USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 863 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 68 GLN : amide:sc= -0.803! C(o=0.21!,f=-15!) USER MOD Set 1.2: A 76 SER OG : rot 14:sc= 1.01 USER MOD Set 2.1: A 47 SER OG : rot -172:sc= -2.61! USER MOD Set 2.2: A 53 GLN : amide:sc= 0 K(o=-2.6,f=-3.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.466 (180deg=-0.94) USER MOD Single : A 2 THR OG1 : rot -160:sc= 0.0827 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 17 HIS : no HD1:sc= 0.0448 K(o=0.045,f=-3.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -108:sc=-0.00629 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 MET CE :methyl 176:sc= -0.0741 (180deg=-0.101) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0667 F(o=-2!,f=-0.067) USER MOD Single : A 27 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.26) USER MOD Single : A 32 THR OG1 : rot -60:sc= -4.76! USER MOD Single : A 35 GLN :FLIP amide:sc= -5.31! C(o=-7.5!,f=-5.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.711 K(o=-0.71,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -3.08! C(o=-6.4!,f=-3.1!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 27:sc= 0.978! USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -1.34 (180deg=-1.74!) USER MOD Single : A 67 SER OG : rot -150:sc= 0.415! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 98 ASN : amide:sc= -0.61! C(o=-0.61!,f=-0.61!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.0583 F(o=-2.1!,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.327 -17.092 39.208 1.00 0.00 N ATOM 2 CA MET A 1 -17.177 -16.561 38.420 1.00 0.00 C ATOM 3 C MET A 1 -16.183 -17.685 38.150 1.00 0.00 C ATOM 4 O MET A 1 -15.631 -18.276 39.078 1.00 0.00 O ATOM 5 CB MET A 1 -16.500 -15.439 39.209 1.00 0.00 C ATOM 6 CG MET A 1 -16.741 -15.648 40.706 1.00 0.00 C ATOM 7 SD MET A 1 -15.772 -14.443 41.649 1.00 0.00 S ATOM 8 CE MET A 1 -15.630 -15.405 43.175 1.00 0.00 C ATOM 0 H1 MET A 1 -18.908 -16.300 39.551 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.906 -17.710 38.604 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.970 -17.636 40.019 1.00 0.00 H new ATOM 0 HA MET A 1 -17.532 -16.166 37.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.430 -15.428 39.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.895 -14.472 38.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.801 -15.536 40.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.459 -16.661 40.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.058 -14.839 43.910 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.625 -15.610 43.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.122 -16.346 42.966 1.00 0.00 H new ATOM 18 N THR A 2 -15.962 -17.977 36.872 1.00 0.00 N ATOM 19 CA THR A 2 -15.034 -19.033 36.488 1.00 0.00 C ATOM 20 C THR A 2 -13.618 -18.484 36.342 1.00 0.00 C ATOM 21 O THR A 2 -13.327 -17.369 36.776 1.00 0.00 O ATOM 22 CB THR A 2 -15.485 -19.655 35.165 1.00 0.00 C ATOM 23 OG1 THR A 2 -16.462 -18.816 34.562 1.00 0.00 O ATOM 24 CG2 THR A 2 -16.085 -21.037 35.426 1.00 0.00 C ATOM 0 H THR A 2 -16.410 -17.500 36.090 1.00 0.00 H new ATOM 0 HA THR A 2 -15.030 -19.793 37.269 1.00 0.00 H new ATOM 0 HB THR A 2 -14.629 -19.756 34.498 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.977 -19.332 33.907 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.406 -21.479 34.482 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.335 -21.678 35.890 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.943 -20.941 36.092 1.00 0.00 H new ATOM 32 N ALA A 3 -12.742 -19.275 35.729 1.00 0.00 N ATOM 33 CA ALA A 3 -11.358 -18.855 35.532 1.00 0.00 C ATOM 34 C ALA A 3 -11.012 -18.837 34.052 1.00 0.00 C ATOM 35 O ALA A 3 -10.271 -17.974 33.581 1.00 0.00 O ATOM 36 CB ALA A 3 -10.413 -19.806 36.266 1.00 0.00 C ATOM 0 H ALA A 3 -12.962 -20.201 35.363 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.243 -17.848 35.934 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.383 -19.485 36.113 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.642 -19.796 37.332 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.539 -20.816 35.877 1.00 0.00 H new ATOM 42 N GLU A 4 -11.559 -19.797 33.330 1.00 0.00 N ATOM 43 CA GLU A 4 -11.317 -19.903 31.897 1.00 0.00 C ATOM 44 C GLU A 4 -12.279 -19.007 31.122 1.00 0.00 C ATOM 45 O GLU A 4 -12.245 -17.784 31.259 1.00 0.00 O ATOM 46 CB GLU A 4 -11.478 -21.356 31.443 1.00 0.00 C ATOM 47 CG GLU A 4 -10.633 -22.266 32.337 1.00 0.00 C ATOM 48 CD GLU A 4 -9.163 -22.160 31.946 1.00 0.00 C ATOM 49 OE1 GLU A 4 -8.895 -21.735 30.834 1.00 0.00 O ATOM 50 OE2 GLU A 4 -8.327 -22.506 32.764 1.00 0.00 O ATOM 0 H GLU A 4 -12.175 -20.516 33.709 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.297 -19.576 31.695 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.526 -21.650 31.494 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.168 -21.460 30.403 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.761 -21.984 33.382 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.970 -23.298 32.242 1.00 0.00 H new ATOM 57 N LEU A 5 -13.132 -19.619 30.310 1.00 0.00 N ATOM 58 CA LEU A 5 -14.092 -18.859 29.520 1.00 0.00 C ATOM 59 C LEU A 5 -13.383 -17.760 28.737 1.00 0.00 C ATOM 60 O LEU A 5 -12.167 -17.600 28.838 1.00 0.00 O ATOM 61 CB LEU A 5 -15.148 -18.239 30.436 1.00 0.00 C ATOM 62 CG LEU A 5 -16.021 -19.347 31.026 1.00 0.00 C ATOM 63 CD1 LEU A 5 -16.719 -20.105 29.895 1.00 0.00 C ATOM 64 CD2 LEU A 5 -15.142 -20.314 31.820 1.00 0.00 C ATOM 0 H LEU A 5 -13.179 -20.630 30.182 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.577 -19.536 28.817 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.667 -17.676 31.235 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.763 -17.535 29.876 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.771 -18.909 31.685 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.341 -20.895 30.316 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.343 -19.416 29.326 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.971 -20.545 29.236 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.761 -21.105 32.242 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.394 -20.752 31.159 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.643 -19.775 32.625 1.00 0.00 H new ATOM 76 N GLN A 6 -14.148 -17.005 27.957 1.00 0.00 N ATOM 77 CA GLN A 6 -13.573 -15.927 27.161 1.00 0.00 C ATOM 78 C GLN A 6 -14.643 -14.909 26.786 1.00 0.00 C ATOM 79 O GLN A 6 -14.822 -14.584 25.611 1.00 0.00 O ATOM 80 CB GLN A 6 -12.944 -16.503 25.888 1.00 0.00 C ATOM 81 CG GLN A 6 -11.860 -15.562 25.349 1.00 0.00 C ATOM 82 CD GLN A 6 -10.697 -16.381 24.801 1.00 0.00 C ATOM 83 OE1 GLN A 6 -10.831 -17.040 23.770 1.00 0.00 O ATOM 84 NE2 GLN A 6 -9.557 -16.380 25.435 1.00 0.00 N ATOM 0 H GLN A 6 -15.157 -17.117 27.859 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.807 -15.428 27.754 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.512 -17.481 26.100 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.714 -16.652 25.131 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.272 -14.928 24.564 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.511 -14.901 26.142 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.449 -15.833 26.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.774 -16.926 25.077 1.00 0.00 H new ATOM 93 N GLN A 7 -15.354 -14.408 27.790 1.00 0.00 N ATOM 94 CA GLN A 7 -16.405 -13.425 27.554 1.00 0.00 C ATOM 95 C GLN A 7 -15.801 -12.055 27.273 1.00 0.00 C ATOM 96 O GLN A 7 -16.520 -11.068 27.115 1.00 0.00 O ATOM 97 CB GLN A 7 -17.326 -13.339 28.771 1.00 0.00 C ATOM 98 CG GLN A 7 -16.487 -13.375 30.049 1.00 0.00 C ATOM 99 CD GLN A 7 -17.379 -13.154 31.266 1.00 0.00 C ATOM 100 OE1 GLN A 7 -18.549 -12.798 31.122 1.00 0.00 O ATOM 101 NE2 GLN A 7 -16.895 -13.344 32.462 1.00 0.00 N ATOM 0 H GLN A 7 -15.223 -14.664 28.769 1.00 0.00 H new ATOM 0 HA GLN A 7 -16.983 -13.741 26.686 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -17.911 -12.420 28.733 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -18.034 -14.168 28.764 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -15.977 -14.335 30.132 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.716 -12.606 30.009 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.926 -13.639 32.579 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.486 -13.198 33.280 1.00 0.00 H new ATOM 110 N ASP A 8 -14.475 -12.004 27.215 1.00 0.00 N ATOM 111 CA ASP A 8 -13.779 -10.750 26.957 1.00 0.00 C ATOM 112 C ASP A 8 -13.462 -10.610 25.474 1.00 0.00 C ATOM 113 O ASP A 8 -13.192 -9.514 24.983 1.00 0.00 O ATOM 114 CB ASP A 8 -12.482 -10.707 27.767 1.00 0.00 C ATOM 115 CG ASP A 8 -12.582 -9.646 28.858 1.00 0.00 C ATOM 116 OD1 ASP A 8 -13.649 -9.514 29.435 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.589 -8.981 29.103 1.00 0.00 O ATOM 0 H ASP A 8 -13.864 -12.811 27.342 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.424 -9.924 27.255 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.290 -11.683 28.214 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.641 -10.486 27.110 1.00 0.00 H new ATOM 122 N ASP A 9 -13.497 -11.731 24.771 1.00 0.00 N ATOM 123 CA ASP A 9 -13.211 -11.740 23.339 1.00 0.00 C ATOM 124 C ASP A 9 -13.733 -10.477 22.672 1.00 0.00 C ATOM 125 O ASP A 9 -12.971 -9.696 22.104 1.00 0.00 O ATOM 126 CB ASP A 9 -13.843 -12.972 22.685 1.00 0.00 C ATOM 127 CG ASP A 9 -15.327 -12.734 22.423 1.00 0.00 C ATOM 128 OD1 ASP A 9 -16.088 -12.768 23.374 1.00 0.00 O ATOM 129 OD2 ASP A 9 -15.678 -12.519 21.274 1.00 0.00 O ATOM 0 H ASP A 9 -13.720 -12.645 25.164 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.129 -11.777 23.208 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.333 -13.196 21.748 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.716 -13.840 23.332 1.00 0.00 H new ATOM 134 N ALA A 10 -15.037 -10.294 22.743 1.00 0.00 N ATOM 135 CA ALA A 10 -15.673 -9.130 22.140 1.00 0.00 C ATOM 136 C ALA A 10 -14.924 -8.713 20.881 1.00 0.00 C ATOM 137 O ALA A 10 -13.896 -8.039 20.954 1.00 0.00 O ATOM 138 CB ALA A 10 -15.686 -7.966 23.130 1.00 0.00 C ATOM 0 H ALA A 10 -15.680 -10.933 23.211 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.698 -9.394 21.878 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.164 -7.101 22.669 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.241 -8.254 24.023 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.663 -7.711 23.405 1.00 0.00 H new ATOM 144 N ALA A 11 -15.440 -9.117 19.727 1.00 0.00 N ATOM 145 CA ALA A 11 -14.796 -8.776 18.467 1.00 0.00 C ATOM 146 C ALA A 11 -15.674 -7.838 17.643 1.00 0.00 C ATOM 147 O ALA A 11 -16.802 -8.178 17.288 1.00 0.00 O ATOM 148 CB ALA A 11 -14.507 -10.044 17.664 1.00 0.00 C ATOM 0 H ALA A 11 -16.290 -9.673 19.638 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.859 -8.268 18.693 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.025 -9.777 16.723 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.847 -10.695 18.237 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.442 -10.565 17.458 1.00 0.00 H new ATOM 154 N GLY A 12 -15.142 -6.658 17.343 1.00 0.00 N ATOM 155 CA GLY A 12 -15.879 -5.675 16.558 1.00 0.00 C ATOM 156 C GLY A 12 -15.428 -5.698 15.103 1.00 0.00 C ATOM 157 O GLY A 12 -14.233 -5.624 14.812 1.00 0.00 O ATOM 0 H GLY A 12 -14.209 -6.360 17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.947 -5.883 16.616 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.725 -4.680 16.976 1.00 0.00 H new ATOM 161 N ALA A 13 -16.388 -5.802 14.193 1.00 0.00 N ATOM 162 CA ALA A 13 -16.076 -5.834 12.769 1.00 0.00 C ATOM 163 C ALA A 13 -16.399 -4.491 12.123 1.00 0.00 C ATOM 164 O ALA A 13 -16.610 -3.494 12.813 1.00 0.00 O ATOM 165 CB ALA A 13 -16.880 -6.938 12.084 1.00 0.00 C ATOM 0 H ALA A 13 -17.382 -5.865 14.412 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.011 -6.035 12.652 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.641 -6.955 11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.628 -7.901 12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.945 -6.746 12.214 1.00 0.00 H new ATOM 171 N ALA A 14 -16.440 -4.473 10.795 1.00 0.00 N ATOM 172 CA ALA A 14 -16.744 -3.246 10.071 1.00 0.00 C ATOM 173 C ALA A 14 -18.190 -2.829 10.320 1.00 0.00 C ATOM 174 O ALA A 14 -19.043 -2.957 9.443 1.00 0.00 O ATOM 175 CB ALA A 14 -16.519 -3.454 8.573 1.00 0.00 C ATOM 0 H ALA A 14 -16.268 -5.286 10.204 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.082 -2.457 10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.749 -2.532 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.479 -3.727 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.169 -4.252 8.215 1.00 0.00 H new ATOM 181 N ASP A 15 -18.454 -2.335 11.526 1.00 0.00 N ATOM 182 CA ASP A 15 -19.799 -1.902 11.893 1.00 0.00 C ATOM 183 C ASP A 15 -20.595 -1.503 10.655 1.00 0.00 C ATOM 184 O ASP A 15 -21.467 -2.243 10.200 1.00 0.00 O ATOM 185 CB ASP A 15 -19.721 -0.716 12.856 1.00 0.00 C ATOM 186 CG ASP A 15 -19.361 -1.203 14.255 1.00 0.00 C ATOM 187 OD1 ASP A 15 -18.190 -1.448 14.493 1.00 0.00 O ATOM 188 OD2 ASP A 15 -20.262 -1.325 15.069 1.00 0.00 O ATOM 0 H ASP A 15 -17.758 -2.225 12.263 1.00 0.00 H new ATOM 0 HA ASP A 15 -20.306 -2.735 12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.975 -0.002 12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -20.677 -0.192 12.879 1.00 0.00 H new ATOM 193 N GLY A 16 -20.291 -0.329 10.113 1.00 0.00 N ATOM 194 CA GLY A 16 -20.987 0.155 8.927 1.00 0.00 C ATOM 195 C GLY A 16 -21.257 1.652 9.027 1.00 0.00 C ATOM 196 O GLY A 16 -21.683 2.282 8.059 1.00 0.00 O ATOM 0 H GLY A 16 -19.573 0.301 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.389 -0.052 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.929 -0.381 8.809 1.00 0.00 H new ATOM 200 N HIS A 17 -21.004 2.216 10.202 1.00 0.00 N ATOM 201 CA HIS A 17 -21.219 3.642 10.413 1.00 0.00 C ATOM 202 C HIS A 17 -20.055 4.445 9.844 1.00 0.00 C ATOM 203 O HIS A 17 -18.924 3.963 9.790 1.00 0.00 O ATOM 204 CB HIS A 17 -21.361 3.933 11.909 1.00 0.00 C ATOM 205 CG HIS A 17 -20.024 3.773 12.579 1.00 0.00 C ATOM 206 ND1 HIS A 17 -19.435 2.534 12.769 1.00 0.00 N ATOM 207 CD2 HIS A 17 -19.147 4.689 13.107 1.00 0.00 C ATOM 208 CE1 HIS A 17 -18.256 2.733 13.387 1.00 0.00 C ATOM 209 NE2 HIS A 17 -18.032 4.030 13.616 1.00 0.00 N ATOM 0 H HIS A 17 -20.653 1.713 11.017 1.00 0.00 H new ATOM 0 HA HIS A 17 -22.135 3.935 9.899 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -21.737 4.945 12.060 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -22.087 3.254 12.355 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.300 5.758 13.124 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -17.575 1.942 13.664 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -17.218 4.448 14.067 1.00 0.00 H new ATOM 217 N GLY A 18 -20.339 5.672 9.419 1.00 0.00 N ATOM 218 CA GLY A 18 -19.305 6.530 8.854 1.00 0.00 C ATOM 219 C GLY A 18 -19.824 7.272 7.628 1.00 0.00 C ATOM 220 O GLY A 18 -20.262 6.655 6.657 1.00 0.00 O ATOM 0 H GLY A 18 -21.268 6.091 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.972 7.247 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.438 5.929 8.580 1.00 0.00 H new ATOM 224 N SER A 19 -19.771 8.598 7.681 1.00 0.00 N ATOM 225 CA SER A 19 -20.241 9.417 6.569 1.00 0.00 C ATOM 226 C SER A 19 -19.122 9.639 5.558 1.00 0.00 C ATOM 227 O SER A 19 -17.989 9.205 5.768 1.00 0.00 O ATOM 228 CB SER A 19 -20.737 10.767 7.087 1.00 0.00 C ATOM 229 OG SER A 19 -21.715 11.283 6.194 1.00 0.00 O ATOM 0 H SER A 19 -19.410 9.126 8.476 1.00 0.00 H new ATOM 0 HA SER A 19 -21.061 8.893 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 19 -21.163 10.653 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.904 11.464 7.174 1.00 0.00 H new ATOM 0 HG SER A 19 -22.036 12.148 6.525 1.00 0.00 H new ATOM 235 N SER A 20 -19.447 10.319 4.463 1.00 0.00 N ATOM 236 CA SER A 20 -18.461 10.594 3.425 1.00 0.00 C ATOM 237 C SER A 20 -18.788 11.902 2.712 1.00 0.00 C ATOM 238 O SER A 20 -19.798 12.005 2.016 1.00 0.00 O ATOM 239 CB SER A 20 -18.436 9.451 2.411 1.00 0.00 C ATOM 240 OG SER A 20 -18.065 9.964 1.138 1.00 0.00 O ATOM 0 H SER A 20 -20.379 10.687 4.272 1.00 0.00 H new ATOM 0 HA SER A 20 -17.481 10.683 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.729 8.684 2.727 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.416 8.978 2.354 1.00 0.00 H new ATOM 0 HG SER A 20 -18.046 9.234 0.484 1.00 0.00 H new ATOM 246 N CYS A 21 -17.930 12.900 2.890 1.00 0.00 N ATOM 247 CA CYS A 21 -18.144 14.196 2.258 1.00 0.00 C ATOM 248 C CYS A 21 -16.901 14.638 1.493 1.00 0.00 C ATOM 249 O CYS A 21 -15.773 14.363 1.904 1.00 0.00 O ATOM 250 CB CYS A 21 -18.490 15.239 3.322 1.00 0.00 C ATOM 251 SG CYS A 21 -20.020 16.086 2.857 1.00 0.00 S ATOM 0 H CYS A 21 -17.087 12.838 3.461 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.970 14.103 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.608 14.759 4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.678 15.959 3.419 1.00 0.00 H new ATOM 0 HG CYS A 21 -19.747 17.302 2.486 1.00 0.00 H new ATOM 257 N GLN A 22 -17.118 15.328 0.377 1.00 0.00 N ATOM 258 CA GLN A 22 -16.013 15.811 -0.446 1.00 0.00 C ATOM 259 C GLN A 22 -14.955 16.487 0.418 1.00 0.00 C ATOM 260 O GLN A 22 -13.850 16.770 -0.046 1.00 0.00 O ATOM 261 CB GLN A 22 -16.533 16.803 -1.487 1.00 0.00 C ATOM 262 CG GLN A 22 -16.674 16.100 -2.839 1.00 0.00 C ATOM 263 CD GLN A 22 -16.996 17.118 -3.928 1.00 0.00 C ATOM 264 OE1 GLN A 22 -16.272 18.100 -4.094 1.00 0.00 O ATOM 265 NE2 GLN A 22 -18.044 16.941 -4.684 1.00 0.00 N ATOM 0 H GLN A 22 -18.045 15.565 0.023 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.561 14.957 -0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.496 17.205 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.849 17.647 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.750 15.575 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -17.463 15.350 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.642 16.127 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.266 17.617 -5.415 1.00 0.00 H new ATOM 274 N MET A 23 -15.303 16.750 1.672 1.00 0.00 N ATOM 275 CA MET A 23 -14.377 17.402 2.591 1.00 0.00 C ATOM 276 C MET A 23 -13.181 16.512 2.877 1.00 0.00 C ATOM 277 O MET A 23 -12.034 16.953 2.829 1.00 0.00 O ATOM 278 CB MET A 23 -15.086 17.731 3.905 1.00 0.00 C ATOM 279 CG MET A 23 -16.139 18.813 3.659 1.00 0.00 C ATOM 280 SD MET A 23 -17.307 18.243 2.399 1.00 0.00 S ATOM 281 CE MET A 23 -16.814 19.393 1.091 1.00 0.00 C ATOM 0 H MET A 23 -16.213 16.524 2.074 1.00 0.00 H new ATOM 0 HA MET A 23 -14.028 18.322 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.557 16.836 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.363 18.074 4.645 1.00 0.00 H new ATOM 0 HG2 MET A 23 -16.668 19.038 4.585 1.00 0.00 H new ATOM 0 HG3 MET A 23 -15.659 19.736 3.334 1.00 0.00 H new ATOM 0 HE1 MET A 23 -17.369 19.168 0.180 1.00 0.00 H new ATOM 0 HE2 MET A 23 -17.030 20.414 1.404 1.00 0.00 H new ATOM 0 HE3 MET A 23 -15.746 19.290 0.900 1.00 0.00 H new ATOM 291 N LEU A 24 -13.467 15.263 3.187 1.00 0.00 N ATOM 292 CA LEU A 24 -12.421 14.298 3.499 1.00 0.00 C ATOM 293 C LEU A 24 -11.497 14.090 2.310 1.00 0.00 C ATOM 294 O LEU A 24 -10.273 14.135 2.441 1.00 0.00 O ATOM 295 CB LEU A 24 -13.046 12.963 3.913 1.00 0.00 C ATOM 296 CG LEU A 24 -13.828 13.149 5.215 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.323 13.239 4.905 1.00 0.00 C ATOM 298 CD2 LEU A 24 -13.574 11.955 6.139 1.00 0.00 C ATOM 0 H LEU A 24 -14.415 14.888 3.231 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.831 14.693 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.708 12.600 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.268 12.211 4.047 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.501 14.066 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.880 13.371 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.508 14.088 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.649 12.322 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.131 12.088 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.901 11.039 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.509 11.887 6.362 1.00 0.00 H new ATOM 310 N LEU A 25 -12.092 13.868 1.157 1.00 0.00 N ATOM 311 CA LEU A 25 -11.319 13.658 -0.064 1.00 0.00 C ATOM 312 C LEU A 25 -10.504 14.903 -0.390 1.00 0.00 C ATOM 313 O LEU A 25 -9.289 14.830 -0.579 1.00 0.00 O ATOM 314 CB LEU A 25 -12.250 13.335 -1.239 1.00 0.00 C ATOM 315 CG LEU A 25 -13.090 12.088 -0.928 1.00 0.00 C ATOM 316 CD1 LEU A 25 -12.208 11.009 -0.296 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.222 12.447 0.041 1.00 0.00 C ATOM 0 H LEU A 25 -13.104 13.827 1.032 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.645 12.817 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.906 14.183 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.663 13.170 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.515 11.711 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.811 10.128 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.410 10.741 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.774 11.389 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.813 11.557 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.799 12.834 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.861 13.206 -0.411 1.00 0.00 H new ATOM 329 N ASN A 26 -11.174 16.050 -0.450 1.00 0.00 N ATOM 330 CA ASN A 26 -10.490 17.301 -0.748 1.00 0.00 C ATOM 331 C ASN A 26 -9.321 17.498 0.205 1.00 0.00 C ATOM 332 O ASN A 26 -8.211 17.836 -0.204 1.00 0.00 O ATOM 333 CB ASN A 26 -11.462 18.475 -0.628 1.00 0.00 C ATOM 334 CG ASN A 26 -10.866 19.714 -1.285 1.00 0.00 C ATOM 335 OD1 ASN A 26 -9.732 19.621 -1.924 1.00 0.00 O flip ATOM 336 ND2 ASN A 26 -11.448 20.797 -1.213 1.00 0.00 N flip ATOM 0 H ASN A 26 -12.179 16.138 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.112 17.258 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.410 18.222 -1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.674 18.676 0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -12.334 20.867 -0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.044 21.623 -1.653 1.00 0.00 H new ATOM 343 N GLN A 27 -9.586 17.264 1.477 1.00 0.00 N ATOM 344 CA GLN A 27 -8.558 17.397 2.501 1.00 0.00 C ATOM 345 C GLN A 27 -7.381 16.490 2.172 1.00 0.00 C ATOM 346 O GLN A 27 -6.252 16.951 2.004 1.00 0.00 O ATOM 347 CB GLN A 27 -9.127 17.020 3.871 1.00 0.00 C ATOM 348 CG GLN A 27 -9.301 18.279 4.724 1.00 0.00 C ATOM 349 CD GLN A 27 -7.939 18.900 5.021 1.00 0.00 C ATOM 350 OE1 GLN A 27 -7.171 18.363 5.818 1.00 0.00 O ATOM 351 NE2 GLN A 27 -7.594 20.010 4.426 1.00 0.00 N ATOM 0 H GLN A 27 -10.501 16.981 1.828 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.221 18.433 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.086 16.516 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.459 16.319 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.932 18.998 4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.807 18.029 5.656 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.232 20.454 3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.687 20.433 4.622 1.00 0.00 H new ATOM 360 N LEU A 28 -7.658 15.196 2.069 1.00 0.00 N ATOM 361 CA LEU A 28 -6.617 14.230 1.749 1.00 0.00 C ATOM 362 C LEU A 28 -5.751 14.756 0.611 1.00 0.00 C ATOM 363 O LEU A 28 -4.530 14.839 0.733 1.00 0.00 O ATOM 364 CB LEU A 28 -7.256 12.905 1.333 1.00 0.00 C ATOM 365 CG LEU A 28 -6.219 11.788 1.428 1.00 0.00 C ATOM 366 CD1 LEU A 28 -5.999 11.424 2.898 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.727 10.561 0.667 1.00 0.00 C ATOM 0 H LEU A 28 -8.586 14.795 2.201 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.994 14.073 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.107 12.681 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.637 12.977 0.314 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.277 12.122 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.259 10.627 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.642 12.300 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.939 11.086 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.989 9.761 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.667 10.225 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.887 10.822 -0.379 1.00 0.00 H new ATOM 379 N ARG A 29 -6.395 15.115 -0.494 1.00 0.00 N ATOM 380 CA ARG A 29 -5.676 15.637 -1.649 1.00 0.00 C ATOM 381 C ARG A 29 -4.978 16.946 -1.293 1.00 0.00 C ATOM 382 O ARG A 29 -3.996 17.328 -1.926 1.00 0.00 O ATOM 383 CB ARG A 29 -6.653 15.872 -2.806 1.00 0.00 C ATOM 384 CG ARG A 29 -6.118 16.982 -3.715 1.00 0.00 C ATOM 385 CD ARG A 29 -6.868 16.968 -5.049 1.00 0.00 C ATOM 386 NE ARG A 29 -6.003 17.465 -6.113 1.00 0.00 N ATOM 387 CZ ARG A 29 -5.588 18.729 -6.129 1.00 0.00 C ATOM 388 NH1 ARG A 29 -5.961 19.551 -5.187 1.00 0.00 N ATOM 389 NH2 ARG A 29 -4.809 19.150 -7.088 1.00 0.00 N ATOM 0 H ARG A 29 -7.406 15.055 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.924 14.908 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.784 14.953 -3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.633 16.148 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.238 17.951 -3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.051 16.841 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.197 15.955 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.763 17.586 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.711 16.832 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.571 19.225 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.642 20.520 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.518 18.510 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.492 20.119 -7.099 1.00 0.00 H new ATOM 403 N GLU A 30 -5.492 17.630 -0.279 1.00 0.00 N ATOM 404 CA GLU A 30 -4.906 18.896 0.143 1.00 0.00 C ATOM 405 C GLU A 30 -3.668 18.650 0.995 1.00 0.00 C ATOM 406 O GLU A 30 -2.815 19.524 1.140 1.00 0.00 O ATOM 407 CB GLU A 30 -5.927 19.706 0.943 1.00 0.00 C ATOM 408 CG GLU A 30 -5.447 21.153 1.063 1.00 0.00 C ATOM 409 CD GLU A 30 -6.286 21.902 2.094 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.498 21.771 2.050 1.00 0.00 O ATOM 411 OE2 GLU A 30 -5.703 22.596 2.910 1.00 0.00 O ATOM 0 H GLU A 30 -6.305 17.334 0.262 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.618 19.457 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.899 19.674 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.057 19.271 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.397 21.173 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.519 21.649 0.095 1.00 0.00 H new ATOM 418 N ILE A 31 -3.584 17.453 1.562 1.00 0.00 N ATOM 419 CA ILE A 31 -2.451 17.097 2.406 1.00 0.00 C ATOM 420 C ILE A 31 -1.375 16.388 1.609 1.00 0.00 C ATOM 421 O ILE A 31 -0.183 16.656 1.761 1.00 0.00 O ATOM 422 CB ILE A 31 -2.910 16.174 3.529 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.022 16.857 4.320 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.727 15.873 4.446 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.514 15.931 5.434 1.00 0.00 C ATOM 0 H ILE A 31 -4.282 16.717 1.454 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.041 18.020 2.816 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.289 15.241 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.656 17.791 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.848 17.112 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.050 15.213 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.937 15.387 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.349 16.804 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.308 16.425 5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.898 15.009 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.687 15.698 6.105 1.00 0.00 H new ATOM 437 N THR A 32 -1.813 15.466 0.784 1.00 0.00 N ATOM 438 CA THR A 32 -0.904 14.678 -0.028 1.00 0.00 C ATOM 439 C THR A 32 -0.671 15.327 -1.387 1.00 0.00 C ATOM 440 O THR A 32 0.437 15.284 -1.922 1.00 0.00 O ATOM 441 CB THR A 32 -1.505 13.296 -0.237 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.428 13.363 -1.310 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.236 12.852 1.028 1.00 0.00 C ATOM 0 H THR A 32 -2.799 15.239 0.654 1.00 0.00 H new ATOM 0 HA THR A 32 0.053 14.611 0.490 1.00 0.00 H new ATOM 0 HB THR A 32 -0.714 12.581 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.137 14.004 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.664 11.862 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.534 12.817 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.033 13.560 1.255 1.00 0.00 H new ATOM 451 N GLY A 33 -1.719 15.918 -1.946 1.00 0.00 N ATOM 452 CA GLY A 33 -1.601 16.559 -3.251 1.00 0.00 C ATOM 453 C GLY A 33 -1.838 15.551 -4.368 1.00 0.00 C ATOM 454 O GLY A 33 -1.216 15.627 -5.429 1.00 0.00 O ATOM 0 H GLY A 33 -2.647 15.968 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.322 17.372 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.610 17.001 -3.357 1.00 0.00 H new ATOM 458 N ILE A 34 -2.736 14.603 -4.121 1.00 0.00 N ATOM 459 CA ILE A 34 -3.044 13.577 -5.112 1.00 0.00 C ATOM 460 C ILE A 34 -4.335 13.921 -5.850 1.00 0.00 C ATOM 461 O ILE A 34 -5.280 14.441 -5.257 1.00 0.00 O ATOM 462 CB ILE A 34 -3.182 12.212 -4.431 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.014 12.009 -3.444 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.204 11.111 -5.494 1.00 0.00 C ATOM 465 CD1 ILE A 34 -0.982 11.014 -3.973 1.00 0.00 C ATOM 0 H ILE A 34 -3.260 14.523 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.228 13.535 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.116 12.167 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.530 12.967 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.404 11.654 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.302 10.139 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.049 11.269 -6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.277 11.139 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.178 10.902 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.459 10.048 -4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.572 11.381 -4.914 1.00 0.00 H new ATOM 477 N GLN A 35 -4.362 13.634 -7.147 1.00 0.00 N ATOM 478 CA GLN A 35 -5.537 13.922 -7.963 1.00 0.00 C ATOM 479 C GLN A 35 -6.183 12.631 -8.457 1.00 0.00 C ATOM 480 O GLN A 35 -6.885 12.624 -9.468 1.00 0.00 O ATOM 481 CB GLN A 35 -5.140 14.787 -9.159 1.00 0.00 C ATOM 482 CG GLN A 35 -3.969 15.688 -8.768 1.00 0.00 C ATOM 483 CD GLN A 35 -2.651 14.965 -9.019 1.00 0.00 C ATOM 484 OE1 GLN A 35 -1.526 15.606 -8.859 1.00 0.00 O flip ATOM 485 NE2 GLN A 35 -2.645 13.785 -9.370 1.00 0.00 N flip ATOM 0 H GLN A 35 -3.588 13.204 -7.654 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.259 14.459 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.861 14.155 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.987 15.392 -9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.002 16.612 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.047 15.965 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.526 13.285 -9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.759 13.307 -9.536 1.00 0.00 H new ATOM 494 N ASP A 36 -5.934 11.541 -7.740 1.00 0.00 N ATOM 495 CA ASP A 36 -6.492 10.247 -8.113 1.00 0.00 C ATOM 496 C ASP A 36 -7.514 9.789 -7.075 1.00 0.00 C ATOM 497 O ASP A 36 -7.252 8.872 -6.297 1.00 0.00 O ATOM 498 CB ASP A 36 -5.371 9.211 -8.215 1.00 0.00 C ATOM 499 CG ASP A 36 -5.855 7.991 -8.994 1.00 0.00 C ATOM 500 OD1 ASP A 36 -6.824 8.122 -9.721 1.00 0.00 O ATOM 501 OD2 ASP A 36 -5.247 6.943 -8.850 1.00 0.00 O ATOM 0 H ASP A 36 -5.353 11.527 -6.902 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.988 10.346 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.505 9.649 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.050 8.911 -7.217 1.00 0.00 H new ATOM 506 N PRO A 37 -8.663 10.409 -7.049 1.00 0.00 N ATOM 507 CA PRO A 37 -9.743 10.066 -6.088 1.00 0.00 C ATOM 508 C PRO A 37 -9.796 8.578 -5.786 1.00 0.00 C ATOM 509 O PRO A 37 -10.317 8.151 -4.757 1.00 0.00 O ATOM 510 CB PRO A 37 -10.989 10.517 -6.824 1.00 0.00 C ATOM 511 CG PRO A 37 -10.557 11.714 -7.609 1.00 0.00 C ATOM 512 CD PRO A 37 -9.074 11.508 -7.939 1.00 0.00 C ATOM 0 HA PRO A 37 -9.607 10.536 -5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.369 9.731 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.790 10.768 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.147 11.813 -8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.703 12.628 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.930 11.248 -8.988 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.494 12.412 -7.752 1.00 0.00 H new ATOM 520 N SER A 38 -9.251 7.804 -6.701 1.00 0.00 N ATOM 521 CA SER A 38 -9.223 6.355 -6.556 1.00 0.00 C ATOM 522 C SER A 38 -8.197 5.931 -5.506 1.00 0.00 C ATOM 523 O SER A 38 -8.521 5.195 -4.570 1.00 0.00 O ATOM 524 CB SER A 38 -8.876 5.706 -7.895 1.00 0.00 C ATOM 525 OG SER A 38 -10.074 5.348 -8.569 1.00 0.00 O ATOM 0 H SER A 38 -8.819 8.151 -7.557 1.00 0.00 H new ATOM 0 HA SER A 38 -10.210 6.026 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.294 6.396 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.258 4.823 -7.734 1.00 0.00 H new ATOM 0 HG SER A 38 -9.854 4.933 -9.429 1.00 0.00 H new ATOM 531 N PHE A 39 -6.959 6.403 -5.653 1.00 0.00 N ATOM 532 CA PHE A 39 -5.920 6.054 -4.703 1.00 0.00 C ATOM 533 C PHE A 39 -6.178 6.787 -3.389 1.00 0.00 C ATOM 534 O PHE A 39 -5.801 6.323 -2.306 1.00 0.00 O ATOM 535 CB PHE A 39 -4.550 6.397 -5.316 1.00 0.00 C ATOM 536 CG PHE A 39 -3.676 7.130 -4.338 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.082 8.362 -3.831 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.447 6.582 -3.953 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.268 9.049 -2.945 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.631 7.277 -3.059 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.047 8.513 -2.562 1.00 0.00 C ATOM 0 H PHE A 39 -6.661 7.018 -6.410 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.925 4.986 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.053 5.480 -5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.692 7.008 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.032 8.782 -4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.132 5.627 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.585 10.004 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.683 6.860 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.415 9.056 -1.875 1.00 0.00 H new ATOM 551 N LEU A 40 -6.866 7.923 -3.490 1.00 0.00 N ATOM 552 CA LEU A 40 -7.208 8.695 -2.309 1.00 0.00 C ATOM 553 C LEU A 40 -8.286 7.946 -1.547 1.00 0.00 C ATOM 554 O LEU A 40 -8.140 7.655 -0.361 1.00 0.00 O ATOM 555 CB LEU A 40 -7.718 10.086 -2.699 1.00 0.00 C ATOM 556 CG LEU A 40 -6.541 10.967 -3.140 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.573 11.195 -4.655 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.617 12.317 -2.425 1.00 0.00 C ATOM 0 H LEU A 40 -7.192 8.322 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.322 8.824 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.445 10.003 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.231 10.545 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.612 10.459 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.730 11.822 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.507 10.236 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.505 11.690 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.781 12.942 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.555 12.811 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.569 12.161 -1.347 1.00 0.00 H new ATOM 570 N HIS A 41 -9.361 7.607 -2.255 1.00 0.00 N ATOM 571 CA HIS A 41 -10.446 6.858 -1.646 1.00 0.00 C ATOM 572 C HIS A 41 -9.915 5.521 -1.157 1.00 0.00 C ATOM 573 O HIS A 41 -10.455 4.931 -0.222 1.00 0.00 O ATOM 574 CB HIS A 41 -11.575 6.634 -2.651 1.00 0.00 C ATOM 575 CG HIS A 41 -12.817 6.206 -1.916 1.00 0.00 C ATOM 576 ND1 HIS A 41 -12.908 4.983 -1.270 1.00 0.00 N ATOM 577 CD2 HIS A 41 -14.023 6.829 -1.708 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.130 4.910 -0.709 1.00 0.00 C ATOM 579 NE2 HIS A 41 -14.849 6.010 -0.945 1.00 0.00 N ATOM 0 H HIS A 41 -9.499 7.838 -3.239 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.844 7.426 -0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.767 7.550 -3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.287 5.873 -3.376 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.181 4.268 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -14.290 7.807 -2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.485 4.065 -0.138 1.00 0.00 H new ATOM 587 N GLU A 42 -8.827 5.058 -1.776 1.00 0.00 N ATOM 588 CA GLU A 42 -8.221 3.804 -1.359 1.00 0.00 C ATOM 589 C GLU A 42 -7.679 3.991 0.044 1.00 0.00 C ATOM 590 O GLU A 42 -7.899 3.167 0.930 1.00 0.00 O ATOM 591 CB GLU A 42 -7.089 3.410 -2.308 1.00 0.00 C ATOM 592 CG GLU A 42 -6.396 2.150 -1.785 1.00 0.00 C ATOM 593 CD GLU A 42 -5.257 1.760 -2.720 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.521 1.055 -3.681 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.138 2.173 -2.464 1.00 0.00 O ATOM 0 H GLU A 42 -8.359 5.526 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.966 3.008 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.485 3.231 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.370 4.225 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.010 2.327 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.114 1.333 -1.711 1.00 0.00 H new ATOM 602 N ALA A 43 -6.986 5.108 0.238 1.00 0.00 N ATOM 603 CA ALA A 43 -6.434 5.427 1.545 1.00 0.00 C ATOM 604 C ALA A 43 -7.556 5.569 2.566 1.00 0.00 C ATOM 605 O ALA A 43 -7.521 4.952 3.627 1.00 0.00 O ATOM 606 CB ALA A 43 -5.654 6.736 1.477 1.00 0.00 C ATOM 0 H ALA A 43 -6.796 5.800 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.767 4.619 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.244 6.967 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.840 6.638 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.320 7.540 1.163 1.00 0.00 H new ATOM 612 N LEU A 44 -8.551 6.386 2.236 1.00 0.00 N ATOM 613 CA LEU A 44 -9.680 6.603 3.134 1.00 0.00 C ATOM 614 C LEU A 44 -10.325 5.268 3.503 1.00 0.00 C ATOM 615 O LEU A 44 -10.780 5.077 4.631 1.00 0.00 O ATOM 616 CB LEU A 44 -10.721 7.506 2.460 1.00 0.00 C ATOM 617 CG LEU A 44 -10.365 8.983 2.674 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.296 9.294 4.169 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.010 9.282 2.029 1.00 0.00 C ATOM 0 H LEU A 44 -8.599 6.906 1.360 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.316 7.087 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.766 7.287 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.710 7.300 2.870 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.134 9.604 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.043 10.345 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.263 9.089 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.533 8.671 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.758 10.331 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.244 8.655 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.062 9.073 0.960 1.00 0.00 H new ATOM 631 N LYS A 45 -10.359 4.351 2.542 1.00 0.00 N ATOM 632 CA LYS A 45 -10.950 3.035 2.765 1.00 0.00 C ATOM 633 C LYS A 45 -10.002 2.155 3.579 1.00 0.00 C ATOM 634 O LYS A 45 -10.440 1.270 4.314 1.00 0.00 O ATOM 635 CB LYS A 45 -11.267 2.389 1.405 1.00 0.00 C ATOM 636 CG LYS A 45 -11.090 0.865 1.454 1.00 0.00 C ATOM 637 CD LYS A 45 -9.658 0.502 1.050 1.00 0.00 C ATOM 638 CE LYS A 45 -9.462 -1.010 1.161 1.00 0.00 C ATOM 639 NZ LYS A 45 -8.075 -1.363 0.749 1.00 0.00 N ATOM 0 H LYS A 45 -9.986 4.493 1.604 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.874 3.141 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.290 2.629 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.613 2.808 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.300 0.496 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.801 0.384 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.463 0.830 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.946 1.019 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.643 -1.337 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.183 -1.528 0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.942 -2.392 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.919 -1.065 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.395 -0.879 1.369 1.00 0.00 H new ATOM 653 N ALA A 46 -8.703 2.404 3.448 1.00 0.00 N ATOM 654 CA ALA A 46 -7.710 1.624 4.179 1.00 0.00 C ATOM 655 C ALA A 46 -7.532 2.166 5.593 1.00 0.00 C ATOM 656 O ALA A 46 -7.051 1.465 6.483 1.00 0.00 O ATOM 657 CB ALA A 46 -6.372 1.666 3.442 1.00 0.00 C ATOM 0 H ALA A 46 -8.316 3.133 2.848 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.060 0.594 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.635 1.082 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.494 1.248 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.032 2.699 3.364 1.00 0.00 H new ATOM 663 N SER A 47 -7.919 3.420 5.790 1.00 0.00 N ATOM 664 CA SER A 47 -7.796 4.054 7.095 1.00 0.00 C ATOM 665 C SER A 47 -9.087 3.891 7.888 1.00 0.00 C ATOM 666 O SER A 47 -9.152 4.241 9.067 1.00 0.00 O ATOM 667 CB SER A 47 -7.482 5.537 6.918 1.00 0.00 C ATOM 668 OG SER A 47 -7.417 6.157 8.192 1.00 0.00 O ATOM 0 H SER A 47 -8.319 4.016 5.065 1.00 0.00 H new ATOM 0 HA SER A 47 -6.986 3.575 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.535 5.660 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.250 6.013 6.308 1.00 0.00 H new ATOM 0 HG SER A 47 -7.339 7.127 8.080 1.00 0.00 H new ATOM 674 N ASN A 48 -10.109 3.353 7.233 1.00 0.00 N ATOM 675 CA ASN A 48 -11.394 3.141 7.884 1.00 0.00 C ATOM 676 C ASN A 48 -12.147 4.457 8.052 1.00 0.00 C ATOM 677 O ASN A 48 -12.973 4.598 8.952 1.00 0.00 O ATOM 678 CB ASN A 48 -11.180 2.494 9.252 1.00 0.00 C ATOM 679 CG ASN A 48 -10.033 1.491 9.180 1.00 0.00 C ATOM 680 OD1 ASN A 48 -9.559 1.135 8.017 1.00 0.00 O flip ATOM 681 ND2 ASN A 48 -9.555 1.018 10.211 1.00 0.00 N flip ATOM 0 H ASN A 48 -10.073 3.057 6.257 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.991 2.481 7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.958 3.260 9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.093 1.993 9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.926 1.297 11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.788 0.348 10.157 1.00 0.00 H new ATOM 688 N GLY A 49 -11.862 5.416 7.176 1.00 0.00 N ATOM 689 CA GLY A 49 -12.527 6.712 7.238 1.00 0.00 C ATOM 690 C GLY A 49 -11.624 7.769 7.867 1.00 0.00 C ATOM 691 O GLY A 49 -11.821 8.967 7.659 1.00 0.00 O ATOM 0 H GLY A 49 -11.182 5.321 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.812 7.025 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.446 6.624 7.817 1.00 0.00 H new ATOM 695 N ASP A 50 -10.635 7.325 8.634 1.00 0.00 N ATOM 696 CA ASP A 50 -9.713 8.253 9.279 1.00 0.00 C ATOM 697 C ASP A 50 -8.859 8.955 8.228 1.00 0.00 C ATOM 698 O ASP A 50 -8.192 8.306 7.425 1.00 0.00 O ATOM 699 CB ASP A 50 -8.814 7.507 10.268 1.00 0.00 C ATOM 700 CG ASP A 50 -9.438 7.531 11.659 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.656 7.493 11.741 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.691 7.587 12.621 1.00 0.00 O ATOM 0 H ASP A 50 -10.452 6.340 8.823 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.292 8.999 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.675 6.477 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.827 7.969 10.295 1.00 0.00 H new ATOM 707 N ILE A 51 -8.897 10.285 8.229 1.00 0.00 N ATOM 708 CA ILE A 51 -8.134 11.060 7.256 1.00 0.00 C ATOM 709 C ILE A 51 -6.649 11.080 7.614 1.00 0.00 C ATOM 710 O ILE A 51 -5.807 10.692 6.806 1.00 0.00 O ATOM 711 CB ILE A 51 -8.700 12.489 7.167 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.709 12.951 5.707 1.00 0.00 C ATOM 713 CG2 ILE A 51 -7.857 13.464 7.996 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.594 14.192 5.572 1.00 0.00 C ATOM 0 H ILE A 51 -9.442 10.843 8.886 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.228 10.585 6.279 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.716 12.478 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.694 13.177 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.081 12.154 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.277 14.467 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.860 13.151 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.833 13.469 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.602 14.522 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.610 13.950 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.202 14.989 6.203 1.00 0.00 H new ATOM 726 N THR A 52 -6.328 11.526 8.824 1.00 0.00 N ATOM 727 CA THR A 52 -4.936 11.585 9.257 1.00 0.00 C ATOM 728 C THR A 52 -4.212 10.291 8.915 1.00 0.00 C ATOM 729 O THR A 52 -3.155 10.308 8.292 1.00 0.00 O ATOM 730 CB THR A 52 -4.854 11.823 10.761 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.300 13.139 11.058 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.403 11.657 11.208 1.00 0.00 C ATOM 0 H THR A 52 -7.004 11.849 9.516 1.00 0.00 H new ATOM 0 HA THR A 52 -4.458 12.413 8.733 1.00 0.00 H new ATOM 0 HB THR A 52 -5.485 11.106 11.286 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.249 13.291 12.025 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.332 11.825 12.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.064 10.648 10.975 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.776 12.380 10.686 1.00 0.00 H new ATOM 740 N GLN A 53 -4.778 9.166 9.321 1.00 0.00 N ATOM 741 CA GLN A 53 -4.150 7.890 9.027 1.00 0.00 C ATOM 742 C GLN A 53 -4.024 7.725 7.520 1.00 0.00 C ATOM 743 O GLN A 53 -2.931 7.499 7.004 1.00 0.00 O ATOM 744 CB GLN A 53 -4.970 6.741 9.607 1.00 0.00 C ATOM 745 CG GLN A 53 -4.512 6.446 11.037 1.00 0.00 C ATOM 746 CD GLN A 53 -5.055 5.095 11.489 1.00 0.00 C ATOM 747 OE1 GLN A 53 -6.065 4.624 10.964 1.00 0.00 O ATOM 748 NE2 GLN A 53 -4.442 4.438 12.435 1.00 0.00 N ATOM 0 H GLN A 53 -5.652 9.110 9.844 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.160 7.871 9.483 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.029 6.999 9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.855 5.851 8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.423 6.445 11.086 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.860 7.231 11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.606 4.830 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.799 3.533 12.741 1.00 0.00 H new ATOM 757 N ALA A 54 -5.145 7.873 6.813 1.00 0.00 N ATOM 758 CA ALA A 54 -5.128 7.756 5.360 1.00 0.00 C ATOM 759 C ALA A 54 -3.891 8.448 4.830 1.00 0.00 C ATOM 760 O ALA A 54 -3.081 7.859 4.115 1.00 0.00 O ATOM 761 CB ALA A 54 -6.380 8.400 4.762 1.00 0.00 C ATOM 0 H ALA A 54 -6.060 8.071 7.217 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.114 6.703 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.355 8.306 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.267 7.899 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.412 9.455 5.034 1.00 0.00 H new ATOM 767 N VAL A 55 -3.743 9.695 5.229 1.00 0.00 N ATOM 768 CA VAL A 55 -2.589 10.485 4.843 1.00 0.00 C ATOM 769 C VAL A 55 -1.333 9.667 5.073 1.00 0.00 C ATOM 770 O VAL A 55 -0.564 9.390 4.152 1.00 0.00 O ATOM 771 CB VAL A 55 -2.538 11.755 5.694 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.407 12.658 5.219 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.874 12.493 5.591 1.00 0.00 C ATOM 0 H VAL A 55 -4.411 10.186 5.824 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.661 10.759 3.790 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.356 11.483 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.379 13.559 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.458 12.130 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.573 12.932 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.837 13.398 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.063 12.760 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.675 11.847 5.951 1.00 0.00 H new ATOM 783 N SER A 56 -1.161 9.268 6.318 1.00 0.00 N ATOM 784 CA SER A 56 -0.019 8.459 6.713 1.00 0.00 C ATOM 785 C SER A 56 0.190 7.322 5.721 1.00 0.00 C ATOM 786 O SER A 56 1.303 7.093 5.249 1.00 0.00 O ATOM 787 CB SER A 56 -0.255 7.893 8.110 1.00 0.00 C ATOM 788 OG SER A 56 0.993 7.533 8.688 1.00 0.00 O ATOM 0 H SER A 56 -1.801 9.492 7.080 1.00 0.00 H new ATOM 0 HA SER A 56 0.874 9.083 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.758 8.632 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.909 7.022 8.057 1.00 0.00 H new ATOM 0 HG SER A 56 0.845 7.171 9.586 1.00 0.00 H new ATOM 794 N LEU A 57 -0.887 6.614 5.407 1.00 0.00 N ATOM 795 CA LEU A 57 -0.804 5.505 4.465 1.00 0.00 C ATOM 796 C LEU A 57 -0.374 5.988 3.092 1.00 0.00 C ATOM 797 O LEU A 57 0.205 5.240 2.306 1.00 0.00 O ATOM 798 CB LEU A 57 -2.162 4.822 4.340 1.00 0.00 C ATOM 799 CG LEU A 57 -2.440 4.002 5.594 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.963 4.918 6.698 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.490 2.935 5.276 1.00 0.00 C ATOM 0 H LEU A 57 -1.819 6.785 5.786 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.064 4.801 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.944 5.568 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.176 4.177 3.461 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.520 3.523 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.162 4.331 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.217 5.681 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.884 5.397 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.692 2.346 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.409 3.417 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.117 2.281 4.487 1.00 0.00 H new ATOM 813 N LEU A 58 -0.690 7.235 2.800 1.00 0.00 N ATOM 814 CA LEU A 58 -0.359 7.801 1.494 1.00 0.00 C ATOM 815 C LEU A 58 1.013 8.469 1.468 1.00 0.00 C ATOM 816 O LEU A 58 1.543 8.755 0.394 1.00 0.00 O ATOM 817 CB LEU A 58 -1.434 8.800 1.056 1.00 0.00 C ATOM 818 CG LEU A 58 -2.796 8.093 1.013 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.916 9.124 0.846 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.842 7.102 -0.159 1.00 0.00 C ATOM 0 H LEU A 58 -1.169 7.873 3.435 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.324 6.967 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.469 9.641 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.191 9.206 0.074 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.936 7.552 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.879 8.614 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.899 9.819 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.768 9.674 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.813 6.607 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.689 7.639 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.057 6.356 -0.036 1.00 0.00 H new ATOM 832 N THR A 59 1.594 8.714 2.631 1.00 0.00 N ATOM 833 CA THR A 59 2.912 9.347 2.676 1.00 0.00 C ATOM 834 C THR A 59 3.945 8.433 3.331 1.00 0.00 C ATOM 835 O THR A 59 5.115 8.796 3.450 1.00 0.00 O ATOM 836 CB THR A 59 2.840 10.673 3.435 1.00 0.00 C ATOM 837 OG1 THR A 59 4.094 10.935 4.050 1.00 0.00 O ATOM 838 CG2 THR A 59 1.754 10.590 4.501 1.00 0.00 C ATOM 0 H THR A 59 1.189 8.492 3.541 1.00 0.00 H new ATOM 0 HA THR A 59 3.224 9.536 1.649 1.00 0.00 H new ATOM 0 HB THR A 59 2.603 11.478 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.807 10.499 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.702 11.535 5.042 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.793 10.391 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.989 9.785 5.198 1.00 0.00 H new ATOM 846 N ASP A 60 3.513 7.250 3.750 1.00 0.00 N ATOM 847 CA ASP A 60 4.419 6.298 4.385 1.00 0.00 C ATOM 848 C ASP A 60 5.491 5.834 3.397 1.00 0.00 C ATOM 849 O ASP A 60 6.031 4.736 3.524 1.00 0.00 O ATOM 850 CB ASP A 60 3.632 5.089 4.896 1.00 0.00 C ATOM 851 CG ASP A 60 3.931 4.854 6.374 1.00 0.00 C ATOM 852 OD1 ASP A 60 3.271 5.466 7.197 1.00 0.00 O ATOM 853 OD2 ASP A 60 4.815 4.063 6.659 1.00 0.00 O ATOM 0 H ASP A 60 2.549 6.928 3.663 1.00 0.00 H new ATOM 0 HA ASP A 60 4.907 6.794 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.564 5.255 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.896 4.203 4.318 1.00 0.00 H new ATOM 858 N GLU A 61 5.799 6.686 2.423 1.00 0.00 N ATOM 859 CA GLU A 61 6.812 6.369 1.425 1.00 0.00 C ATOM 860 C GLU A 61 6.257 5.443 0.343 1.00 0.00 C ATOM 861 O GLU A 61 6.963 4.566 -0.154 1.00 0.00 O ATOM 862 CB GLU A 61 8.007 5.709 2.103 1.00 0.00 C ATOM 863 CG GLU A 61 9.262 5.930 1.254 1.00 0.00 C ATOM 864 CD GLU A 61 10.153 6.982 1.906 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.567 6.762 3.033 1.00 0.00 O ATOM 866 OE2 GLU A 61 10.407 7.991 1.271 1.00 0.00 O ATOM 0 H GLU A 61 5.361 7.600 2.305 1.00 0.00 H new ATOM 0 HA GLU A 61 7.123 7.298 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.150 6.128 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.824 4.642 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.809 4.993 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.981 6.250 0.251 1.00 0.00 H new ATOM 873 N ARG A 62 4.995 5.648 -0.025 1.00 0.00 N ATOM 874 CA ARG A 62 4.372 4.826 -1.061 1.00 0.00 C ATOM 875 C ARG A 62 4.551 5.469 -2.425 1.00 0.00 C ATOM 876 O ARG A 62 5.024 4.841 -3.371 1.00 0.00 O ATOM 877 CB ARG A 62 2.878 4.635 -0.780 1.00 0.00 C ATOM 878 CG ARG A 62 2.393 5.678 0.224 1.00 0.00 C ATOM 879 CD ARG A 62 2.691 5.198 1.644 1.00 0.00 C ATOM 880 NE ARG A 62 2.012 3.930 1.898 1.00 0.00 N ATOM 881 CZ ARG A 62 2.675 2.844 2.299 1.00 0.00 C ATOM 882 NH1 ARG A 62 3.970 2.884 2.481 1.00 0.00 N ATOM 883 NH2 ARG A 62 2.027 1.733 2.513 1.00 0.00 N ATOM 0 H ARG A 62 4.389 6.366 0.372 1.00 0.00 H new ATOM 0 HA ARG A 62 4.860 3.851 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.312 4.722 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.699 3.633 -0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.887 6.632 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.323 5.845 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.766 5.077 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.363 5.946 2.366 1.00 0.00 H new ATOM 0 HE ARG A 62 1.002 3.873 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.482 3.751 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.468 2.048 2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.017 1.697 2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.530 0.900 2.820 1.00 0.00 H new ATOM 897 N VAL A 63 4.172 6.729 -2.506 1.00 0.00 N ATOM 898 CA VAL A 63 4.290 7.481 -3.745 1.00 0.00 C ATOM 899 C VAL A 63 5.597 8.266 -3.744 1.00 0.00 C ATOM 900 O VAL A 63 6.675 7.689 -3.873 1.00 0.00 O ATOM 901 CB VAL A 63 3.096 8.431 -3.887 1.00 0.00 C ATOM 902 CG1 VAL A 63 3.183 9.175 -5.221 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.796 7.623 -3.844 1.00 0.00 C ATOM 0 H VAL A 63 3.778 7.257 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 63 4.293 6.794 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 63 3.110 9.151 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.332 9.849 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.108 9.751 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.171 8.456 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.945 8.297 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.788 6.903 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.728 7.093 -2.894 1.00 0.00 H new ATOM 913 N LYS A 64 5.490 9.575 -3.577 1.00 0.00 N ATOM 914 CA LYS A 64 6.668 10.440 -3.536 1.00 0.00 C ATOM 915 C LYS A 64 6.251 11.913 -3.490 1.00 0.00 C ATOM 916 O LYS A 64 5.821 12.395 -2.442 1.00 0.00 O ATOM 917 CB LYS A 64 7.595 10.150 -4.728 1.00 0.00 C ATOM 918 CG LYS A 64 9.027 9.936 -4.226 1.00 0.00 C ATOM 919 CD LYS A 64 9.201 8.501 -3.726 1.00 0.00 C ATOM 920 CE LYS A 64 10.690 8.209 -3.538 1.00 0.00 C ATOM 921 NZ LYS A 64 11.460 9.480 -3.646 1.00 0.00 N ATOM 0 H LYS A 64 4.602 10.065 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 64 7.228 10.226 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.250 9.265 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.567 10.980 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.736 10.138 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.247 10.638 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.670 8.365 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.768 7.800 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.862 7.748 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.031 7.499 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.448 9.312 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.429 9.822 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.041 10.194 -3.017 1.00 0.00 H new ATOM 935 N GLU A 65 6.384 12.640 -4.599 1.00 0.00 N ATOM 936 CA GLU A 65 6.014 14.050 -4.597 1.00 0.00 C ATOM 937 C GLU A 65 6.286 14.779 -5.933 1.00 0.00 C ATOM 938 O GLU A 65 5.734 15.857 -6.153 1.00 0.00 O ATOM 939 CB GLU A 65 6.764 14.739 -3.453 1.00 0.00 C ATOM 940 CG GLU A 65 7.721 15.799 -3.996 1.00 0.00 C ATOM 941 CD GLU A 65 8.508 16.429 -2.853 1.00 0.00 C ATOM 942 OE1 GLU A 65 8.991 15.689 -2.011 1.00 0.00 O ATOM 943 OE2 GLU A 65 8.616 17.645 -2.832 1.00 0.00 O ATOM 0 H GLU A 65 6.736 12.285 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 65 4.934 14.104 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.051 15.201 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.321 13.999 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.406 15.348 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.161 16.567 -4.529 1.00 0.00 H new ATOM 950 N PRO A 66 7.118 14.263 -6.813 1.00 0.00 N ATOM 951 CA PRO A 66 7.428 14.946 -8.099 1.00 0.00 C ATOM 952 C PRO A 66 6.181 15.265 -8.917 1.00 0.00 C ATOM 953 O PRO A 66 5.097 15.465 -8.369 1.00 0.00 O ATOM 954 CB PRO A 66 8.335 13.964 -8.842 1.00 0.00 C ATOM 955 CG PRO A 66 8.929 13.123 -7.773 1.00 0.00 C ATOM 956 CD PRO A 66 7.848 13.003 -6.708 1.00 0.00 C ATOM 0 HA PRO A 66 7.898 15.914 -7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.769 13.361 -9.553 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.105 14.487 -9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.214 12.143 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.831 13.581 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.198 12.147 -6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.277 12.870 -5.715 1.00 0.00 H new ATOM 964 N SER A 67 6.350 15.316 -10.234 1.00 0.00 N ATOM 965 CA SER A 67 5.243 15.618 -11.132 1.00 0.00 C ATOM 966 C SER A 67 5.755 15.880 -12.546 1.00 0.00 C ATOM 967 O SER A 67 6.905 15.581 -12.864 1.00 0.00 O ATOM 968 CB SER A 67 4.491 16.842 -10.620 1.00 0.00 C ATOM 969 OG SER A 67 3.725 17.404 -11.677 1.00 0.00 O ATOM 0 H SER A 67 7.241 15.152 -10.702 1.00 0.00 H new ATOM 0 HA SER A 67 4.570 14.761 -11.161 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.839 16.562 -9.793 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.195 17.580 -10.235 1.00 0.00 H new ATOM 0 HG SER A 67 3.644 18.371 -11.544 1.00 0.00 H new ATOM 975 N GLN A 68 4.894 16.440 -13.392 1.00 0.00 N ATOM 976 CA GLN A 68 5.275 16.733 -14.771 1.00 0.00 C ATOM 977 C GLN A 68 4.974 18.188 -15.116 1.00 0.00 C ATOM 978 O GLN A 68 4.335 18.902 -14.343 1.00 0.00 O ATOM 979 CB GLN A 68 4.518 15.812 -15.732 1.00 0.00 C ATOM 980 CG GLN A 68 4.718 14.356 -15.309 1.00 0.00 C ATOM 981 CD GLN A 68 3.566 13.501 -15.827 1.00 0.00 C ATOM 982 OE1 GLN A 68 3.196 12.509 -15.199 1.00 0.00 O ATOM 983 NE2 GLN A 68 2.975 13.828 -16.943 1.00 0.00 N ATOM 0 H GLN A 68 3.937 16.698 -13.150 1.00 0.00 H new ATOM 0 HA GLN A 68 6.347 16.562 -14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.457 16.060 -15.729 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.877 15.958 -16.751 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.664 13.982 -15.700 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.773 14.288 -14.222 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.283 14.650 -17.461 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.204 13.261 -17.297 1.00 0.00 H new ATOM 992 N ASP A 69 5.437 18.620 -16.287 1.00 0.00 N ATOM 993 CA ASP A 69 5.211 19.991 -16.729 1.00 0.00 C ATOM 994 C ASP A 69 3.739 20.217 -17.031 1.00 0.00 C ATOM 995 O ASP A 69 3.266 21.353 -17.090 1.00 0.00 O ATOM 996 CB ASP A 69 6.039 20.280 -17.980 1.00 0.00 C ATOM 997 CG ASP A 69 7.369 20.919 -17.592 1.00 0.00 C ATOM 998 OD1 ASP A 69 7.647 20.984 -16.406 1.00 0.00 O ATOM 999 OD2 ASP A 69 8.088 21.334 -18.485 1.00 0.00 O ATOM 0 H ASP A 69 5.967 18.044 -16.941 1.00 0.00 H new ATOM 0 HA ASP A 69 5.515 20.666 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.217 19.356 -18.529 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.488 20.945 -18.645 1.00 0.00 H new ATOM 1004 N THR A 70 3.026 19.123 -17.221 1.00 0.00 N ATOM 1005 CA THR A 70 1.600 19.188 -17.517 1.00 0.00 C ATOM 1006 C THR A 70 0.782 18.733 -16.314 1.00 0.00 C ATOM 1007 O THR A 70 1.317 18.545 -15.222 1.00 0.00 O ATOM 1008 CB THR A 70 1.273 18.304 -18.724 1.00 0.00 C ATOM 1009 OG1 THR A 70 1.507 16.943 -18.389 1.00 0.00 O ATOM 1010 CG2 THR A 70 2.157 18.700 -19.907 1.00 0.00 C ATOM 0 H THR A 70 3.407 18.178 -17.177 1.00 0.00 H new ATOM 0 HA THR A 70 1.344 20.222 -17.746 1.00 0.00 H new ATOM 0 HB THR A 70 0.226 18.437 -18.998 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.297 16.376 -19.160 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.922 18.069 -20.764 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.975 19.744 -20.164 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.205 18.570 -19.638 1.00 0.00 H new ATOM 1018 N VAL A 71 -0.520 18.557 -16.524 1.00 0.00 N ATOM 1019 CA VAL A 71 -1.405 18.124 -15.449 1.00 0.00 C ATOM 1020 C VAL A 71 -1.336 16.611 -15.269 1.00 0.00 C ATOM 1021 O VAL A 71 -0.306 15.990 -15.537 1.00 0.00 O ATOM 1022 CB VAL A 71 -2.844 18.541 -15.760 1.00 0.00 C ATOM 1023 CG1 VAL A 71 -3.467 17.548 -16.742 1.00 0.00 C ATOM 1024 CG2 VAL A 71 -3.662 18.564 -14.467 1.00 0.00 C ATOM 0 H VAL A 71 -0.982 18.706 -17.421 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.081 18.600 -14.523 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.842 19.536 -16.205 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.492 17.848 -16.961 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.887 17.536 -17.665 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.467 16.551 -16.301 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.687 18.861 -14.690 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.662 17.571 -14.019 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.221 19.277 -13.770 1.00 0.00 H new ATOM 1034 N ALA A 72 -2.434 16.023 -14.809 1.00 0.00 N ATOM 1035 CA ALA A 72 -2.480 14.582 -14.592 1.00 0.00 C ATOM 1036 C ALA A 72 -3.607 13.947 -15.390 1.00 0.00 C ATOM 1037 O ALA A 72 -3.375 13.146 -16.295 1.00 0.00 O ATOM 1038 CB ALA A 72 -2.674 14.284 -13.101 1.00 0.00 C ATOM 0 H ALA A 72 -3.297 16.516 -14.581 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.535 14.157 -14.930 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.707 13.205 -12.947 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.844 14.706 -12.535 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.609 14.728 -12.760 1.00 0.00 H new ATOM 1044 N THR A 73 -4.825 14.314 -15.040 1.00 0.00 N ATOM 1045 CA THR A 73 -6.006 13.786 -15.714 1.00 0.00 C ATOM 1046 C THR A 73 -6.288 12.359 -15.256 1.00 0.00 C ATOM 1047 O THR A 73 -7.260 12.106 -14.544 1.00 0.00 O ATOM 1048 CB THR A 73 -5.798 13.807 -17.229 1.00 0.00 C ATOM 1049 OG1 THR A 73 -4.914 14.865 -17.568 1.00 0.00 O ATOM 1050 CG2 THR A 73 -7.143 14.020 -17.928 1.00 0.00 C ATOM 0 H THR A 73 -5.027 14.977 -14.292 1.00 0.00 H new ATOM 0 HA THR A 73 -6.859 14.414 -15.458 1.00 0.00 H new ATOM 0 HB THR A 73 -5.370 12.857 -17.551 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.778 14.879 -18.538 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.994 14.035 -19.008 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.821 13.208 -17.667 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.573 14.969 -17.608 1.00 0.00 H new ATOM 1058 N GLU A 74 -5.429 11.430 -15.664 1.00 0.00 N ATOM 1059 CA GLU A 74 -5.596 10.032 -15.283 1.00 0.00 C ATOM 1060 C GLU A 74 -4.250 9.312 -15.288 1.00 0.00 C ATOM 1061 O GLU A 74 -3.780 8.852 -14.246 1.00 0.00 O ATOM 1062 CB GLU A 74 -6.566 9.333 -16.246 1.00 0.00 C ATOM 1063 CG GLU A 74 -7.974 9.295 -15.639 1.00 0.00 C ATOM 1064 CD GLU A 74 -8.810 8.219 -16.325 1.00 0.00 C ATOM 1065 OE1 GLU A 74 -8.549 7.941 -17.484 1.00 0.00 O ATOM 1066 OE2 GLU A 74 -9.699 7.689 -15.679 1.00 0.00 O ATOM 0 H GLU A 74 -4.618 11.617 -16.253 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.008 9.996 -14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.587 9.860 -17.200 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.222 8.319 -16.449 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.912 9.092 -14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.454 10.267 -15.752 1.00 0.00 H new ATOM 1073 N PRO A 75 -3.623 9.214 -16.429 1.00 0.00 N ATOM 1074 CA PRO A 75 -2.297 8.540 -16.567 1.00 0.00 C ATOM 1075 C PRO A 75 -1.230 9.196 -15.698 1.00 0.00 C ATOM 1076 O PRO A 75 -1.095 8.883 -14.516 1.00 0.00 O ATOM 1077 CB PRO A 75 -1.959 8.683 -18.058 1.00 0.00 C ATOM 1078 CG PRO A 75 -2.833 9.783 -18.562 1.00 0.00 C ATOM 1079 CD PRO A 75 -4.102 9.731 -17.717 1.00 0.00 C ATOM 0 HA PRO A 75 -2.332 7.501 -16.238 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.905 8.923 -18.200 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.150 7.753 -18.594 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.339 10.750 -18.465 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.062 9.647 -19.619 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.557 10.716 -17.612 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.854 9.078 -18.159 1.00 0.00 H new ATOM 1087 N SER A 76 -0.476 10.103 -16.299 1.00 0.00 N ATOM 1088 CA SER A 76 0.582 10.805 -15.582 1.00 0.00 C ATOM 1089 C SER A 76 1.628 9.821 -15.069 1.00 0.00 C ATOM 1090 O SER A 76 1.513 8.613 -15.280 1.00 0.00 O ATOM 1091 CB SER A 76 -0.010 11.576 -14.402 1.00 0.00 C ATOM 1092 OG SER A 76 0.928 12.548 -13.958 1.00 0.00 O ATOM 0 H SER A 76 -0.575 10.371 -17.278 1.00 0.00 H new ATOM 0 HA SER A 76 1.059 11.501 -16.272 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.940 12.061 -14.699 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.253 10.891 -13.590 1.00 0.00 H new ATOM 0 HG SER A 76 1.633 12.653 -14.630 1.00 0.00 H new ATOM 1098 N GLU A 77 2.645 10.345 -14.394 1.00 0.00 N ATOM 1099 CA GLU A 77 3.706 9.502 -13.852 1.00 0.00 C ATOM 1100 C GLU A 77 3.565 9.381 -12.345 1.00 0.00 C ATOM 1101 O GLU A 77 3.807 8.326 -11.760 1.00 0.00 O ATOM 1102 CB GLU A 77 5.071 10.103 -14.185 1.00 0.00 C ATOM 1103 CG GLU A 77 5.313 10.018 -15.692 1.00 0.00 C ATOM 1104 CD GLU A 77 5.852 8.638 -16.055 1.00 0.00 C ATOM 1105 OE1 GLU A 77 6.820 8.222 -15.441 1.00 0.00 O ATOM 1106 OE2 GLU A 77 5.288 8.018 -16.942 1.00 0.00 O ATOM 0 H GLU A 77 2.758 11.342 -14.210 1.00 0.00 H new ATOM 0 HA GLU A 77 3.624 8.512 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.112 11.142 -13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.856 9.569 -13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.384 10.208 -16.229 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.022 10.787 -15.999 1.00 0.00 H new ATOM 1113 N VAL A 78 3.175 10.482 -11.734 1.00 0.00 N ATOM 1114 CA VAL A 78 2.999 10.536 -10.292 1.00 0.00 C ATOM 1115 C VAL A 78 1.955 11.598 -9.938 1.00 0.00 C ATOM 1116 O VAL A 78 0.876 11.628 -10.531 1.00 0.00 O ATOM 1117 CB VAL A 78 4.349 10.842 -9.636 1.00 0.00 C ATOM 1118 CG1 VAL A 78 4.874 12.189 -10.135 1.00 0.00 C ATOM 1119 CG2 VAL A 78 4.197 10.874 -8.113 1.00 0.00 C ATOM 0 H VAL A 78 2.972 11.358 -12.215 1.00 0.00 H new ATOM 0 HA VAL A 78 2.640 9.577 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 78 5.059 10.060 -9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.834 12.402 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.999 12.152 -11.217 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.163 12.974 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.162 11.092 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.481 11.647 -7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.840 9.906 -7.763 1.00 0.00 H new ATOM 1129 N GLU A 79 2.266 12.467 -8.982 1.00 0.00 N ATOM 1130 CA GLU A 79 1.330 13.513 -8.586 1.00 0.00 C ATOM 1131 C GLU A 79 1.023 14.430 -9.767 1.00 0.00 C ATOM 1132 O GLU A 79 0.665 13.963 -10.848 1.00 0.00 O ATOM 1133 CB GLU A 79 1.919 14.326 -7.431 1.00 0.00 C ATOM 1134 CG GLU A 79 2.130 13.413 -6.223 1.00 0.00 C ATOM 1135 CD GLU A 79 1.925 14.198 -4.933 1.00 0.00 C ATOM 1136 OE1 GLU A 79 0.971 14.956 -4.869 1.00 0.00 O ATOM 1137 OE2 GLU A 79 2.724 14.029 -4.026 1.00 0.00 O ATOM 0 H GLU A 79 3.149 12.469 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 79 0.401 13.046 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.866 14.773 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.249 15.145 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.433 12.576 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.135 12.992 -6.246 1.00 0.00 H new ATOM 1144 N GLY A 80 1.164 15.737 -9.557 1.00 0.00 N ATOM 1145 CA GLY A 80 0.898 16.702 -10.616 1.00 0.00 C ATOM 1146 C GLY A 80 1.263 18.113 -10.168 1.00 0.00 C ATOM 1147 O GLY A 80 0.940 19.092 -10.843 1.00 0.00 O ATOM 0 H GLY A 80 1.458 16.147 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.470 16.439 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.156 16.665 -10.892 1.00 0.00 H new ATOM 1151 N SER A 81 1.934 18.211 -9.025 1.00 0.00 N ATOM 1152 CA SER A 81 2.335 19.509 -8.495 1.00 0.00 C ATOM 1153 C SER A 81 3.532 20.057 -9.264 1.00 0.00 C ATOM 1154 O SER A 81 3.946 19.492 -10.276 1.00 0.00 O ATOM 1155 CB SER A 81 2.698 19.382 -7.017 1.00 0.00 C ATOM 1156 OG SER A 81 3.850 18.561 -6.885 1.00 0.00 O ATOM 0 H SER A 81 2.210 17.414 -8.452 1.00 0.00 H new ATOM 0 HA SER A 81 1.497 20.197 -8.607 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.889 20.367 -6.592 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.865 18.951 -6.462 1.00 0.00 H new ATOM 0 HG SER A 81 4.086 18.479 -5.937 1.00 0.00 H new ATOM 1162 N ALA A 82 4.082 21.162 -8.773 1.00 0.00 N ATOM 1163 CA ALA A 82 5.228 21.785 -9.413 1.00 0.00 C ATOM 1164 C ALA A 82 6.436 20.853 -9.384 1.00 0.00 C ATOM 1165 O ALA A 82 6.712 20.211 -8.372 1.00 0.00 O ATOM 1166 CB ALA A 82 5.571 23.093 -8.697 1.00 0.00 C ATOM 0 H ALA A 82 3.752 21.642 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 82 4.974 21.992 -10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.431 23.557 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.718 23.770 -8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.809 22.885 -7.654 1.00 0.00 H new ATOM 1172 N ALA A 83 7.155 20.790 -10.501 1.00 0.00 N ATOM 1173 CA ALA A 83 8.334 19.938 -10.588 1.00 0.00 C ATOM 1174 C ALA A 83 9.601 20.786 -10.538 1.00 0.00 C ATOM 1175 O ALA A 83 9.546 22.008 -10.673 1.00 0.00 O ATOM 1176 CB ALA A 83 8.305 19.135 -11.889 1.00 0.00 C ATOM 0 H ALA A 83 6.944 21.314 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 83 8.331 19.251 -9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.190 18.501 -11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.411 18.512 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.294 19.818 -12.738 1.00 0.00 H new ATOM 1182 N ASN A 84 10.741 20.131 -10.342 1.00 0.00 N ATOM 1183 CA ASN A 84 12.014 20.841 -10.276 1.00 0.00 C ATOM 1184 C ASN A 84 12.872 20.528 -11.497 1.00 0.00 C ATOM 1185 O ASN A 84 14.095 20.436 -11.400 1.00 0.00 O ATOM 1186 CB ASN A 84 12.773 20.440 -9.008 1.00 0.00 C ATOM 1187 CG ASN A 84 11.788 20.132 -7.885 1.00 0.00 C ATOM 1188 OD1 ASN A 84 10.993 20.990 -7.503 1.00 0.00 O ATOM 1189 ND2 ASN A 84 11.797 18.951 -7.328 1.00 0.00 N ATOM 0 H ASN A 84 10.810 19.120 -10.227 1.00 0.00 H new ATOM 0 HA ASN A 84 11.805 21.911 -10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.394 19.567 -9.207 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.442 21.245 -8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.144 18.738 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.457 18.242 -7.647 1.00 0.00 H new ATOM 1196 N LYS A 85 12.225 20.366 -12.649 1.00 0.00 N ATOM 1197 CA LYS A 85 12.945 20.067 -13.878 1.00 0.00 C ATOM 1198 C LYS A 85 14.057 21.082 -14.112 1.00 0.00 C ATOM 1199 O LYS A 85 14.963 21.227 -13.293 1.00 0.00 O ATOM 1200 CB LYS A 85 11.980 20.094 -15.061 1.00 0.00 C ATOM 1201 CG LYS A 85 12.661 19.483 -16.285 1.00 0.00 C ATOM 1202 CD LYS A 85 11.594 18.926 -17.224 1.00 0.00 C ATOM 1203 CE LYS A 85 11.537 17.407 -17.080 1.00 0.00 C ATOM 1204 NZ LYS A 85 12.567 16.784 -17.959 1.00 0.00 N ATOM 0 H LYS A 85 11.213 20.436 -12.754 1.00 0.00 H new ATOM 0 HA LYS A 85 13.388 19.075 -13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.075 19.537 -14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.676 21.119 -15.274 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.258 20.237 -16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.344 18.690 -15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.623 19.362 -16.989 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.823 19.197 -18.255 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.710 17.123 -16.042 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.546 17.043 -17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.528 15.749 -17.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.383 17.045 -18.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.511 17.122 -17.682 1.00 0.00 H new ATOM 1218 N GLU A 86 13.977 21.780 -15.238 1.00 0.00 N ATOM 1219 CA GLU A 86 14.980 22.782 -15.577 1.00 0.00 C ATOM 1220 C GLU A 86 14.946 23.932 -14.580 1.00 0.00 C ATOM 1221 O GLU A 86 15.719 23.964 -13.623 1.00 0.00 O ATOM 1222 CB GLU A 86 14.735 23.310 -16.994 1.00 0.00 C ATOM 1223 CG GLU A 86 16.003 23.989 -17.514 1.00 0.00 C ATOM 1224 CD GLU A 86 15.645 24.999 -18.599 1.00 0.00 C ATOM 1225 OE1 GLU A 86 14.677 24.764 -19.306 1.00 0.00 O ATOM 1226 OE2 GLU A 86 16.343 25.993 -18.709 1.00 0.00 O ATOM 0 H GLU A 86 13.233 21.672 -15.928 1.00 0.00 H new ATOM 0 HA GLU A 86 15.964 22.315 -15.535 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.452 22.490 -17.655 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.906 24.018 -16.991 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.519 24.490 -16.695 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.688 23.241 -17.913 1.00 0.00 H new ATOM 1233 N VAL A 87 14.045 24.868 -14.815 1.00 0.00 N ATOM 1234 CA VAL A 87 13.905 26.027 -13.938 1.00 0.00 C ATOM 1235 C VAL A 87 12.468 26.158 -13.446 1.00 0.00 C ATOM 1236 O VAL A 87 11.536 25.652 -14.073 1.00 0.00 O ATOM 1237 CB VAL A 87 14.297 27.304 -14.688 1.00 0.00 C ATOM 1238 CG1 VAL A 87 15.310 28.099 -13.862 1.00 0.00 C ATOM 1239 CG2 VAL A 87 14.915 26.934 -16.036 1.00 0.00 C ATOM 0 H VAL A 87 13.398 24.853 -15.603 1.00 0.00 H new ATOM 0 HA VAL A 87 14.564 25.887 -13.081 1.00 0.00 H new ATOM 0 HB VAL A 87 13.408 27.914 -14.850 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.586 29.006 -14.400 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.867 28.366 -12.902 1.00 0.00 H new ATOM 0 HG13 VAL A 87 16.200 27.492 -13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 87 15.194 27.842 -16.570 1.00 0.00 H new ATOM 0 HG22 VAL A 87 15.802 26.321 -15.874 1.00 0.00 H new ATOM 0 HG23 VAL A 87 14.190 26.374 -16.627 1.00 0.00 H new ATOM 1249 N LEU A 88 12.295 26.855 -12.328 1.00 0.00 N ATOM 1250 CA LEU A 88 10.967 27.064 -11.770 1.00 0.00 C ATOM 1251 C LEU A 88 10.185 28.011 -12.663 1.00 0.00 C ATOM 1252 O LEU A 88 8.957 27.960 -12.739 1.00 0.00 O ATOM 1253 CB LEU A 88 11.078 27.650 -10.364 1.00 0.00 C ATOM 1254 CG LEU A 88 9.714 27.599 -9.678 1.00 0.00 C ATOM 1255 CD1 LEU A 88 9.906 27.290 -8.193 1.00 0.00 C ATOM 1256 CD2 LEU A 88 9.020 28.953 -9.833 1.00 0.00 C ATOM 0 H LEU A 88 13.053 27.281 -11.795 1.00 0.00 H new ATOM 0 HA LEU A 88 10.447 26.108 -11.714 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.810 27.090 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.432 28.680 -10.415 1.00 0.00 H new ATOM 0 HG LEU A 88 9.101 26.822 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.934 27.253 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.405 26.327 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.515 28.069 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.046 28.921 -9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.631 29.730 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.888 29.175 -10.892 1.00 0.00 H new ATOM 1268 N ALA A 89 10.927 28.864 -13.349 1.00 0.00 N ATOM 1269 CA ALA A 89 10.347 29.830 -14.265 1.00 0.00 C ATOM 1270 C ALA A 89 9.406 30.786 -13.540 1.00 0.00 C ATOM 1271 O ALA A 89 9.141 30.631 -12.350 1.00 0.00 O ATOM 1272 CB ALA A 89 9.590 29.093 -15.364 1.00 0.00 C ATOM 0 H ALA A 89 11.944 28.906 -13.287 1.00 0.00 H new ATOM 0 HA ALA A 89 11.154 30.419 -14.700 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.154 29.816 -16.053 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.277 28.444 -15.907 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.797 28.491 -14.919 1.00 0.00 H new ATOM 1278 N LYS A 90 8.913 31.779 -14.270 1.00 0.00 N ATOM 1279 CA LYS A 90 8.006 32.763 -13.693 1.00 0.00 C ATOM 1280 C LYS A 90 6.736 32.878 -14.528 1.00 0.00 C ATOM 1281 O LYS A 90 6.568 32.172 -15.521 1.00 0.00 O ATOM 1282 CB LYS A 90 8.697 34.123 -13.626 1.00 0.00 C ATOM 1283 CG LYS A 90 8.290 34.837 -12.338 1.00 0.00 C ATOM 1284 CD LYS A 90 9.145 34.320 -11.181 1.00 0.00 C ATOM 1285 CE LYS A 90 10.608 34.696 -11.420 1.00 0.00 C ATOM 1286 NZ LYS A 90 11.172 35.304 -10.181 1.00 0.00 N ATOM 0 H LYS A 90 9.125 31.924 -15.257 1.00 0.00 H new ATOM 0 HA LYS A 90 7.736 32.438 -12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.779 33.995 -13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.422 34.726 -14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.420 35.913 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.234 34.663 -12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.798 34.746 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.046 33.238 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.181 33.812 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.683 35.399 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.167 35.560 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.630 36.157 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.113 34.619 -9.400 1.00 0.00 H new ATOM 1300 N VAL A 91 5.848 33.779 -14.121 1.00 0.00 N ATOM 1301 CA VAL A 91 4.599 33.985 -14.844 1.00 0.00 C ATOM 1302 C VAL A 91 4.252 35.470 -14.894 1.00 0.00 C ATOM 1303 O VAL A 91 3.300 35.916 -14.253 1.00 0.00 O ATOM 1304 CB VAL A 91 3.459 33.218 -14.169 1.00 0.00 C ATOM 1305 CG1 VAL A 91 2.133 33.588 -14.836 1.00 0.00 C ATOM 1306 CG2 VAL A 91 3.697 31.713 -14.316 1.00 0.00 C ATOM 0 H VAL A 91 5.968 34.374 -13.301 1.00 0.00 H new ATOM 0 HA VAL A 91 4.729 33.613 -15.860 1.00 0.00 H new ATOM 0 HB VAL A 91 3.423 33.479 -13.111 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.320 33.043 -14.357 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.961 34.660 -14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.172 33.326 -15.893 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.885 31.168 -13.835 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.733 31.452 -15.374 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.643 31.446 -13.844 1.00 0.00 H new ATOM 1316 N ILE A 92 5.028 36.229 -15.660 1.00 0.00 N ATOM 1317 CA ILE A 92 4.789 37.661 -15.783 1.00 0.00 C ATOM 1318 C ILE A 92 3.682 37.929 -16.797 1.00 0.00 C ATOM 1319 O ILE A 92 3.656 37.336 -17.876 1.00 0.00 O ATOM 1320 CB ILE A 92 6.072 38.379 -16.211 1.00 0.00 C ATOM 1321 CG1 ILE A 92 6.397 38.036 -17.668 1.00 0.00 C ATOM 1322 CG2 ILE A 92 7.228 37.935 -15.312 1.00 0.00 C ATOM 1323 CD1 ILE A 92 7.654 38.792 -18.100 1.00 0.00 C ATOM 0 H ILE A 92 5.820 35.881 -16.200 1.00 0.00 H new ATOM 0 HA ILE A 92 4.477 38.043 -14.811 1.00 0.00 H new ATOM 0 HB ILE A 92 5.930 39.456 -16.119 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.551 36.962 -17.775 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.559 38.304 -18.312 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.142 38.445 -15.616 1.00 0.00 H new ATOM 0 HG22 ILE A 92 7.000 38.185 -14.276 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.367 36.858 -15.403 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.887 38.549 -19.137 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.483 39.865 -18.008 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.490 38.502 -17.463 1.00 0.00 H new ATOM 1335 N ASP A 93 2.766 38.821 -16.441 1.00 0.00 N ATOM 1336 CA ASP A 93 1.658 39.158 -17.325 1.00 0.00 C ATOM 1337 C ASP A 93 0.757 40.193 -16.673 1.00 0.00 C ATOM 1338 O ASP A 93 -0.005 39.887 -15.756 1.00 0.00 O ATOM 1339 CB ASP A 93 0.849 37.902 -17.656 1.00 0.00 C ATOM 1340 CG ASP A 93 0.399 37.940 -19.112 1.00 0.00 C ATOM 1341 OD1 ASP A 93 1.219 38.259 -19.956 1.00 0.00 O ATOM 1342 OD2 ASP A 93 -0.759 37.647 -19.362 1.00 0.00 O ATOM 0 H ASP A 93 2.768 39.321 -15.552 1.00 0.00 H new ATOM 0 HA ASP A 93 2.064 39.575 -18.247 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.453 37.013 -17.477 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.019 37.835 -17.000 1.00 0.00 H new ATOM 1347 N LEU A 94 0.860 41.423 -17.154 1.00 0.00 N ATOM 1348 CA LEU A 94 0.066 42.516 -16.621 1.00 0.00 C ATOM 1349 C LEU A 94 -0.360 43.449 -17.744 1.00 0.00 C ATOM 1350 O LEU A 94 -1.419 43.275 -18.349 1.00 0.00 O ATOM 1351 CB LEU A 94 0.894 43.290 -15.593 1.00 0.00 C ATOM 1352 CG LEU A 94 1.091 42.435 -14.339 1.00 0.00 C ATOM 1353 CD1 LEU A 94 2.309 42.938 -13.562 1.00 0.00 C ATOM 1354 CD2 LEU A 94 -0.152 42.532 -13.452 1.00 0.00 C ATOM 0 H LEU A 94 1.487 41.688 -17.914 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.826 42.111 -16.142 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.861 43.557 -16.018 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.391 44.222 -15.334 1.00 0.00 H new ATOM 0 HG LEU A 94 1.249 41.397 -14.632 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.448 42.328 -12.669 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.196 42.868 -14.191 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.152 43.977 -13.271 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.010 41.923 -12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.311 43.570 -13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.021 42.172 -14.003 1.00 0.00 H new ATOM 1366 N THR A 95 0.481 44.429 -18.015 1.00 0.00 N ATOM 1367 CA THR A 95 0.208 45.395 -19.075 1.00 0.00 C ATOM 1368 C THR A 95 1.332 45.382 -20.106 1.00 0.00 C ATOM 1369 O THR A 95 2.312 46.117 -19.980 1.00 0.00 O ATOM 1370 CB THR A 95 0.068 46.799 -18.481 1.00 0.00 C ATOM 1371 OG1 THR A 95 0.014 47.753 -19.534 1.00 0.00 O ATOM 1372 CG2 THR A 95 1.266 47.099 -17.579 1.00 0.00 C ATOM 0 H THR A 95 1.359 44.581 -17.519 1.00 0.00 H new ATOM 0 HA THR A 95 -0.725 45.118 -19.566 1.00 0.00 H new ATOM 0 HB THR A 95 -0.847 46.854 -17.892 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.077 48.653 -19.156 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.163 48.099 -17.158 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.306 46.368 -16.772 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.184 47.044 -18.164 1.00 0.00 H new ATOM 1380 N HIS A 96 1.187 44.537 -21.122 1.00 0.00 N ATOM 1381 CA HIS A 96 2.200 44.432 -22.165 1.00 0.00 C ATOM 1382 C HIS A 96 1.963 45.459 -23.261 1.00 0.00 C ATOM 1383 O HIS A 96 2.899 45.905 -23.925 1.00 0.00 O ATOM 1384 CB HIS A 96 2.190 43.028 -22.770 1.00 0.00 C ATOM 1385 CG HIS A 96 3.488 42.783 -23.486 1.00 0.00 C ATOM 1386 ND1 HIS A 96 3.630 42.988 -24.849 1.00 0.00 N ATOM 1387 CD2 HIS A 96 4.714 42.354 -23.042 1.00 0.00 C ATOM 1388 CE1 HIS A 96 4.899 42.686 -25.175 1.00 0.00 C ATOM 1389 NE2 HIS A 96 5.604 42.293 -24.110 1.00 0.00 N ATOM 0 H HIS A 96 0.384 43.920 -21.245 1.00 0.00 H new ATOM 0 HA HIS A 96 3.172 44.626 -21.711 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.048 42.284 -21.986 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.355 42.925 -23.463 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.952 42.102 -22.019 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.300 42.753 -26.176 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.583 42.009 -24.085 1.00 0.00 H new ATOM 1397 N ASP A 97 0.708 45.828 -23.442 1.00 0.00 N ATOM 1398 CA ASP A 97 0.346 46.806 -24.461 1.00 0.00 C ATOM 1399 C ASP A 97 0.285 48.205 -23.861 1.00 0.00 C ATOM 1400 O ASP A 97 -0.764 48.848 -23.867 1.00 0.00 O ATOM 1401 CB ASP A 97 -1.010 46.451 -25.070 1.00 0.00 C ATOM 1402 CG ASP A 97 -1.270 47.317 -26.298 1.00 0.00 C ATOM 1403 OD1 ASP A 97 -1.588 48.481 -26.122 1.00 0.00 O ATOM 1404 OD2 ASP A 97 -1.146 46.803 -27.399 1.00 0.00 O ATOM 0 H ASP A 97 -0.078 45.469 -22.900 1.00 0.00 H new ATOM 0 HA ASP A 97 1.108 46.789 -25.240 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.029 45.397 -25.347 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.800 46.602 -24.334 1.00 0.00 H new ATOM 1409 N ASN A 98 1.416 48.672 -23.342 1.00 0.00 N ATOM 1410 CA ASN A 98 1.476 49.997 -22.740 1.00 0.00 C ATOM 1411 C ASN A 98 0.642 50.988 -23.543 1.00 0.00 C ATOM 1412 O ASN A 98 0.672 50.990 -24.773 1.00 0.00 O ATOM 1413 CB ASN A 98 2.924 50.479 -22.671 1.00 0.00 C ATOM 1414 CG ASN A 98 3.873 49.286 -22.722 1.00 0.00 C ATOM 1415 OD1 ASN A 98 4.459 49.003 -23.766 1.00 0.00 O ATOM 1416 ND2 ASN A 98 4.060 48.567 -21.649 1.00 0.00 N ATOM 0 H ASN A 98 2.296 48.157 -23.326 1.00 0.00 H new ATOM 0 HA ASN A 98 1.071 49.934 -21.730 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.131 51.155 -23.501 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.085 51.043 -21.752 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.693 47.768 -21.675 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.573 48.804 -20.785 1.00 0.00 H new ATOM 1423 N LYS A 99 -0.109 51.820 -22.834 1.00 0.00 N ATOM 1424 CA LYS A 99 -0.963 52.801 -23.476 1.00 0.00 C ATOM 1425 C LYS A 99 -0.934 54.124 -22.724 1.00 0.00 C ATOM 1426 O LYS A 99 -0.158 55.026 -23.040 1.00 0.00 O ATOM 1427 CB LYS A 99 -2.390 52.269 -23.502 1.00 0.00 C ATOM 1428 CG LYS A 99 -2.540 51.161 -22.457 1.00 0.00 C ATOM 1429 CD LYS A 99 -4.019 50.987 -22.101 1.00 0.00 C ATOM 1430 CE LYS A 99 -4.173 49.832 -21.109 1.00 0.00 C ATOM 1431 NZ LYS A 99 -5.542 49.866 -20.518 1.00 0.00 N ATOM 0 H LYS A 99 -0.142 51.833 -21.815 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.600 52.973 -24.489 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.094 53.075 -23.296 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.628 51.883 -24.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.136 50.225 -22.844 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -1.967 51.410 -21.564 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.410 51.907 -21.667 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.600 50.787 -23.002 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.006 48.880 -21.613 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.423 49.911 -20.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.648 49.082 -19.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.684 50.770 -20.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.249 49.770 -21.275 1.00 0.00 H new ATOM 1445 N ASP A 100 -1.801 54.226 -21.736 1.00 0.00 N ATOM 1446 CA ASP A 100 -1.900 55.436 -20.931 1.00 0.00 C ATOM 1447 C ASP A 100 -0.652 55.638 -20.077 1.00 0.00 C ATOM 1448 O ASP A 100 -0.331 56.762 -19.692 1.00 0.00 O ATOM 1449 CB ASP A 100 -3.129 55.347 -20.024 1.00 0.00 C ATOM 1450 CG ASP A 100 -4.348 54.932 -20.842 1.00 0.00 C ATOM 1451 OD1 ASP A 100 -4.179 54.653 -22.018 1.00 0.00 O ATOM 1452 OD2 ASP A 100 -5.431 54.898 -20.282 1.00 0.00 O ATOM 0 H ASP A 100 -2.450 53.486 -21.468 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.993 56.287 -21.606 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.952 54.625 -19.227 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.311 56.310 -19.547 1.00 0.00 H new ATOM 1457 N ASP A 101 0.046 54.546 -19.772 1.00 0.00 N ATOM 1458 CA ASP A 101 1.246 54.630 -18.945 1.00 0.00 C ATOM 1459 C ASP A 101 2.299 55.536 -19.584 1.00 0.00 C ATOM 1460 O ASP A 101 2.692 56.552 -19.001 1.00 0.00 O ATOM 1461 CB ASP A 101 1.831 53.232 -18.738 1.00 0.00 C ATOM 1462 CG ASP A 101 1.198 52.578 -17.513 1.00 0.00 C ATOM 1463 OD1 ASP A 101 0.042 52.860 -17.246 1.00 0.00 O ATOM 1464 OD2 ASP A 101 1.879 51.802 -16.862 1.00 0.00 O ATOM 0 H ASP A 101 -0.195 53.604 -20.081 1.00 0.00 H new ATOM 0 HA ASP A 101 0.964 55.059 -17.984 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.651 52.619 -19.621 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.911 53.296 -18.609 1.00 0.00 H new ATOM 1469 N LEU A 102 2.757 55.175 -20.781 1.00 0.00 N ATOM 1470 CA LEU A 102 3.768 55.984 -21.456 1.00 0.00 C ATOM 1471 C LEU A 102 3.151 57.180 -22.165 1.00 0.00 C ATOM 1472 O LEU A 102 3.835 58.164 -22.394 1.00 0.00 O ATOM 1473 CB LEU A 102 4.625 55.162 -22.444 1.00 0.00 C ATOM 1474 CG LEU A 102 3.791 54.541 -23.577 1.00 0.00 C ATOM 1475 CD1 LEU A 102 2.616 53.754 -23.008 1.00 0.00 C ATOM 1476 CD2 LEU A 102 3.269 55.637 -24.506 1.00 0.00 C ATOM 0 H LEU A 102 2.453 54.347 -21.293 1.00 0.00 H new ATOM 0 HA LEU A 102 4.430 56.350 -20.671 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.393 55.804 -22.874 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.139 54.370 -21.900 1.00 0.00 H new ATOM 0 HG LEU A 102 4.431 53.862 -24.141 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.038 53.322 -23.825 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.989 52.956 -22.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.980 54.420 -22.426 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.680 55.187 -25.305 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.644 56.327 -23.939 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.110 56.180 -24.937 1.00 0.00 H new ATOM 1488 N GLN A 103 1.862 57.125 -22.494 1.00 0.00 N ATOM 1489 CA GLN A 103 1.241 58.270 -23.154 1.00 0.00 C ATOM 1490 C GLN A 103 1.208 59.426 -22.186 1.00 0.00 C ATOM 1491 O GLN A 103 1.463 60.579 -22.543 1.00 0.00 O ATOM 1492 CB GLN A 103 -0.186 57.944 -23.603 1.00 0.00 C ATOM 1493 CG GLN A 103 -0.186 57.529 -25.078 1.00 0.00 C ATOM 1494 CD GLN A 103 -1.590 57.110 -25.504 1.00 0.00 C ATOM 1495 OE1 GLN A 103 -2.566 57.156 -24.639 1.00 0.00 O flip ATOM 1496 NE2 GLN A 103 -1.803 56.729 -26.655 1.00 0.00 N flip ATOM 0 H GLN A 103 1.246 56.330 -22.322 1.00 0.00 H new ATOM 0 HA GLN A 103 1.825 58.525 -24.038 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.595 57.141 -22.990 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.829 58.813 -23.460 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.158 58.357 -25.697 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.511 56.705 -25.232 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.039 56.694 -27.330 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.743 56.449 -26.934 1.00 0.00 H new ATOM 1505 N ALA A 104 0.894 59.093 -20.955 1.00 0.00 N ATOM 1506 CA ALA A 104 0.814 60.078 -19.906 1.00 0.00 C ATOM 1507 C ALA A 104 2.202 60.519 -19.464 1.00 0.00 C ATOM 1508 O ALA A 104 2.498 61.710 -19.453 1.00 0.00 O ATOM 1509 CB ALA A 104 0.036 59.505 -18.724 1.00 0.00 C ATOM 0 H ALA A 104 0.689 58.140 -20.656 1.00 0.00 H new ATOM 0 HA ALA A 104 0.292 60.955 -20.290 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.024 60.251 -17.932 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.970 59.237 -19.046 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.545 58.617 -18.349 1.00 0.00 H new ATOM 1515 N ALA A 105 3.059 59.567 -19.112 1.00 0.00 N ATOM 1516 CA ALA A 105 4.410 59.918 -18.695 1.00 0.00 C ATOM 1517 C ALA A 105 5.084 60.719 -19.802 1.00 0.00 C ATOM 1518 O ALA A 105 5.614 61.813 -19.574 1.00 0.00 O ATOM 1519 CB ALA A 105 5.221 58.652 -18.407 1.00 0.00 C ATOM 0 H ALA A 105 2.849 58.569 -19.106 1.00 0.00 H new ATOM 0 HA ALA A 105 4.361 60.516 -17.785 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.229 58.928 -18.096 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.739 58.084 -17.611 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.274 58.041 -19.308 1.00 0.00 H new ATOM 1525 N ILE A 106 5.041 60.168 -21.008 1.00 0.00 N ATOM 1526 CA ILE A 106 5.629 60.821 -22.165 1.00 0.00 C ATOM 1527 C ILE A 106 5.068 62.217 -22.342 1.00 0.00 C ATOM 1528 O ILE A 106 5.806 63.152 -22.610 1.00 0.00 O ATOM 1529 CB ILE A 106 5.328 60.029 -23.417 1.00 0.00 C ATOM 1530 CG1 ILE A 106 6.018 58.664 -23.345 1.00 0.00 C ATOM 1531 CG2 ILE A 106 5.838 60.799 -24.633 1.00 0.00 C ATOM 1532 CD1 ILE A 106 7.457 58.789 -23.853 1.00 0.00 C ATOM 0 H ILE A 106 4.604 59.269 -21.208 1.00 0.00 H new ATOM 0 HA ILE A 106 6.705 60.878 -22.001 1.00 0.00 H new ATOM 0 HB ILE A 106 4.252 59.879 -23.503 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.014 58.297 -22.319 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.471 57.937 -23.945 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.623 60.232 -25.539 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.341 61.768 -24.685 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.914 60.948 -24.544 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.947 57.817 -23.801 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.449 59.137 -24.886 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.001 59.503 -23.234 1.00 0.00 H new ATOM 1544 N ALA A 107 3.754 62.341 -22.217 1.00 0.00 N ATOM 1545 CA ALA A 107 3.100 63.630 -22.387 1.00 0.00 C ATOM 1546 C ALA A 107 3.454 64.582 -21.246 1.00 0.00 C ATOM 1547 O ALA A 107 3.517 65.795 -21.436 1.00 0.00 O ATOM 1548 CB ALA A 107 1.591 63.429 -22.446 1.00 0.00 C ATOM 0 H ALA A 107 3.123 61.569 -22.000 1.00 0.00 H new ATOM 0 HA ALA A 107 3.449 64.075 -23.319 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.100 64.394 -22.573 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.343 62.782 -23.287 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.249 62.967 -21.520 1.00 0.00 H new ATOM 1554 N LEU A 108 3.690 64.026 -20.065 1.00 0.00 N ATOM 1555 CA LEU A 108 4.043 64.839 -18.908 1.00 0.00 C ATOM 1556 C LEU A 108 5.459 65.378 -19.067 1.00 0.00 C ATOM 1557 O LEU A 108 5.800 66.434 -18.532 1.00 0.00 O ATOM 1558 CB LEU A 108 3.954 63.995 -17.633 1.00 0.00 C ATOM 1559 CG LEU A 108 2.953 64.624 -16.662 1.00 0.00 C ATOM 1560 CD1 LEU A 108 2.663 63.642 -15.524 1.00 0.00 C ATOM 1561 CD2 LEU A 108 3.547 65.909 -16.084 1.00 0.00 C ATOM 0 H LEU A 108 3.644 63.023 -19.883 1.00 0.00 H new ATOM 0 HA LEU A 108 3.347 65.675 -18.835 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.646 62.979 -17.880 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.935 63.925 -17.163 1.00 0.00 H new ATOM 0 HG LEU A 108 2.028 64.854 -17.190 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.950 64.088 -14.831 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.244 62.723 -15.934 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.589 63.414 -14.995 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.836 66.359 -15.392 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.471 65.677 -15.555 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.758 66.608 -16.893 1.00 0.00 H new ATOM 1573 N SER A 109 6.279 64.636 -19.799 1.00 0.00 N ATOM 1574 CA SER A 109 7.665 65.031 -20.022 1.00 0.00 C ATOM 1575 C SER A 109 7.846 65.667 -21.394 1.00 0.00 C ATOM 1576 O SER A 109 8.839 66.345 -21.652 1.00 0.00 O ATOM 1577 CB SER A 109 8.553 63.799 -19.930 1.00 0.00 C ATOM 1578 OG SER A 109 9.725 64.112 -19.191 1.00 0.00 O ATOM 0 H SER A 109 6.011 63.760 -20.248 1.00 0.00 H new ATOM 0 HA SER A 109 7.939 65.763 -19.263 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.013 62.984 -19.448 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.821 63.456 -20.929 1.00 0.00 H new ATOM 0 HG SER A 109 10.296 63.318 -19.131 1.00 0.00 H new ATOM 1584 N LEU A 110 6.891 65.421 -22.272 1.00 0.00 N ATOM 1585 CA LEU A 110 6.951 65.948 -23.630 1.00 0.00 C ATOM 1586 C LEU A 110 6.118 67.213 -23.749 1.00 0.00 C ATOM 1587 O LEU A 110 6.260 67.979 -24.702 1.00 0.00 O ATOM 1588 CB LEU A 110 6.427 64.897 -24.613 1.00 0.00 C ATOM 1589 CG LEU A 110 6.276 65.522 -26.000 1.00 0.00 C ATOM 1590 CD1 LEU A 110 6.669 64.498 -27.064 1.00 0.00 C ATOM 1591 CD2 LEU A 110 4.822 65.946 -26.217 1.00 0.00 C ATOM 0 H LEU A 110 6.063 64.860 -22.072 1.00 0.00 H new ATOM 0 HA LEU A 110 7.988 66.187 -23.865 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.113 64.051 -24.657 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.467 64.511 -24.271 1.00 0.00 H new ATOM 0 HG LEU A 110 6.924 66.396 -26.075 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.562 64.942 -28.054 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.705 64.195 -26.912 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.021 63.625 -26.986 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.717 66.391 -27.206 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.173 65.073 -26.141 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.539 66.676 -25.459 1.00 0.00 H new ATOM 1603 N LEU A 111 5.242 67.421 -22.778 1.00 0.00 N ATOM 1604 CA LEU A 111 4.377 68.596 -22.789 1.00 0.00 C ATOM 1605 C LEU A 111 4.904 69.662 -21.841 1.00 0.00 C ATOM 1606 O LEU A 111 4.614 70.849 -21.994 1.00 0.00 O ATOM 1607 CB LEU A 111 2.959 68.202 -22.379 1.00 0.00 C ATOM 1608 CG LEU A 111 1.965 69.285 -22.809 1.00 0.00 C ATOM 1609 CD1 LEU A 111 0.705 68.626 -23.372 1.00 0.00 C ATOM 1610 CD2 LEU A 111 1.591 70.142 -21.599 1.00 0.00 C ATOM 0 H LEU A 111 5.110 66.800 -21.979 1.00 0.00 H new ATOM 0 HA LEU A 111 4.364 69.003 -23.800 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.691 67.250 -22.837 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.910 68.061 -21.299 1.00 0.00 H new ATOM 0 HG LEU A 111 2.421 69.913 -23.574 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.003 69.396 -23.678 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.969 68.013 -24.234 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.249 67.998 -22.606 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.884 70.913 -21.904 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.135 69.513 -20.835 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.488 70.612 -21.195 1.00 0.00 H new ATOM 1622 N GLU A 112 5.678 69.225 -20.863 1.00 0.00 N ATOM 1623 CA GLU A 112 6.249 70.142 -19.884 1.00 0.00 C ATOM 1624 C GLU A 112 7.770 70.064 -19.894 1.00 0.00 C ATOM 1625 O GLU A 112 8.454 70.981 -19.441 1.00 0.00 O ATOM 1626 CB GLU A 112 5.729 69.804 -18.486 1.00 0.00 C ATOM 1627 CG GLU A 112 4.631 70.795 -18.096 1.00 0.00 C ATOM 1628 CD GLU A 112 5.248 72.036 -17.461 1.00 0.00 C ATOM 1629 OE1 GLU A 112 6.041 72.685 -18.125 1.00 0.00 O ATOM 1630 OE2 GLU A 112 4.920 72.320 -16.322 1.00 0.00 O ATOM 0 H GLU A 112 5.927 68.246 -20.723 1.00 0.00 H new ATOM 0 HA GLU A 112 5.949 71.156 -20.149 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.338 68.787 -18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.544 69.845 -17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.054 71.076 -18.977 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.938 70.326 -17.398 1.00 0.00 H new ATOM 1637 N SER A 113 8.282 68.961 -20.418 1.00 0.00 N ATOM 1638 CA SER A 113 9.725 68.746 -20.497 1.00 0.00 C ATOM 1639 C SER A 113 10.466 69.603 -19.475 1.00 0.00 C ATOM 1640 O SER A 113 11.032 70.641 -19.815 1.00 0.00 O ATOM 1641 CB SER A 113 10.227 69.081 -21.901 1.00 0.00 C ATOM 1642 OG SER A 113 11.340 68.253 -22.211 1.00 0.00 O ATOM 0 H SER A 113 7.721 68.198 -20.796 1.00 0.00 H new ATOM 0 HA SER A 113 9.921 67.697 -20.277 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.431 68.929 -22.630 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.514 70.131 -21.956 1.00 0.00 H new ATOM 0 HG SER A 113 11.664 68.464 -23.112 1.00 0.00 H new ATOM 1648 N PRO A 114 10.474 69.182 -18.240 1.00 0.00 N ATOM 1649 CA PRO A 114 11.162 69.915 -17.144 1.00 0.00 C ATOM 1650 C PRO A 114 12.663 69.632 -17.120 1.00 0.00 C ATOM 1651 O PRO A 114 13.245 69.236 -18.130 1.00 0.00 O ATOM 1652 CB PRO A 114 10.480 69.381 -15.885 1.00 0.00 C ATOM 1653 CG PRO A 114 10.032 67.996 -16.233 1.00 0.00 C ATOM 1654 CD PRO A 114 9.824 67.957 -17.752 1.00 0.00 C ATOM 0 HA PRO A 114 11.084 70.997 -17.252 1.00 0.00 H new ATOM 0 HB2 PRO A 114 11.168 69.371 -15.040 1.00 0.00 H new ATOM 0 HB3 PRO A 114 9.635 70.007 -15.600 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.778 67.262 -15.927 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.108 67.748 -15.711 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.273 67.066 -18.192 1.00 0.00 H new ATOM 0 HD3 PRO A 114 8.765 67.940 -18.008 1.00 0.00 H new ATOM 1662 N LYS A 115 13.283 69.834 -15.963 1.00 0.00 N ATOM 1663 CA LYS A 115 14.713 69.592 -15.824 1.00 0.00 C ATOM 1664 C LYS A 115 14.970 68.131 -15.464 1.00 0.00 C ATOM 1665 O LYS A 115 14.641 67.229 -16.233 1.00 0.00 O ATOM 1666 CB LYS A 115 15.293 70.507 -14.741 1.00 0.00 C ATOM 1667 CG LYS A 115 15.203 71.964 -15.200 1.00 0.00 C ATOM 1668 CD LYS A 115 14.017 72.640 -14.512 1.00 0.00 C ATOM 1669 CE LYS A 115 14.034 74.138 -14.820 1.00 0.00 C ATOM 1670 NZ LYS A 115 13.002 74.826 -13.995 1.00 0.00 N ATOM 0 H LYS A 115 12.822 70.162 -15.114 1.00 0.00 H new ATOM 0 HA LYS A 115 15.200 69.809 -16.774 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.746 70.375 -13.807 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.331 70.241 -14.543 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.126 72.491 -14.959 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.084 72.009 -16.283 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.082 72.198 -14.857 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.067 72.479 -13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.020 74.552 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.839 74.305 -15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.013 75.845 -14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.064 74.437 -14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.208 74.677 -12.987 1.00 0.00 H new ATOM 1684 N ILE A 116 15.550 67.904 -14.291 1.00 0.00 N ATOM 1685 CA ILE A 116 15.833 66.545 -13.843 1.00 0.00 C ATOM 1686 C ILE A 116 15.606 66.423 -12.340 1.00 0.00 C ATOM 1687 O ILE A 116 15.593 67.423 -11.621 1.00 0.00 O ATOM 1688 CB ILE A 116 17.278 66.169 -14.173 1.00 0.00 C ATOM 1689 CG1 ILE A 116 17.723 66.906 -15.439 1.00 0.00 C ATOM 1690 CG2 ILE A 116 17.370 64.661 -14.409 1.00 0.00 C ATOM 1691 CD1 ILE A 116 19.102 66.399 -15.868 1.00 0.00 C ATOM 0 H ILE A 116 15.831 68.635 -13.638 1.00 0.00 H new ATOM 0 HA ILE A 116 15.157 65.865 -14.362 1.00 0.00 H new ATOM 0 HB ILE A 116 17.924 66.450 -13.341 1.00 0.00 H new ATOM 0 HG12 ILE A 116 17.000 66.746 -16.239 1.00 0.00 H new ATOM 0 HG13 ILE A 116 17.760 67.979 -15.253 1.00 0.00 H new ATOM 0 HG21 ILE A 116 18.400 64.392 -14.644 1.00 0.00 H new ATOM 0 HG22 ILE A 116 17.053 64.132 -13.510 1.00 0.00 H new ATOM 0 HG23 ILE A 116 16.723 64.383 -15.241 1.00 0.00 H new ATOM 0 HD11 ILE A 116 19.418 66.924 -16.769 1.00 0.00 H new ATOM 0 HD12 ILE A 116 19.821 66.582 -15.070 1.00 0.00 H new ATOM 0 HD13 ILE A 116 19.050 65.329 -16.071 1.00 0.00 H new ATOM 1703 N GLN A 117 15.426 65.194 -11.873 1.00 0.00 N ATOM 1704 CA GLN A 117 15.200 64.953 -10.453 1.00 0.00 C ATOM 1705 C GLN A 117 16.460 64.397 -9.798 1.00 0.00 C ATOM 1706 O GLN A 117 16.392 63.478 -8.984 1.00 0.00 O ATOM 1707 CB GLN A 117 14.052 63.959 -10.270 1.00 0.00 C ATOM 1708 CG GLN A 117 12.771 64.542 -10.871 1.00 0.00 C ATOM 1709 CD GLN A 117 11.748 63.433 -11.080 1.00 0.00 C ATOM 1710 OE1 GLN A 117 12.075 62.198 -10.814 1.00 0.00 O flip ATOM 1711 NE2 GLN A 117 10.620 63.696 -11.497 1.00 0.00 N flip ATOM 0 H GLN A 117 15.432 64.354 -12.452 1.00 0.00 H new ATOM 0 HA GLN A 117 14.943 65.900 -9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 117 14.295 63.013 -10.754 1.00 0.00 H new ATOM 0 HB3 GLN A 117 13.906 63.747 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 117 12.363 65.306 -10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.993 65.029 -11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.365 64.662 -11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.940 62.948 -11.635 1.00 0.00 H new ATOM 1720 N ALA A 118 17.608 64.961 -10.159 1.00 0.00 N ATOM 1721 CA ALA A 118 18.876 64.512 -9.597 1.00 0.00 C ATOM 1722 C ALA A 118 18.903 62.989 -9.489 1.00 0.00 C ATOM 1723 O ALA A 118 18.109 62.298 -10.126 1.00 0.00 O ATOM 1724 CB ALA A 118 19.082 65.131 -8.214 1.00 0.00 C ATOM 0 H ALA A 118 17.686 65.723 -10.832 1.00 0.00 H new ATOM 0 HA ALA A 118 19.681 64.831 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 118 20.031 64.791 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 118 19.092 66.218 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 118 18.269 64.827 -7.554 1.00 0.00 H new ATOM 1730 N ASP A 119 19.823 62.475 -8.680 1.00 0.00 N ATOM 1731 CA ASP A 119 19.945 61.033 -8.497 1.00 0.00 C ATOM 1732 C ASP A 119 20.754 60.718 -7.243 1.00 0.00 C ATOM 1733 O ASP A 119 20.205 60.609 -6.147 1.00 0.00 O ATOM 1734 CB ASP A 119 20.629 60.406 -9.714 1.00 0.00 C ATOM 1735 CG ASP A 119 19.590 60.016 -10.759 1.00 0.00 C ATOM 1736 OD1 ASP A 119 19.262 60.855 -11.582 1.00 0.00 O ATOM 1737 OD2 ASP A 119 19.138 58.883 -10.723 1.00 0.00 O ATOM 0 H ASP A 119 20.490 63.030 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 119 18.944 60.616 -8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 119 21.341 61.111 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 119 21.196 59.527 -9.409 1.00 0.00 H new ATOM 1742 N GLY A 120 22.064 60.571 -7.416 1.00 0.00 N ATOM 1743 CA GLY A 120 22.947 60.267 -6.294 1.00 0.00 C ATOM 1744 C GLY A 120 22.784 61.290 -5.177 1.00 0.00 C ATOM 1745 O GLY A 120 22.782 62.473 -5.479 1.00 0.00 O ATOM 0 H GLY A 120 22.536 60.657 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.727 59.270 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 120 23.983 60.257 -6.634 1.00 0.00 H new TER 1749 GLY A 120