATOM 825 CD LYS A 54 3.856 -10.093 -8.444 1.00 0.00 C ATOM 826 CE LYS A 54 2.444 -10.278 -8.002 1.00 0.00 C ATOM 827 NZ LYS A 54 1.490 -10.244 -9.139 1.00 0.00 N ATOM 0 H LYS A 54 5.740 -7.311 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 54 3.994 -5.936 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.536 -8.117 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.435 -7.676 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.818 -8.568 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.240 -8.538 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.070 -10.794 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.522 -10.345 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.351 -11.230 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.183 -9.497 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.518 -10.172 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.696 -9.421 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.586 -11.115 -9.699 1.00 0.00 H new ATOM 841 N GLU A 55 3.329 -5.953 -5.773 1.00 0.00 N ATOM 842 CA GLU A 55 2.292 -5.388 -4.865 1.00 0.00 C ATOM 843 C GLU A 55 2.361 -3.877 -4.815 1.00 0.00 C ATOM 844 O GLU A 55 1.357 -3.179 -4.908 1.00 0.00 O ATOM 845 CB GLU A 55 2.256 -6.039 -3.460 1.00 0.00 C ATOM 846 CG GLU A 55 3.170 -5.452 -2.390 1.00 0.00 C ATOM 847 CD GLU A 55 2.440 -4.417 -1.542 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.716 -4.812 -0.602 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.578 -3.221 -1.823 1.00 0.00 O ATOM 0 H GLU A 55 4.031 -6.565 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 55 1.332 -5.654 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.231 -5.989 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.503 -7.095 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.543 -6.251 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.037 -4.991 -2.863 1.00 0.00 H new ATOM 856 N ILE A 56 3.563 -3.406 -4.772 1.00 0.00 N ATOM 857 CA ILE A 56 3.752 -1.987 -4.647 1.00 0.00 C ATOM 858 C ILE A 56 3.467 -1.252 -5.963 1.00 0.00 C ATOM 859 O ILE A 56 3.017 -0.111 -5.957 1.00 0.00 O ATOM 860 CB ILE A 56 5.138 -1.599 -4.102 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.221 -1.914 -5.131 1.00 0.00 C ATOM 862 CG2 ILE A 56 5.417 -2.285 -2.766 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.624 -1.800 -4.608 1.00 0.00 C ATOM 0 H ILE A 56 4.416 -3.963 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 56 3.020 -1.666 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 56 5.148 -0.524 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.067 -2.926 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.106 -1.240 -5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.403 -1.992 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.661 -1.987 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.386 -3.366 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.329 -2.040 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.801 -0.782 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.761 -2.495 -3.779 1.00 0.00 H new ATOM 875 N SER A 57 3.705 -1.904 -7.086 1.00 0.00 N ATOM 876 CA SER A 57 3.464 -1.267 -8.372 1.00 0.00 C ATOM 877 C SER A 57 2.051 -1.573 -8.857 1.00 0.00 C ATOM 878 O SER A 57 1.444 -0.806 -9.593 1.00 0.00 O ATOM 879 CB SER A 57 4.502 -1.737 -9.393 1.00 0.00 C ATOM 880 OG SER A 57 4.307 -1.148 -10.679 1.00 0.00 O ATOM 0 H SER A 57 4.059 -2.859 -7.137 1.00 0.00 H new ATOM 0 HA SER A 57 3.558 -0.187 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.500 -1.491 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.454 -2.822 -9.483 1.00 0.00 H new ATOM 0 HG SER A 57 4.993 -1.476 -11.297 1.00 0.00 H new ATOM 886 N HIS A 58 1.587 -2.722 -8.499 1.00 0.00 N ATOM 887 CA HIS A 58 0.284 -3.176 -8.842 1.00 0.00 C ATOM 888 C HIS A 58 -0.775 -2.641 -7.886 1.00 0.00 C ATOM 889 O HIS A 58 -1.573 -1.802 -8.302 1.00 0.00 O ATOM 890 CB HIS A 58 0.229 -4.702 -9.172 1.00 0.00 C ATOM 891 CG HIS A 58 -0.421 -5.632 -8.198 1.00 0.00 C ATOM 892 ND1 HIS A 58 0.022 -5.750 -6.921 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.464 -6.465 -8.384 1.00 0.00 C ATOM 894 CE1 HIS A 58 -0.742 -6.635 -6.348 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.659 -7.106 -7.190 1.00 0.00 N ATOM 0 H HIS A 58 2.120 -3.390 -7.943 1.00 0.00 H new ATOM 0 HA HIS A 58 0.013 -2.730 -9.799 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -0.285 -4.814 -10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.253 -5.044 -9.320 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.032 -6.600 -9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.644 -6.948 -5.319 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.370 -7.809 -6.985 1.00 0.00 H new ATOM 903 N ALA A 59 -0.781 -2.992 -6.602 1.00 0.00 N ATOM 904 CA ALA A 59 -1.794 -2.655 -5.621 1.00 0.00 C ATOM 905 C ALA A 59 -1.557 -1.286 -5.032 1.00 0.00 C ATOM 906 O ALA A 59 -2.399 -0.402 -5.169 1.00 0.00 O ATOM 907 CB ALA A 59 -1.770 -3.675 -4.496 1.00 0.00 C ATOM 0 H ALA A 59 -0.030 -3.554 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.761 -2.658 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.532 -3.421 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.972 -4.667 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.789 -3.670 -4.021 1.00 0.00 H new ATOM 913 N LEU A 60 -0.387 -1.076 -4.413 1.00 0.00 N ATOM 914 CA LEU A 60 -0.086 0.215 -3.772 1.00 0.00 C ATOM 915 C LEU A 60 0.098 1.324 -4.747 1.00 0.00 C ATOM 916 O LEU A 60 0.314 2.469 -4.387 1.00 0.00 O ATOM 917 CB LEU A 60 1.090 0.165 -2.820 1.00 0.00 C ATOM 918 CG LEU A 60 0.759 -0.153 -1.374 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.027 -1.441 -1.278 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.041 -0.220 -0.576 1.00 0.00 C ATOM 0 H LEU A 60 0.357 -1.770 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.977 0.426 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.796 -0.582 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.600 1.128 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 60 0.131 0.636 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.254 -1.651 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.956 -1.343 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.562 -2.259 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.810 -0.448 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.684 -1.000 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.555 0.740 -0.632 1.00 0.00 H new ATOM 932 N LYS A 61 0.069 1.003 -5.980 1.00 0.00 N ATOM 933 CA LYS A 61 0.136 1.999 -6.957 1.00 0.00 C ATOM 934 C LYS A 61 -1.241 2.196 -7.585 1.00 0.00 C ATOM 935 O LYS A 61 -1.536 3.249 -8.085 1.00 0.00 O ATOM 936 CB LYS A 61 1.240 1.633 -7.909 1.00 0.00 C ATOM 937 CG LYS A 61 1.671 2.700 -8.894 1.00 0.00 C ATOM 938 CD LYS A 61 2.070 4.010 -8.214 1.00 0.00 C ATOM 939 CE LYS A 61 3.063 3.827 -7.062 1.00 0.00 C ATOM 940 NZ LYS A 61 3.546 5.132 -6.525 1.00 0.00 N ATOM 0 H LYS A 61 -0.001 0.049 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 61 0.391 2.977 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.111 1.339 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.925 0.756 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.513 2.329 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.857 2.892 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.508 4.676 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.173 4.500 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.588 3.259 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.914 3.240 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.834 5.014 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.359 5.458 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.782 5.835 -6.582 1.00 0.00 H new ATOM 954 N SER A 62 -2.140 1.238 -7.415 1.00 0.00 N ATOM 955 CA SER A 62 -3.476 1.364 -7.961 1.00 0.00 C ATOM 956 C SER A 62 -4.392 1.971 -6.916 1.00 0.00 C ATOM 957 O SER A 62 -4.904 3.102 -7.048 1.00 0.00 O ATOM 958 CB SER A 62 -4.010 0.003 -8.429 1.00 0.00 C ATOM 959 OG SER A 62 -5.311 0.111 -8.977 1.00 0.00 O ATOM 0 H SER A 62 -1.967 0.371 -6.906 1.00 0.00 H new ATOM 0 HA SER A 62 -3.442 2.019 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.335 -0.416 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.026 -0.690 -7.588 1.00 0.00 H new ATOM 0 HG SER A 62 -5.555 -0.734 -9.409 1.00 0.00 H new ATOM 965 N SER A 63 -4.518 1.251 -5.837 1.00 0.00 N ATOM 966 CA SER A 63 -5.324 1.546 -4.737 1.00 0.00 C ATOM 967 C SER A 63 -4.801 2.799 -4.089 1.00 0.00 C ATOM 968 O SER A 63 -5.550 3.681 -3.769 1.00 0.00 O ATOM 969 CB SER A 63 -5.180 0.356 -3.808 1.00 0.00 C ATOM 970 OG SER A 63 -5.445 -0.847 -4.516 1.00 0.00 O ATOM 0 H SER A 63 -4.008 0.376 -5.717 1.00 0.00 H new ATOM 0 HA SER A 63 -6.369 1.713 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.173 0.329 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.869 0.453 -2.969 1.00 0.00 H new ATOM 0 HG SER A 63 -5.348 -1.611 -3.910 1.00 0.00 H new ATOM 976 N ALA A 64 -3.495 2.891 -3.954 1.00 0.00 N ATOM 977 CA ALA A 64 -2.944 4.059 -3.308 1.00 0.00 C ATOM 978 C ALA A 64 -2.926 5.266 -4.235 1.00 0.00 C ATOM 979 O ALA A 64 -2.912 6.351 -3.792 1.00 0.00 O ATOM 980 CB ALA A 64 -1.607 3.814 -2.649 1.00 0.00 C ATOM 0 H ALA A 64 -2.817 2.198 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.624 4.294 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.256 4.736 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.713 3.042 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.886 3.488 -3.399 1.00 0.00 H new ATOM 986 N ALA A 65 -3.000 5.082 -5.526 1.00 0.00 N ATOM 987 CA ALA A 65 -3.116 6.237 -6.429 1.00 0.00 C ATOM 988 C ALA A 65 -4.540 6.762 -6.372 1.00 0.00 C ATOM 989 O ALA A 65 -4.870 7.806 -6.944 1.00 0.00 O ATOM 990 CB ALA A 65 -2.767 5.885 -7.860 1.00 0.00 C ATOM 0 H ALA A 65 -2.984 4.172 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.407 6.996 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.868 6.771 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.740 5.523 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.442 5.108 -8.218 1.00 0.00 H new ATOM 996 N SER A 66 -5.387 5.999 -5.709 1.00 0.00 N ATOM 997 CA SER A 66 -6.752 6.367 -5.503 1.00 0.00 C ATOM 998 C SER A 66 -6.989 6.779 -4.038 1.00 0.00 C ATOM 999 O SER A 66 -7.446 7.881 -3.779 1.00 0.00 O ATOM 1000 CB SER A 66 -7.646 5.192 -5.899 1.00 0.00 C ATOM 1001 OG SER A 66 -7.322 4.748 -7.215 1.00 0.00 O ATOM 0 H SER A 66 -5.133 5.100 -5.299 1.00 0.00 H new ATOM 0 HA SER A 66 -6.998 7.228 -6.125 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.519 4.374 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.693 5.492 -5.856 1.00 0.00 H new ATOM 0 HG SER A 66 -6.513 4.195 -7.184 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.603 5.933 -3.076 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.977 6.231 -1.657 1.00 0.00 C ATOM 1009 C PHE A 67 -5.801 6.574 -0.754 1.00 0.00 C ATOM 1010 O PHE A 67 -5.895 6.602 0.472 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.827 5.137 -1.030 1.00 0.00 C ATOM 1012 CG PHE A 67 -7.220 3.760 -0.907 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -6.125 3.521 -0.094 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.783 2.703 -1.572 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -5.604 2.256 0.035 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -7.278 1.432 -1.442 1.00 0.00 C ATOM 1017 CZ PHE A 67 -6.186 1.207 -0.638 1.00 0.00 C ATOM 0 H PHE A 67 -6.063 5.080 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.582 7.135 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.115 5.467 -0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.743 5.049 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.674 4.340 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.638 2.872 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.741 2.086 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.738 0.611 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.786 0.209 -0.535 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.769 6.941 -1.386 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.561 7.236 -0.664 1.00 0.00 C ATOM 1029 C GLY A 68 -2.591 7.861 -1.570 1.00 0.00 C ATOM 1030 O GLY A 68 -1.372 7.684 -1.473 1.00 0.00 O ATOM 0 H GLY A 68 -4.711 7.051 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.777 7.903 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.144 6.322 -0.242 1.00 0.00 H new ATOM 1034 N ALA A 69 -3.203 8.696 -2.359 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.554 9.396 -3.466 1.00 0.00 C ATOM 1036 C ALA A 69 -1.612 10.482 -2.967 1.00 0.00 C ATOM 1037 O ALA A 69 -1.368 11.470 -3.643 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.631 10.007 -4.352 1.00 0.00 C ATOM 0 H ALA A 69 -4.192 8.925 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.956 8.681 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.163 10.533 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.275 9.217 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.228 10.708 -3.769 1.00 0.00 H new ATOM 1044 N ASP A 70 -1.083 10.299 -1.785 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.246 11.292 -1.209 1.00 0.00 C ATOM 1046 C ASP A 70 1.122 10.668 -0.929 1.00 0.00 C ATOM 1047 O ASP A 70 1.982 10.578 -1.832 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.881 11.916 0.026 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.457 13.334 0.185 1.00 0.00 C ATOM 1050 OD1 ASP A 70 0.717 13.598 0.391 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -1.317 14.200 0.026 1.00 0.00 O ATOM 0 H ASP A 70 -1.223 9.468 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.113 12.118 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.967 11.864 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.599 11.347 0.912 1.00 0.00 H new ATOM 1056 N ARG A 71 1.307 9.956 0.176 1.00 0.00 N ATOM 1057 CA ARG A 71 2.515 9.442 0.732 1.00 0.00 C ATOM 1058 C ARG A 71 2.697 7.978 0.518 1.00 0.00 C ATOM 1059 O ARG A 71 3.680 7.595 -0.052 1.00 0.00 O ATOM 1060 CB ARG A 71 2.557 9.743 2.232 1.00 0.00 C ATOM 1061 CG ARG A 71 3.372 10.959 2.617 1.00 0.00 C ATOM 1062 CD ARG A 71 2.866 12.260 2.027 1.00 0.00 C ATOM 1063 NE ARG A 71 3.803 13.346 2.312 1.00 0.00 N ATOM 1064 CZ ARG A 71 3.930 14.471 1.600 1.00 0.00 C ATOM 1065 NH1 ARG A 71 3.039 14.786 0.677 1.00 0.00 N ATOM 1066 NH2 ARG A 71 4.923 15.308 1.868 1.00 0.00 N ATOM 0 H ARG A 71 0.508 9.706 0.759 1.00 0.00 H new ATOM 0 HA ARG A 71 3.332 9.939 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.536 9.880 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.961 8.874 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.383 11.046 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.403 10.806 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.739 12.153 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.886 12.498 2.441 1.00 0.00 H new ATOM 0 HE ARG A 71 4.412 13.236 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.246 14.169 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.144 15.646 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.585 15.092 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.025 16.168 1.328 1.00 0.00 H new ATOM 1080 N LEU A 72 1.750 7.147 0.954 1.00 0.00 N ATOM 1081 CA LEU A 72 2.011 5.706 0.764 1.00 0.00 C ATOM 1082 C LEU A 72 2.135 5.408 -0.725 1.00 0.00 C ATOM 1083 O LEU A 72 2.819 4.491 -1.128 1.00 0.00 O ATOM 1084 CB LEU A 72 1.033 4.731 1.448 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.312 4.444 0.787 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.856 3.110 1.273 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.292 5.506 1.156 1.00 0.00 C ATOM 0 H LEU A 72 0.870 7.404 1.402 1.00 0.00 H new ATOM 0 HA LEU A 72 2.950 5.516 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.549 3.779 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.832 5.115 2.448 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.168 4.419 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.816 2.913 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.154 2.316 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.988 3.143 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.251 5.297 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.419 5.524 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.924 6.474 0.818 1.00 0.00 H new ATOM 1099 N CYS A 73 1.599 6.329 -1.506 1.00 0.00 N ATOM 1100 CA CYS A 73 1.648 6.198 -2.930 1.00 0.00 C ATOM 1101 C CYS A 73 3.093 6.273 -3.389 1.00 0.00 C ATOM 1102 O CYS A 73 3.678 5.271 -3.803 1.00 0.00 O ATOM 1103 CB CYS A 73 0.789 7.249 -3.642 1.00 0.00 C ATOM 1104 SG CYS A 73 0.763 7.105 -5.446 1.00 0.00 S ATOM 0 H CYS A 73 1.129 7.169 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 73 1.229 5.228 -3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.233 7.176 -3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.156 8.240 -3.375 1.00 0.00 H new ATOM 0 HG CYS A 73 0.008 8.038 -5.945 1.00 0.00 H new ATOM 1110 N GLU A 74 3.748 7.392 -3.195 1.00 0.00 N ATOM 1111 CA GLU A 74 5.074 7.482 -3.803 1.00 0.00 C ATOM 1112 C GLU A 74 6.141 7.407 -2.758 1.00 0.00 C ATOM 1113 O GLU A 74 7.232 6.850 -2.957 1.00 0.00 O ATOM 1114 CB GLU A 74 5.215 8.771 -4.595 1.00 0.00 C ATOM 1115 CG GLU A 74 6.447 8.794 -5.467 1.00 0.00 C ATOM 1116 CD GLU A 74 6.290 7.934 -6.707 1.00 0.00 C ATOM 1117 OE1 GLU A 74 5.875 6.756 -6.608 1.00 0.00 O ATOM 1118 OE2 GLU A 74 6.571 8.447 -7.809 1.00 0.00 O ATOM 0 H GLU A 74 3.427 8.202 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 74 5.190 6.638 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.332 8.906 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.249 9.614 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.660 9.821 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.304 8.444 -4.891 1.00 0.00 H new ATOM 1125 N ARG A 75 5.784 7.946 -1.643 1.00 0.00 N ATOM 1126 CA ARG A 75 6.678 8.093 -0.552 1.00 0.00 C ATOM 1127 C ARG A 75 6.835 6.715 0.115 1.00 0.00 C ATOM 1128 O ARG A 75 7.772 6.472 0.813 1.00 0.00 O ATOM 1129 CB ARG A 75 6.078 9.181 0.356 1.00 0.00 C ATOM 1130 CG ARG A 75 6.578 9.333 1.783 1.00 0.00 C ATOM 1131 CD ARG A 75 6.055 8.223 2.676 1.00 0.00 C ATOM 1132 NE ARG A 75 6.306 8.467 4.096 1.00 0.00 N ATOM 1133 CZ ARG A 75 5.975 7.626 5.082 1.00 0.00 C ATOM 1134 NH1 ARG A 75 5.583 6.389 4.796 1.00 0.00 N ATOM 1135 NH2 ARG A 75 6.096 7.998 6.349 1.00 0.00 N ATOM 0 H ARG A 75 4.845 8.302 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 75 7.682 8.412 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.224 10.139 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.003 9.008 0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.668 9.325 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.264 10.299 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.983 8.110 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.521 7.281 2.387 1.00 0.00 H new ATOM 0 HE ARG A 75 6.766 9.340 4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.535 6.081 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.331 5.747 5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.443 8.930 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.842 7.352 7.097 1.00 0.00 H new ATOM 1149 N ALA A 76 5.919 5.803 -0.084 1.00 0.00 N ATOM 1150 CA ALA A 76 6.197 4.508 0.463 1.00 0.00 C ATOM 1151 C ALA A 76 6.933 3.781 -0.609 1.00 0.00 C ATOM 1152 O ALA A 76 7.810 3.007 -0.352 1.00 0.00 O ATOM 1153 CB ALA A 76 4.932 3.786 0.864 1.00 0.00 C ATOM 0 H ALA A 76 5.037 5.918 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 76 6.785 4.576 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.185 2.808 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.403 4.370 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.293 3.658 -0.010 1.00 0.00 H new ATOM 1159 N ILE A 77 6.477 4.037 -1.817 1.00 0.00 N ATOM 1160 CA ILE A 77 7.240 3.343 -2.846 1.00 0.00 C ATOM 1161 C ILE A 77 8.771 3.640 -2.884 1.00 0.00 C ATOM 1162 O ILE A 77 9.582 2.800 -2.401 1.00 0.00 O ATOM 1163 CB ILE A 77 6.552 3.298 -4.221 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.152 2.671 -4.059 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.376 2.489 -5.228 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.054 1.690 -2.907 1.00 0.00 C ATOM 0 H ILE A 77 5.696 4.631 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 77 7.223 2.309 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 77 6.465 4.315 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.422 3.467 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.883 2.160 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.864 2.476 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.358 2.947 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.493 1.468 -4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.041 1.290 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.759 0.874 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.291 2.200 -1.973 1.00 0.00 H new ATOM 1178 N ALA A 78 9.214 4.766 -3.435 1.00 0.00 N ATOM 1179 CA ALA A 78 10.651 5.053 -3.354 1.00 0.00 C ATOM 1180 C ALA A 78 11.226 5.238 -1.964 1.00 0.00 C ATOM 1181 O ALA A 78 12.398 4.900 -1.731 1.00 0.00 O ATOM 1182 CB ALA A 78 10.991 6.249 -4.229 1.00 0.00 C ATOM 0 H ALA A 78 8.643 5.461 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 78 11.130 4.145 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.059 6.456 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.727 6.030 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.431 7.120 -3.888 1.00 0.00 H new ATOM 1188 N ILE A 79 10.412 5.644 -1.016 1.00 0.00 N ATOM 1189 CA ILE A 79 10.960 6.118 0.227 1.00 0.00 C ATOM 1190 C ILE A 79 11.025 5.043 1.323 1.00 0.00 C ATOM 1191 O ILE A 79 11.816 5.140 2.318 1.00 0.00 O ATOM 1192 CB ILE A 79 10.272 7.419 0.631 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.302 8.372 -0.574 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.911 8.046 1.846 1.00 0.00 C ATOM 1195 CD1 ILE A 79 9.824 9.785 -0.305 1.00 0.00 C ATOM 0 H ILE A 79 9.394 5.655 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 79 12.013 6.354 0.075 1.00 0.00 H new ATOM 0 HB ILE A 79 9.240 7.208 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 79 11.323 8.419 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.688 7.945 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.388 8.969 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.850 7.355 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.957 8.267 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.887 10.371 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.790 9.760 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.451 10.241 0.461 1.00 0.00 H new ATOM 1207 N ASP A 80 10.584 3.863 0.951 1.00 0.00 N ATOM 1208 CA ASP A 80 10.631 2.735 1.792 1.00 0.00 C ATOM 1209 C ASP A 80 11.786 1.968 1.469 1.00 0.00 C ATOM 1210 O ASP A 80 12.653 1.853 2.325 1.00 0.00 O ATOM 1211 CB ASP A 80 9.353 1.873 1.763 1.00 0.00 C ATOM 1212 CG ASP A 80 8.216 2.381 2.661 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.180 3.573 3.053 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.389 1.555 3.092 1.00 0.00 O ATOM 0 H ASP A 80 10.178 3.678 0.033 1.00 0.00 H new ATOM 0 HA ASP A 80 10.693 3.096 2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.991 1.819 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.609 0.857 2.064 1.00 0.00 H new ATOM 1219 N LYS A 81 11.852 1.533 0.209 1.00 0.00 N ATOM 1220 CA LYS A 81 12.963 0.723 -0.235 1.00 0.00 C ATOM 1221 C LYS A 81 14.257 1.308 0.241 1.00 0.00 C ATOM 1222 O LYS A 81 14.939 0.691 1.068 1.00 0.00 O ATOM 1223 CB LYS A 81 12.907 0.411 -1.736 1.00 0.00 C ATOM 1224 CG LYS A 81 12.549 1.586 -2.648 1.00 0.00 C ATOM 1225 CD LYS A 81 12.406 1.101 -4.085 1.00 0.00 C ATOM 1226 CE LYS A 81 11.945 2.199 -5.022 1.00 0.00 C ATOM 1227 NZ LYS A 81 11.904 1.744 -6.430 1.00 0.00 N ATOM 0 H LYS A 81 11.153 1.731 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 81 12.886 -0.260 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.877 0.020 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.178 -0.383 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.618 2.045 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.322 2.352 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.363 0.710 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.694 0.276 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.954 2.540 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.615 3.054 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.584 2.525 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.855 1.443 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.245 0.944 -6.517 1.00 0.00 H new ATOM 1241 N LYS A 82 14.534 2.483 -0.279 1.00 0.00 N ATOM 1242 CA LYS A 82 15.548 3.402 0.166 1.00 0.00 C ATOM 1243 C LYS A 82 16.050 3.134 1.590 1.00 0.00 C ATOM 1244 O LYS A 82 17.039 2.376 1.788 1.00 0.00 O ATOM 1245 CB LYS A 82 14.927 4.775 0.012 1.00 0.00 C ATOM 1246 CG LYS A 82 15.486 5.868 0.856 1.00 0.00 C ATOM 1247 CD LYS A 82 14.380 6.853 1.055 1.00 0.00 C ATOM 1248 CE LYS A 82 14.617 7.741 2.243 1.00 0.00 C ATOM 1249 NZ LYS A 82 15.828 8.580 2.116 1.00 0.00 N ATOM 0 H LYS A 82 14.017 2.843 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 82 16.454 3.295 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.018 5.073 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.862 4.691 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.837 5.480 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.341 6.337 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.277 7.467 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.439 6.319 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.750 8.386 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.704 7.124 3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.934 9.168 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.664 7.970 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.739 9.193 1.281 1.00 0.00 H new ATOM 1263 N ALA A 83 15.319 3.458 2.617 1.00 0.00 N ATOM 1264 CA ALA A 83 15.972 3.343 3.890 1.00 0.00 C ATOM 1265 C ALA A 83 15.109 2.673 4.805 1.00 0.00 C ATOM 1266 O ALA A 83 15.559 1.905 5.588 1.00 0.00 O ATOM 1267 CB ALA A 83 16.389 4.678 4.469 1.00 0.00 C ATOM 0 H ALA A 83 14.351 3.778 2.611 1.00 0.00 H new ATOM 0 HA ALA A 83 16.886 2.771 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.876 4.521 5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.082 5.170 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.509 5.306 4.606 1.00 0.00 H new ATOM 1273 N LYS A 84 13.871 3.042 4.718 1.00 0.00 N ATOM 1274 CA LYS A 84 12.931 2.401 5.567 1.00 0.00 C ATOM 1275 C LYS A 84 13.085 0.861 5.470 1.00 0.00 C ATOM 1276 O LYS A 84 13.029 0.195 6.497 1.00 0.00 O ATOM 1277 CB LYS A 84 11.519 2.945 5.304 1.00 0.00 C ATOM 1278 CG LYS A 84 10.460 1.932 4.938 1.00 0.00 C ATOM 1279 CD LYS A 84 10.022 1.069 6.114 1.00 0.00 C ATOM 1280 CE LYS A 84 8.883 0.135 5.738 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.594 0.839 5.551 1.00 0.00 N ATOM 0 H LYS A 84 13.501 3.757 4.092 1.00 0.00 H new ATOM 0 HA LYS A 84 13.129 2.636 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.188 3.477 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.581 3.678 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.592 2.453 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.841 1.288 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.869 0.483 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.709 1.710 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.140 -0.390 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.768 -0.620 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.849 0.348 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.679 1.817 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.347 0.848 4.541 1.00 0.00 H new ATOM 1295 N ALA A 85 13.359 0.283 4.277 1.00 0.00 N ATOM 1296 CA ALA A 85 13.564 -1.127 4.117 1.00 0.00 C ATOM 1297 C ALA A 85 15.019 -1.547 4.345 1.00 0.00 C ATOM 1298 O ALA A 85 15.230 -2.632 4.932 1.00 0.00 O ATOM 1299 CB ALA A 85 13.130 -1.551 2.733 1.00 0.00 C ATOM 0 H ALA A 85 13.439 0.810 3.407 1.00 0.00 H new ATOM 0 HA ALA A 85 12.961 -1.624 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.287 -2.623 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.073 -1.322 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.716 -1.014 1.987 1.00 0.00 H new ATOM 1305 N ASN A 86 16.060 -0.733 3.977 1.00 0.00 N ATOM 1306 CA ASN A 86 17.389 -1.210 4.411 1.00 0.00 C ATOM 1307 C ASN A 86 17.588 -1.101 5.895 1.00 0.00 C ATOM 1308 O ASN A 86 18.389 -1.820 6.479 1.00 0.00 O ATOM 1309 CB ASN A 86 18.570 -0.575 3.713 1.00 0.00 C ATOM 1310 CG ASN A 86 18.832 -1.176 2.339 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.358 -0.686 1.330 1.00 0.00 O ATOM 1312 ND2 ASN A 86 19.596 -2.259 2.296 1.00 0.00 N ATOM 0 H ASN A 86 16.014 0.140 3.451 1.00 0.00 H new ATOM 0 HA ASN A 86 17.371 -2.258 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.393 0.496 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.459 -0.693 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.800 -2.704 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.979 -2.647 3.158 1.00 0.00 H new ATOM 1319 N GLN A 87 16.854 -0.215 6.499 1.00 0.00 N ATOM 1320 CA GLN A 87 16.948 0.020 7.903 1.00 0.00 C ATOM 1321 C GLN A 87 16.178 -1.046 8.657 1.00 0.00 C ATOM 1322 O GLN A 87 16.474 -1.349 9.812 1.00 0.00 O ATOM 1323 CB GLN A 87 16.365 1.381 8.241 1.00 0.00 C ATOM 1324 CG GLN A 87 16.566 1.782 9.667 1.00 0.00 C ATOM 1325 CD GLN A 87 15.277 2.178 10.362 1.00 0.00 C ATOM 1326 OE1 GLN A 87 15.278 3.016 11.261 1.00 0.00 O ATOM 1327 NE2 GLN A 87 14.169 1.562 9.985 1.00 0.00 N ATOM 0 H GLN A 87 16.167 0.370 6.023 1.00 0.00 H new ATOM 0 HA GLN A 87 17.998 -0.011 8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.819 2.132 7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.297 1.374 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.025 0.955 10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.265 2.617 9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.200 0.871 9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.284 1.778 10.444 1.00 0.00 H new ATOM 1336 N LEU A 88 15.173 -1.631 8.013 1.00 0.00 N ATOM 1337 CA LEU A 88 14.229 -2.609 8.502 1.00 0.00 C ATOM 1338 C LEU A 88 14.855 -3.969 8.687 1.00 0.00 C ATOM 1339 O LEU A 88 14.297 -4.812 9.388 1.00 0.00 O ATOM 1340 CB LEU A 88 13.140 -2.730 7.412 1.00 0.00 C ATOM 1341 CG LEU A 88 11.672 -2.914 7.804 1.00 0.00 C ATOM 1342 CD1 LEU A 88 11.413 -4.202 8.569 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.160 -1.711 8.572 1.00 0.00 C ATOM 0 H LEU A 88 14.988 -1.403 7.036 1.00 0.00 H new ATOM 0 HA LEU A 88 13.846 -2.290 9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.199 -1.833 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.412 -3.572 6.776 1.00 0.00 H new ATOM 0 HG LEU A 88 11.114 -2.996 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.354 -4.271 8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.698 -5.055 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.001 -4.205 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.115 -1.867 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.750 -1.580 9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.247 -0.819 7.951 1.00 0.00 H new ATOM 1355 N GLN A 89 16.040 -4.206 8.169 1.00 0.00 N ATOM 1356 CA GLN A 89 16.669 -5.510 8.057 1.00 0.00 C ATOM 1357 C GLN A 89 18.161 -5.384 8.176 1.00 0.00 C ATOM 1358 O GLN A 89 18.761 -4.526 7.529 1.00 0.00 O ATOM 1359 CB GLN A 89 16.345 -6.062 6.667 1.00 0.00 C ATOM 1360 CG GLN A 89 14.862 -6.144 6.415 1.00 0.00 C ATOM 1361 CD GLN A 89 14.488 -6.405 4.990 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.373 -7.546 4.550 1.00 0.00 O ATOM 1363 NE2 GLN A 89 14.277 -5.344 4.252 1.00 0.00 N ATOM 0 H GLN A 89 16.623 -3.458 7.794 1.00 0.00 H new ATOM 0 HA GLN A 89 16.302 -6.164 8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.805 -5.427 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.785 -7.054 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.444 -6.935 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.400 -5.209 6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.383 -4.413 4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.007 -5.449 3.274 1.00 0.00 H new ATOM 1372 N GLU A 90 18.773 -6.269 8.942 1.00 0.00 N ATOM 1373 CA GLU A 90 20.218 -6.209 9.090 1.00 0.00 C ATOM 1374 C GLU A 90 20.790 -6.945 7.880 1.00 0.00 C ATOM 1375 O GLU A 90 21.965 -6.850 7.557 1.00 0.00 O ATOM 1376 CB GLU A 90 20.620 -6.993 10.329 1.00 0.00 C ATOM 1377 CG GLU A 90 19.930 -6.562 11.607 1.00 0.00 C ATOM 1378 CD GLU A 90 19.942 -7.669 12.625 1.00 0.00 C ATOM 1379 OE1 GLU A 90 20.941 -7.832 13.348 1.00 0.00 O ATOM 1380 OE2 GLU A 90 18.955 -8.436 12.677 1.00 0.00 O ATOM 0 H GLU A 90 18.310 -7.017 9.458 1.00 0.00 H new ATOM 0 HA GLU A 90 20.570 -5.180 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 90 20.409 -8.049 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 90 21.697 -6.901 10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 90 20.428 -5.683 12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.901 -6.274 11.390 1.00 0.00 H new ATOM 1387 N GLN A 91 19.895 -7.695 7.229 1.00 0.00 N ATOM 1388 CA GLN A 91 20.233 -8.537 6.118 1.00 0.00 C ATOM 1389 C GLN A 91 20.321 -7.750 4.824 1.00 0.00 C ATOM 1390 O GLN A 91 20.716 -8.294 3.795 1.00 0.00 O ATOM 1391 CB GLN A 91 19.179 -9.627 5.975 1.00 0.00 C ATOM 1392 CG GLN A 91 18.943 -10.443 7.232 1.00 0.00 C ATOM 1393 CD GLN A 91 20.195 -11.104 7.756 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.099 -11.450 6.996 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.260 -11.284 9.052 1.00 0.00 N ATOM 0 H GLN A 91 18.906 -7.722 7.476 1.00 0.00 H new ATOM 0 HA GLN A 91 21.212 -8.976 6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.238 -9.167 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.477 -10.300 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.531 -9.795 8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.195 -11.208 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.489 -10.983 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.082 -11.725 9.465 1.00 0.00 H new ATOM 1404 N GLY A 92 19.956 -6.471 4.852 1.00 0.00 N ATOM 1405 CA GLY A 92 20.043 -5.687 3.652 1.00 0.00 C ATOM 1406 C GLY A 92 18.910 -5.937 2.679 1.00 0.00 C ATOM 1407 O GLY A 92 19.156 -6.426 1.585 1.00 0.00 O ATOM 0 H GLY A 92 19.608 -5.978 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 92 20.055 -4.630 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.990 -5.901 3.156 1.00 0.00 H new ATOM 1411 N MET A 93 17.680 -5.583 3.085 1.00 0.00 N ATOM 1412 CA MET A 93 16.448 -5.655 2.271 1.00 0.00 C ATOM 1413 C MET A 93 16.314 -6.911 1.411 1.00 0.00 C ATOM 1414 O MET A 93 16.814 -6.972 0.281 1.00 0.00 O ATOM 1415 CB MET A 93 16.044 -4.350 1.546 1.00 0.00 C ATOM 1416 CG MET A 93 16.938 -3.896 0.400 1.00 0.00 C ATOM 1417 SD MET A 93 16.274 -2.449 -0.452 1.00 0.00 S ATOM 1418 CE MET A 93 17.500 -2.223 -1.738 1.00 0.00 C ATOM 0 H MET A 93 17.506 -5.225 4.024 1.00 0.00 H new ATOM 0 HA MET A 93 15.679 -5.767 3.035 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.033 -4.476 1.159 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.005 -3.549 2.284 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.931 -3.664 0.786 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.055 -4.713 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.230 -1.364 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.476 -2.052 -1.284 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.541 -3.116 -2.362 1.00 0.00 H new ATOM 1428 N GLU A 94 15.603 -7.902 1.936 1.00 0.00 N ATOM 1429 CA GLU A 94 15.555 -9.182 1.279 1.00 0.00 C ATOM 1430 C GLU A 94 14.273 -9.998 1.571 1.00 0.00 C ATOM 1431 O GLU A 94 14.144 -11.109 1.050 1.00 0.00 O ATOM 1432 CB GLU A 94 16.821 -9.988 1.631 1.00 0.00 C ATOM 1433 CG GLU A 94 16.993 -10.304 3.105 1.00 0.00 C ATOM 1434 CD GLU A 94 18.014 -11.393 3.346 1.00 0.00 C ATOM 1435 OE1 GLU A 94 19.193 -11.240 2.957 1.00 0.00 O ATOM 1436 OE2 GLU A 94 17.637 -12.436 3.918 1.00 0.00 O ATOM 0 H GLU A 94 15.064 -7.837 2.800 1.00 0.00 H new ATOM 0 HA GLU A 94 15.523 -8.984 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.803 -10.925 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.694 -9.431 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.297 -9.401 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.034 -10.610 3.522 1.00 0.00 H new ATOM 1443 N THR A 95 13.289 -9.428 2.306 1.00 0.00 N ATOM 1444 CA THR A 95 12.067 -10.185 2.689 1.00 0.00 C ATOM 1445 C THR A 95 11.233 -9.492 3.786 1.00 0.00 C ATOM 1446 O THR A 95 10.010 -9.358 3.668 1.00 0.00 O ATOM 1447 CB THR A 95 12.363 -11.654 3.139 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.151 -12.351 3.458 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.325 -11.723 4.327 1.00 0.00 C ATOM 0 H THR A 95 13.312 -8.465 2.642 1.00 0.00 H new ATOM 0 HA THR A 95 11.484 -10.209 1.769 1.00 0.00 H new ATOM 0 HB THR A 95 12.846 -12.140 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.980 -13.038 2.780 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.495 -12.765 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.273 -11.259 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.893 -11.194 5.176 1.00 0.00 H new ATOM 1457 N SER A 96 11.883 -9.009 4.831 1.00 0.00 N ATOM 1458 CA SER A 96 11.180 -8.510 5.991 1.00 0.00 C ATOM 1459 C SER A 96 10.664 -7.099 5.778 1.00 0.00 C ATOM 1460 O SER A 96 10.177 -6.470 6.698 1.00 0.00 O ATOM 1461 CB SER A 96 12.093 -8.617 7.215 1.00 0.00 C ATOM 1462 OG SER A 96 11.450 -8.219 8.421 1.00 0.00 O ATOM 0 H SER A 96 12.899 -8.954 4.896 1.00 0.00 H new ATOM 0 HA SER A 96 10.295 -9.123 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.439 -9.646 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.976 -7.998 7.059 1.00 0.00 H new ATOM 0 HG SER A 96 10.813 -7.499 8.230 1.00 0.00 H new ATOM 1468 N GLU A 97 10.818 -6.601 4.579 1.00 0.00 N ATOM 1469 CA GLU A 97 10.244 -5.327 4.252 1.00 0.00 C ATOM 1470 C GLU A 97 9.004 -5.565 3.402 1.00 0.00 C ATOM 1471 O GLU A 97 7.996 -4.880 3.531 1.00 0.00 O ATOM 1472 CB GLU A 97 11.248 -4.420 3.525 1.00 0.00 C ATOM 1473 CG GLU A 97 11.542 -4.761 2.057 1.00 0.00 C ATOM 1474 CD GLU A 97 12.270 -6.064 1.896 1.00 0.00 C ATOM 1475 OE1 GLU A 97 11.650 -7.124 2.005 1.00 0.00 O ATOM 1476 OE2 GLU A 97 13.473 -6.038 1.713 1.00 0.00 O ATOM 0 H GLU A 97 11.330 -7.054 3.822 1.00 0.00 H new ATOM 0 HA GLU A 97 9.971 -4.808 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.877 -3.396 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.189 -4.442 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.604 -4.804 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.136 -3.961 1.615 1.00 0.00 H new ATOM 1483 N MET A 98 9.111 -6.524 2.513 1.00 0.00 N ATOM 1484 CA MET A 98 8.060 -6.900 1.609 1.00 0.00 C ATOM 1485 C MET A 98 6.932 -7.666 2.320 1.00 0.00 C ATOM 1486 O MET A 98 5.768 -7.441 2.040 1.00 0.00 O ATOM 1487 CB MET A 98 8.647 -7.608 0.356 1.00 0.00 C ATOM 1488 CG MET A 98 9.359 -8.946 0.551 1.00 0.00 C ATOM 1489 SD MET A 98 8.280 -10.321 0.976 1.00 0.00 S ATOM 1490 CE MET A 98 6.998 -10.177 -0.257 1.00 0.00 C ATOM 0 H MET A 98 9.959 -7.079 2.399 1.00 0.00 H new ATOM 0 HA MET A 98 7.571 -6.000 1.237 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.832 -7.764 -0.351 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.351 -6.922 -0.115 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.895 -9.193 -0.365 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.106 -8.833 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.655 -11.171 -0.543 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.163 -9.608 0.151 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.393 -9.664 -1.134 1.00 0.00 H new ATOM 1500 N LEU A 99 7.269 -8.579 3.231 1.00 0.00 N ATOM 1501 CA LEU A 99 6.222 -9.236 4.036 1.00 0.00 C ATOM 1502 C LEU A 99 5.696 -8.235 5.060 1.00 0.00 C ATOM 1503 O LEU A 99 4.535 -8.294 5.531 1.00 0.00 O ATOM 1504 CB LEU A 99 6.768 -10.477 4.750 1.00 0.00 C ATOM 1505 CG LEU A 99 7.287 -11.610 3.859 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.887 -12.718 4.707 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.183 -12.155 2.949 1.00 0.00 C ATOM 0 H LEU A 99 8.223 -8.878 3.431 1.00 0.00 H new ATOM 0 HA LEU A 99 5.418 -9.561 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.579 -10.162 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.979 -10.878 5.386 1.00 0.00 H new ATOM 0 HG LEU A 99 8.069 -11.203 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.251 -13.515 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.715 -12.320 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.126 -13.115 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.585 -12.957 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.366 -12.541 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.811 -11.355 2.309 1.00 0.00 H new ATOM 1519 N ALA A 100 6.581 -7.300 5.375 1.00 0.00 N ATOM 1520 CA ALA A 100 6.258 -6.219 6.276 1.00 0.00 C ATOM 1521 C ALA A 100 5.089 -5.438 5.746 1.00 0.00 C ATOM 1522 O ALA A 100 4.288 -4.940 6.517 1.00 0.00 O ATOM 1523 CB ALA A 100 7.429 -5.295 6.519 1.00 0.00 C ATOM 0 H ALA A 100 7.534 -7.275 5.013 1.00 0.00 H new ATOM 0 HA ALA A 100 5.999 -6.668 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.130 -4.501 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.253 -5.859 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.750 -4.858 5.574 1.00 0.00 H new ATOM 1529 N LEU A 101 4.938 -5.409 4.423 1.00 0.00 N ATOM 1530 CA LEU A 101 3.859 -4.735 3.738 1.00 0.00 C ATOM 1531 C LEU A 101 2.530 -5.210 4.221 1.00 0.00 C ATOM 1532 O LEU A 101 1.608 -4.427 4.310 1.00 0.00 O ATOM 1533 CB LEU A 101 3.964 -4.909 2.236 1.00 0.00 C ATOM 1534 CG LEU A 101 5.199 -4.241 1.606 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.379 -4.664 0.165 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.097 -2.725 1.700 1.00 0.00 C ATOM 0 H LEU A 101 5.588 -5.871 3.787 1.00 0.00 H new ATOM 0 HA LEU A 101 3.947 -3.673 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.985 -5.974 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.067 -4.500 1.771 1.00 0.00 H new ATOM 0 HG LEU A 101 6.074 -4.570 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.260 -4.175 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.508 -5.745 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.499 -4.377 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.980 -2.272 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.206 -2.387 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.032 -2.429 2.747 1.00 0.00 H new ATOM 1548 N LEU A 102 2.434 -6.455 4.632 1.00 0.00 N ATOM 1549 CA LEU A 102 1.215 -7.003 5.122 1.00 0.00 C ATOM 1550 C LEU A 102 0.869 -6.442 6.486 1.00 0.00 C ATOM 1551 O LEU A 102 -0.237 -5.934 6.676 1.00 0.00 O ATOM 1552 CB LEU A 102 1.260 -8.525 5.185 1.00 0.00 C ATOM 1553 CG LEU A 102 0.047 -9.164 5.855 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.220 -8.936 5.038 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.279 -10.637 6.128 1.00 0.00 C ATOM 0 H LEU A 102 3.215 -7.112 4.630 1.00 0.00 H new ATOM 0 HA LEU A 102 0.437 -6.715 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.348 -8.916 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.158 -8.828 5.723 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.095 -8.675 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.066 -9.403 5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.402 -7.866 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.099 -9.376 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.604 -11.062 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.468 -11.156 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.140 -10.754 6.787 1.00 0.00 H new ATOM 1567 N HIS A 103 1.805 -6.533 7.437 1.00 0.00 N ATOM 1568 CA HIS A 103 1.474 -6.078 8.791 1.00 0.00 C ATOM 1569 C HIS A 103 1.169 -4.577 8.768 1.00 0.00 C ATOM 1570 O HIS A 103 0.346 -4.097 9.533 1.00 0.00 O ATOM 1571 CB HIS A 103 2.566 -6.423 9.846 1.00 0.00 C ATOM 1572 CG HIS A 103 3.718 -5.456 9.957 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.874 -5.609 9.244 1.00 0.00 N ATOM 1574 CD2 HIS A 103 3.797 -4.320 10.688 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.617 -4.551 9.544 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.010 -3.754 10.420 1.00 0.00 N ATOM 0 H HIS A 103 2.749 -6.897 7.308 1.00 0.00 H new ATOM 0 HA HIS A 103 0.586 -6.624 9.109 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.087 -6.498 10.822 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.968 -7.409 9.612 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.043 -3.934 11.357 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.595 -4.360 9.128 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.379 -2.889 10.814 1.00 0.00 H new ATOM 1584 N ILE A 104 1.790 -3.884 7.821 1.00 0.00 N ATOM 1585 CA ILE A 104 1.605 -2.435 7.715 1.00 0.00 C ATOM 1586 C ILE A 104 0.333 -2.108 6.936 1.00 0.00 C ATOM 1587 O ILE A 104 -0.401 -1.189 7.295 1.00 0.00 O ATOM 1588 CB ILE A 104 2.885 -1.675 7.177 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.688 -0.158 7.001 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.389 -2.255 5.881 1.00 0.00 C ATOM 1591 CD1 ILE A 104 2.081 0.231 5.659 1.00 0.00 C ATOM 0 H ILE A 104 2.416 -4.289 7.125 1.00 0.00 H new ATOM 0 HA ILE A 104 1.472 -2.051 8.727 1.00 0.00 H new ATOM 0 HB ILE A 104 3.628 -1.823 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.045 0.211 7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.652 0.339 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.268 -1.701 5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.655 -3.302 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.609 -2.183 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.973 1.314 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.733 -0.106 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.102 -0.237 5.553 1.00 0.00 H new ATOM 1603 N THR A 105 0.040 -2.913 5.933 1.00 0.00 N ATOM 1604 CA THR A 105 -1.155 -2.672 5.151 1.00 0.00 C ATOM 1605 C THR A 105 -2.390 -3.018 5.984 1.00 0.00 C ATOM 1606 O THR A 105 -3.323 -2.258 6.038 1.00 0.00 O ATOM 1607 CB THR A 105 -1.136 -3.395 3.757 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.113 -2.833 2.881 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.417 -4.885 3.874 1.00 0.00 C ATOM 0 H THR A 105 0.596 -3.718 5.646 1.00 0.00 H new ATOM 0 HA THR A 105 -1.192 -1.611 4.906 1.00 0.00 H new ATOM 0 HB THR A 105 -0.132 -3.252 3.357 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.210 -1.876 3.070 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.393 -5.339 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.659 -5.350 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.401 -5.036 4.318 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.342 -4.119 6.713 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.511 -4.461 7.513 1.00 0.00 C ATOM 1619 C ARG A 106 -3.638 -3.513 8.700 1.00 0.00 C ATOM 1620 O ARG A 106 -4.740 -3.185 9.123 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.555 -5.922 7.968 1.00 0.00 C ATOM 1622 CG ARG A 106 -2.445 -6.338 8.914 1.00 0.00 C ATOM 1623 CD ARG A 106 -2.795 -7.622 9.644 1.00 0.00 C ATOM 1624 NE ARG A 106 -3.037 -8.760 8.753 1.00 0.00 N ATOM 1625 CZ ARG A 106 -3.717 -9.857 9.112 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -4.310 -9.921 10.300 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -3.830 -10.869 8.274 1.00 0.00 N ATOM 0 H ARG A 106 -1.553 -4.763 6.771 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.372 -4.339 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.513 -6.105 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.518 -6.562 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.520 -6.476 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.264 -5.543 9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.984 -7.873 10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.684 -7.453 10.252 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.666 -8.714 7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.249 -9.132 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.826 -10.759 10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.399 -10.817 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.348 -11.703 8.549 1.00 0.00 H new ATOM 1641 N ASP A 107 -2.501 -3.062 9.217 1.00 0.00 N ATOM 1642 CA ASP A 107 -2.478 -2.098 10.312 1.00 0.00 C ATOM 1643 C ASP A 107 -3.183 -0.836 9.873 1.00 0.00 C ATOM 1644 O ASP A 107 -4.151 -0.385 10.496 1.00 0.00 O ATOM 1645 CB ASP A 107 -1.030 -1.754 10.698 1.00 0.00 C ATOM 1646 CG ASP A 107 -0.930 -0.840 11.906 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -1.012 0.390 11.750 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -0.762 -1.349 13.047 1.00 0.00 O ATOM 0 H ASP A 107 -1.578 -3.350 8.893 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.980 -2.534 11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.487 -2.677 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.539 -1.278 9.849 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.722 -0.307 8.763 1.00 0.00 N ATOM 1654 CA ALA A 108 -3.256 0.898 8.210 1.00 0.00 C ATOM 1655 C ALA A 108 -4.680 0.692 7.706 1.00 0.00 C ATOM 1656 O ALA A 108 -5.621 1.161 8.300 1.00 0.00 O ATOM 1657 CB ALA A 108 -2.356 1.385 7.085 1.00 0.00 C ATOM 0 H ALA A 108 -1.959 -0.711 8.220 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.292 1.654 8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.764 2.304 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.357 1.578 7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.301 0.623 6.307 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.817 -0.184 6.776 1.00 0.00 N ATOM 1664 CA TYR A 109 -6.063 -0.307 6.007 1.00 0.00 C ATOM 1665 C TYR A 109 -7.269 -0.603 6.884 1.00 0.00 C ATOM 1666 O TYR A 109 -8.302 0.047 6.830 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.912 -1.347 4.886 1.00 0.00 C ATOM 1668 CG TYR A 109 -5.042 -0.908 3.711 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -4.051 0.061 3.846 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -5.225 -1.470 2.465 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -3.276 0.448 2.774 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -4.459 -1.093 1.384 1.00 0.00 C ATOM 1673 CZ TYR A 109 -3.482 -0.135 1.543 1.00 0.00 C ATOM 1674 OH TYR A 109 -2.717 0.247 0.463 1.00 0.00 O ATOM 0 H TYR A 109 -4.089 -0.846 6.506 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.252 0.664 5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.490 -2.258 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.903 -1.600 4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.886 0.519 4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.987 -2.224 2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -2.513 1.202 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.623 -1.546 0.417 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.991 -0.262 -0.328 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.048 -1.517 7.744 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.165 -1.940 8.568 1.00 0.00 C ATOM 1686 C ARG A 110 -8.524 -0.883 9.640 1.00 0.00 C ATOM 1687 O ARG A 110 -9.565 -0.961 10.298 1.00 0.00 O ATOM 1688 CB ARG A 110 -7.898 -3.333 9.104 1.00 0.00 C ATOM 1689 CG ARG A 110 -7.438 -4.249 7.975 1.00 0.00 C ATOM 1690 CD ARG A 110 -8.462 -4.332 6.833 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.624 -5.153 7.197 1.00 0.00 N ATOM 1692 CZ ARG A 110 -10.583 -5.558 6.358 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -10.871 -4.856 5.270 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -11.345 -6.593 6.691 1.00 0.00 N ATOM 0 H ARG A 110 -6.157 -1.984 7.911 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.069 -2.011 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.136 -3.292 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -8.802 -3.734 9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.488 -3.887 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.259 -5.248 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.795 -3.328 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.985 -4.751 5.947 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.706 -5.438 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.359 -3.998 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.605 -5.174 4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.196 -7.071 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -12.079 -6.910 6.058 1.00 0.00 H new ATOM 1708 N SER A 111 -7.674 0.122 9.783 1.00 0.00 N ATOM 1709 CA SER A 111 -7.939 1.198 10.715 1.00 0.00 C ATOM 1710 C SER A 111 -8.532 2.504 10.088 1.00 0.00 C ATOM 1711 O SER A 111 -9.068 3.319 10.833 1.00 0.00 O ATOM 1712 CB SER A 111 -6.673 1.496 11.509 1.00 0.00 C ATOM 1713 OG SER A 111 -6.158 0.303 12.101 1.00 0.00 O ATOM 0 H SER A 111 -6.799 0.212 9.266 1.00 0.00 H new ATOM 0 HA SER A 111 -8.733 0.839 11.369 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.922 1.937 10.854 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.889 2.230 12.286 1.00 0.00 H new ATOM 0 HG SER A 111 -5.283 0.096 11.711 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.519 2.708 8.741 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.013 3.966 8.104 1.00 0.00 C ATOM 1721 C TRP A 112 -9.289 3.754 6.620 1.00 0.00 C ATOM 1722 O TRP A 112 -9.596 4.690 5.892 1.00 0.00 O ATOM 1723 CB TRP A 112 -7.972 5.131 8.274 1.00 0.00 C ATOM 1724 CG TRP A 112 -6.615 4.638 8.677 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -5.756 3.953 7.894 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -5.980 4.745 9.963 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -4.640 3.628 8.593 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -4.748 4.085 9.859 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.331 5.319 11.188 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.860 3.975 10.905 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.439 5.214 12.242 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.217 4.541 12.096 1.00 0.00 C ATOM 0 H TRP A 112 -8.172 2.018 8.074 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.941 4.240 8.606 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -7.891 5.680 7.336 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.337 5.833 9.024 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -5.932 3.700 6.859 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -3.841 3.116 8.219 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.274 5.831 11.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.917 3.461 10.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.689 5.659 13.194 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.547 4.469 12.940 1.00 0.00 H new ATOM 1743 N THR A 113 -9.223 2.516 6.189 1.00 0.00 N ATOM 1744 CA THR A 113 -9.312 2.190 4.780 1.00 0.00 C ATOM 1745 C THR A 113 -10.378 1.108 4.556 1.00 0.00 C ATOM 1746 O THR A 113 -10.684 0.757 3.410 1.00 0.00 O ATOM 1747 CB THR A 113 -7.941 1.657 4.316 1.00 0.00 C ATOM 1748 OG1 THR A 113 -6.892 2.471 4.866 1.00 0.00 O ATOM 1749 CG2 THR A 113 -7.784 1.657 2.816 1.00 0.00 C ATOM 0 H THR A 113 -9.107 1.708 6.800 1.00 0.00 H new ATOM 0 HA THR A 113 -9.588 3.079 4.213 1.00 0.00 H new ATOM 0 HB THR A 113 -7.879 0.627 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.207 3.394 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.799 1.271 2.553 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.552 1.025 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.887 2.675 2.439 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.990 0.668 5.669 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.962 -0.439 5.726 1.00 0.00 C ATOM 1759 C ASN A 114 -11.294 -1.759 5.989 1.00 0.00 C ATOM 1760 O ASN A 114 -11.530 -2.316 7.088 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.977 -0.512 4.566 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.975 0.622 4.597 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -15.045 0.503 5.194 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -13.635 1.734 3.974 1.00 0.00 N ATOM 1765 OXT ASN A 114 -10.510 -2.234 5.147 1.00 0.00 O ATOM 0 H ASN A 114 -10.817 1.086 6.583 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.585 -0.195 6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.441 -0.494 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.510 -1.462 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.268 2.534 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.739 1.794 3.490 1.00 0.00 H new