USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 883 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 2 ASN : amide:sc= 1.22 K(o=0.78,f=-1.9!) USER MOD Set 1.2: A 109 TYR OH : rot 30:sc= -0.443 USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -0.182 F(o=-2.6!,f=-0.27) USER MOD Set 2.2: A 93 MET CE :methyl 135:sc= -0.088 (180deg=-0.508) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 SER OG : rot 106:sc= 1.26 USER MOD Set 4.1: A 52 TYR OH : rot 26:sc= -1.09! USER MOD Set 4.2: A 81 LYS NZ :NH3+ -156:sc= -2.09! (180deg=-3.31!) USER MOD Set 5.1: A 34 MET CE :methyl 175:sc= -1.21 (180deg=-1.27) USER MOD Set 5.2: A 58 HIS : no HE2:sc= 0.097 K(o=-1.1,f=-2) USER MOD Set 6.1: A 7 ASN : amide:sc= -3.02! C(o=-2.5!,f=-8.6!) USER MOD Set 6.2: A 113 THR OG1 : rot -46:sc= 0.532 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.43 (180deg=0.592) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00603 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.947 F(o=-4.3!,f=-0.95) USER MOD Single : A 9 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.3) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 1.17 (180deg=1.11) USER MOD Single : A 15 SER OG : rot 22:sc= 0.0983 USER MOD Single : A 20 SER OG : rot -99:sc= 1.29 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 42:sc= 1.15 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -120:sc= -0.0691 USER MOD Single : A 45 GLN : amide:sc= -1.33! C(o=-1.3!,f=-1.8!) USER MOD Single : A 47 SER OG : rot 92:sc= -0.827 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00142) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 80:sc= -1.03 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc=-0.000566 (180deg=-0.0214) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.825 K(o=-0.82,f=-1.6) USER MOD Single : A 89 GLN : amide:sc= 1.09 K(o=1.1,f=-7!) USER MOD Single : A 91 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.03) USER MOD Single : A 95 THR OG1 : rot 101:sc= 1.17 USER MOD Single : A 96 SER OG : rot -120:sc= -0.0205 USER MOD Single : A 98 MET CE :methyl -104:sc= -0.776 (180deg=-1.4) USER MOD Single : A 103 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-4.5!) USER MOD Single : A 105 THR OG1 : rot 180:sc=-0.00403 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.782 1.356 10.878 1.00 0.00 N ATOM 2 CA MET A 1 0.423 1.440 10.308 1.00 0.00 C ATOM 3 C MET A 1 0.450 2.400 9.113 1.00 0.00 C ATOM 4 O MET A 1 1.500 2.601 8.516 1.00 0.00 O ATOM 5 CB MET A 1 -0.593 1.903 11.380 1.00 0.00 C ATOM 6 CG MET A 1 -0.480 3.364 11.829 1.00 0.00 C ATOM 7 SD MET A 1 1.095 3.773 12.601 1.00 0.00 S ATOM 8 CE MET A 1 0.826 5.494 13.025 1.00 0.00 C ATOM 0 H1 MET A 1 1.884 0.464 11.403 1.00 0.00 H new ATOM 0 H2 MET A 1 2.483 1.388 10.110 1.00 0.00 H new ATOM 0 H3 MET A 1 1.938 2.157 11.523 1.00 0.00 H new ATOM 0 HA MET A 1 0.103 0.455 9.969 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.599 1.740 10.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.482 1.265 12.257 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.628 4.012 10.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.285 3.581 12.532 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.716 5.892 13.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.623 6.065 12.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.025 5.573 13.702 1.00 0.00 H new ATOM 18 N ASN A 2 -0.699 2.964 8.743 1.00 0.00 N ATOM 19 CA ASN A 2 -0.748 3.936 7.666 1.00 0.00 C ATOM 20 C ASN A 2 -0.623 5.300 8.277 1.00 0.00 C ATOM 21 O ASN A 2 0.466 5.844 8.288 1.00 0.00 O ATOM 22 CB ASN A 2 -2.034 3.848 6.851 1.00 0.00 C ATOM 23 CG ASN A 2 -2.156 2.581 6.067 1.00 0.00 C ATOM 24 OD1 ASN A 2 -2.718 1.603 6.551 1.00 0.00 O ATOM 25 ND2 ASN A 2 -1.631 2.590 4.859 1.00 0.00 N ATOM 0 H ASN A 2 -1.601 2.762 9.174 1.00 0.00 H new ATOM 0 HA ASN A 2 0.069 3.731 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.888 3.934 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.080 4.695 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.680 1.755 4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.175 3.432 4.507 1.00 0.00 H new ATOM 32 N THR A 3 -1.766 5.788 8.817 1.00 0.00 N ATOM 33 CA THR A 3 -1.899 7.023 9.605 1.00 0.00 C ATOM 34 C THR A 3 -3.195 7.788 9.267 1.00 0.00 C ATOM 35 O THR A 3 -3.779 7.674 8.163 1.00 0.00 O ATOM 36 CB THR A 3 -0.670 7.980 9.571 1.00 0.00 C ATOM 37 OG1 THR A 3 -0.767 8.940 10.630 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.551 8.717 8.249 1.00 0.00 C ATOM 0 H THR A 3 -2.657 5.304 8.706 1.00 0.00 H new ATOM 0 HA THR A 3 -1.951 6.665 10.633 1.00 0.00 H new ATOM 0 HB THR A 3 0.219 7.362 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.010 9.537 10.603 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.320 9.371 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.440 7.996 7.439 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.448 9.314 8.083 1.00 0.00 H new ATOM 46 N ASP A 4 -3.640 8.530 10.246 1.00 0.00 N ATOM 47 CA ASP A 4 -4.835 9.354 10.200 1.00 0.00 C ATOM 48 C ASP A 4 -4.560 10.683 9.525 1.00 0.00 C ATOM 49 O ASP A 4 -4.233 11.668 10.186 1.00 0.00 O ATOM 50 CB ASP A 4 -5.383 9.647 11.595 1.00 0.00 C ATOM 51 CG ASP A 4 -5.735 8.437 12.406 1.00 0.00 C ATOM 52 OD1 ASP A 4 -4.839 7.898 13.082 1.00 0.00 O ATOM 53 OD2 ASP A 4 -6.908 8.046 12.418 1.00 0.00 O ATOM 0 H ASP A 4 -3.161 8.584 11.145 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.569 8.784 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.644 10.231 12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.272 10.270 11.496 1.00 0.00 H new ATOM 58 N VAL A 5 -4.686 10.696 8.209 1.00 0.00 N ATOM 59 CA VAL A 5 -4.506 11.883 7.384 1.00 0.00 C ATOM 60 C VAL A 5 -4.643 11.443 5.947 1.00 0.00 C ATOM 61 O VAL A 5 -5.183 12.133 5.091 1.00 0.00 O ATOM 62 CB VAL A 5 -3.148 12.600 7.633 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.941 11.830 7.123 1.00 0.00 C ATOM 64 CG2 VAL A 5 -3.171 14.038 7.150 1.00 0.00 C ATOM 0 H VAL A 5 -4.922 9.863 7.670 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.262 12.624 7.643 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.023 12.626 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.033 12.395 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.890 10.862 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.033 11.680 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.204 14.502 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.377 14.059 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.949 14.587 7.680 1.00 0.00 H new ATOM 74 N LEU A 6 -4.221 10.229 5.714 1.00 0.00 N ATOM 75 CA LEU A 6 -4.312 9.649 4.413 1.00 0.00 C ATOM 76 C LEU A 6 -5.408 8.644 4.302 1.00 0.00 C ATOM 77 O LEU A 6 -6.316 8.831 3.553 1.00 0.00 O ATOM 78 CB LEU A 6 -2.943 9.133 3.940 1.00 0.00 C ATOM 79 CG LEU A 6 -2.044 8.417 4.977 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.437 6.999 5.305 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.574 8.531 4.636 1.00 0.00 C ATOM 0 H LEU A 6 -3.807 9.621 6.421 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.599 10.439 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.112 8.445 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.385 9.980 3.541 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.221 8.966 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.744 6.590 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.448 6.987 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.404 6.394 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.016 8.013 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.391 8.080 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.287 9.582 4.609 1.00 0.00 H new ATOM 93 N ASN A 7 -5.401 7.660 5.114 1.00 0.00 N ATOM 94 CA ASN A 7 -6.269 6.572 4.915 1.00 0.00 C ATOM 95 C ASN A 7 -7.636 6.904 5.356 1.00 0.00 C ATOM 96 O ASN A 7 -8.540 6.530 4.741 1.00 0.00 O ATOM 97 CB ASN A 7 -5.762 5.346 5.610 1.00 0.00 C ATOM 98 CG ASN A 7 -6.287 4.088 4.916 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.390 3.603 5.192 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.500 3.531 4.022 1.00 0.00 N ATOM 0 H ASN A 7 -4.796 7.587 5.932 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.303 6.359 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.672 5.343 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.079 5.353 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.796 2.682 3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.594 3.948 3.810 1.00 0.00 H new ATOM 107 N GLN A 8 -7.777 7.673 6.391 1.00 0.00 N ATOM 108 CA GLN A 8 -9.106 8.057 6.780 1.00 0.00 C ATOM 109 C GLN A 8 -9.523 9.403 6.194 1.00 0.00 C ATOM 110 O GLN A 8 -10.690 9.675 6.067 1.00 0.00 O ATOM 111 CB GLN A 8 -9.396 7.858 8.285 1.00 0.00 C ATOM 112 CG GLN A 8 -8.346 8.386 9.246 1.00 0.00 C ATOM 113 CD GLN A 8 -8.285 9.889 9.316 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.513 10.486 8.446 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -8.940 10.514 10.133 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.019 8.039 6.967 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.786 7.345 6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.346 8.339 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.525 6.792 8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.549 7.993 10.242 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.369 8.006 8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.533 10.018 10.798 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.895 11.533 10.151 1.00 0.00 H new ATOM 124 N GLN A 9 -8.573 10.214 5.718 1.00 0.00 N ATOM 125 CA GLN A 9 -8.980 11.465 5.122 1.00 0.00 C ATOM 126 C GLN A 9 -9.007 11.338 3.632 1.00 0.00 C ATOM 127 O GLN A 9 -10.015 11.571 3.038 1.00 0.00 O ATOM 128 CB GLN A 9 -8.171 12.682 5.567 1.00 0.00 C ATOM 129 CG GLN A 9 -8.540 13.203 6.944 1.00 0.00 C ATOM 130 CD GLN A 9 -7.670 14.362 7.376 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.514 14.466 6.978 1.00 0.00 O ATOM 132 NE2 GLN A 9 -8.200 15.224 8.205 1.00 0.00 N ATOM 0 H GLN A 9 -7.570 10.031 5.735 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.986 11.661 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.112 12.423 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.308 13.482 4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.584 13.517 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.451 12.395 7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.165 15.107 8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.649 16.014 8.541 1.00 0.00 H new ATOM 141 N LYS A 10 -7.908 10.889 3.036 1.00 0.00 N ATOM 142 CA LYS A 10 -7.858 10.670 1.589 1.00 0.00 C ATOM 143 C LYS A 10 -8.844 9.608 1.191 1.00 0.00 C ATOM 144 O LYS A 10 -9.359 9.646 0.088 1.00 0.00 O ATOM 145 CB LYS A 10 -6.442 10.334 1.056 1.00 0.00 C ATOM 146 CG LYS A 10 -5.558 11.486 0.524 1.00 0.00 C ATOM 147 CD LYS A 10 -5.173 12.575 1.534 1.00 0.00 C ATOM 148 CE LYS A 10 -6.376 13.359 2.004 1.00 0.00 C ATOM 149 NZ LYS A 10 -6.034 14.566 2.785 1.00 0.00 N ATOM 0 H LYS A 10 -7.041 10.669 3.527 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.131 11.617 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.895 9.841 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.555 9.606 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.642 11.055 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.079 11.960 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.681 12.117 2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.453 13.254 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.967 13.654 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.006 12.710 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.886 15.149 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.664 14.284 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.312 15.115 2.277 1.00 0.00 H new ATOM 163 N ILE A 11 -9.142 8.669 2.076 1.00 0.00 N ATOM 164 CA ILE A 11 -10.184 7.734 1.712 1.00 0.00 C ATOM 165 C ILE A 11 -11.543 8.424 1.740 1.00 0.00 C ATOM 166 O ILE A 11 -12.401 8.153 0.916 1.00 0.00 O ATOM 167 CB ILE A 11 -10.185 6.471 2.578 1.00 0.00 C ATOM 168 CG1 ILE A 11 -10.511 5.264 1.751 1.00 0.00 C ATOM 169 CG2 ILE A 11 -11.217 6.553 3.733 1.00 0.00 C ATOM 170 CD1 ILE A 11 -10.089 4.021 2.433 1.00 0.00 C ATOM 0 H ILE A 11 -8.709 8.539 2.990 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.975 7.400 0.696 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.184 6.389 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.583 5.230 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.015 5.338 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.181 5.635 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.979 7.402 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.217 6.680 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.338 3.162 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.013 4.047 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.605 3.938 3.389 1.00 0.00 H new ATOM 182 N GLU A 12 -11.737 9.314 2.682 1.00 0.00 N ATOM 183 CA GLU A 12 -12.964 10.026 2.714 1.00 0.00 C ATOM 184 C GLU A 12 -13.090 10.942 1.491 1.00 0.00 C ATOM 185 O GLU A 12 -14.019 10.797 0.699 1.00 0.00 O ATOM 186 CB GLU A 12 -13.157 10.730 4.059 1.00 0.00 C ATOM 187 CG GLU A 12 -13.570 9.764 5.162 1.00 0.00 C ATOM 188 CD GLU A 12 -14.010 10.450 6.436 1.00 0.00 C ATOM 189 OE1 GLU A 12 -14.996 11.213 6.400 1.00 0.00 O ATOM 190 OE2 GLU A 12 -13.431 10.180 7.514 1.00 0.00 O ATOM 0 H GLU A 12 -11.070 9.550 3.416 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.794 9.323 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.230 11.227 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.916 11.506 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.383 9.137 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.733 9.103 5.386 1.00 0.00 H new ATOM 197 N GLU A 13 -12.086 11.771 1.295 1.00 0.00 N ATOM 198 CA GLU A 13 -12.058 12.779 0.233 1.00 0.00 C ATOM 199 C GLU A 13 -11.953 12.155 -1.159 1.00 0.00 C ATOM 200 O GLU A 13 -12.765 12.437 -2.041 1.00 0.00 O ATOM 201 CB GLU A 13 -10.854 13.710 0.406 1.00 0.00 C ATOM 202 CG GLU A 13 -10.605 14.171 1.822 1.00 0.00 C ATOM 203 CD GLU A 13 -9.610 15.294 1.906 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.786 16.308 1.189 1.00 0.00 O ATOM 205 OE2 GLU A 13 -8.651 15.192 2.677 1.00 0.00 O ATOM 0 H GLU A 13 -11.247 11.770 1.875 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.996 13.328 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.962 13.198 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.997 14.586 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.547 14.494 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.246 13.330 2.415 1.00 0.00 H new ATOM 212 N LEU A 14 -10.943 11.318 -1.347 1.00 0.00 N ATOM 213 CA LEU A 14 -10.619 10.769 -2.657 1.00 0.00 C ATOM 214 C LEU A 14 -11.348 9.512 -2.955 1.00 0.00 C ATOM 215 O LEU A 14 -11.792 9.329 -4.082 1.00 0.00 O ATOM 216 CB LEU A 14 -9.135 10.522 -2.850 1.00 0.00 C ATOM 217 CG LEU A 14 -8.262 11.731 -3.135 1.00 0.00 C ATOM 218 CD1 LEU A 14 -8.222 12.690 -1.963 1.00 0.00 C ATOM 219 CD2 LEU A 14 -6.881 11.279 -3.498 1.00 0.00 C ATOM 0 H LEU A 14 -10.326 11.001 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.942 11.542 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.754 10.034 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.014 9.817 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.698 12.274 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.586 13.540 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.231 13.042 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.820 12.179 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.256 12.148 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.455 10.712 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.926 10.648 -4.386 1.00 0.00 H new ATOM 231 N SER A 15 -11.430 8.612 -1.988 1.00 0.00 N ATOM 232 CA SER A 15 -12.182 7.434 -2.217 1.00 0.00 C ATOM 233 C SER A 15 -13.643 7.826 -2.355 1.00 0.00 C ATOM 234 O SER A 15 -14.121 7.827 -3.469 1.00 0.00 O ATOM 235 CB SER A 15 -11.854 6.311 -1.214 1.00 0.00 C ATOM 236 OG SER A 15 -10.512 5.896 -1.397 1.00 0.00 O ATOM 0 H SER A 15 -10.992 8.688 -1.070 1.00 0.00 H new ATOM 0 HA SER A 15 -11.898 6.963 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.001 6.665 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.530 5.469 -1.360 1.00 0.00 H new ATOM 0 HG SER A 15 -10.008 6.607 -1.845 1.00 0.00 H new ATOM 242 N ALA A 16 -14.338 8.182 -1.268 1.00 0.00 N ATOM 243 CA ALA A 16 -15.694 8.752 -1.399 1.00 0.00 C ATOM 244 C ALA A 16 -16.613 7.980 -2.373 1.00 0.00 C ATOM 245 O ALA A 16 -16.575 6.761 -2.449 1.00 0.00 O ATOM 246 CB ALA A 16 -15.525 10.193 -1.875 1.00 0.00 C ATOM 0 H ALA A 16 -14.000 8.091 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.188 8.686 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.505 10.657 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.940 10.751 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.009 10.201 -2.835 1.00 0.00 H new ATOM 252 N GLU A 17 -17.383 8.737 -3.149 1.00 0.00 N ATOM 253 CA GLU A 17 -18.318 8.278 -4.191 1.00 0.00 C ATOM 254 C GLU A 17 -17.640 7.365 -5.219 1.00 0.00 C ATOM 255 O GLU A 17 -18.302 6.658 -5.978 1.00 0.00 O ATOM 256 CB GLU A 17 -18.847 9.487 -4.932 1.00 0.00 C ATOM 257 CG GLU A 17 -19.373 10.598 -4.045 1.00 0.00 C ATOM 258 CD GLU A 17 -19.878 11.770 -4.845 1.00 0.00 C ATOM 259 OE1 GLU A 17 -19.374 12.008 -5.967 1.00 0.00 O ATOM 260 OE2 GLU A 17 -20.784 12.480 -4.364 1.00 0.00 O ATOM 0 H GLU A 17 -17.376 9.754 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.111 7.717 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.051 9.888 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.646 9.165 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.178 10.212 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.581 10.932 -3.374 1.00 0.00 H new ATOM 267 N ILE A 18 -16.336 7.375 -5.217 1.00 0.00 N ATOM 268 CA ILE A 18 -15.560 6.505 -6.025 1.00 0.00 C ATOM 269 C ILE A 18 -15.093 5.306 -5.213 1.00 0.00 C ATOM 270 O ILE A 18 -15.870 4.356 -5.059 1.00 0.00 O ATOM 271 CB ILE A 18 -14.492 7.215 -6.947 1.00 0.00 C ATOM 272 CG1 ILE A 18 -13.398 6.263 -7.462 1.00 0.00 C ATOM 273 CG2 ILE A 18 -13.926 8.497 -6.351 1.00 0.00 C ATOM 274 CD1 ILE A 18 -12.321 6.928 -8.303 1.00 0.00 C ATOM 0 H ILE A 18 -15.781 8.005 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.209 6.096 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.052 7.527 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.925 5.779 -6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -13.868 5.477 -8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.200 8.929 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.735 9.208 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.438 8.273 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.594 6.180 -8.621 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.776 7.388 -9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.819 7.694 -7.712 1.00 0.00 H new ATOM 286 N GLY A 19 -13.887 5.272 -4.672 1.00 0.00 N ATOM 287 CA GLY A 19 -13.320 4.189 -3.925 1.00 0.00 C ATOM 288 C GLY A 19 -14.051 3.660 -2.705 1.00 0.00 C ATOM 289 O GLY A 19 -13.601 2.663 -2.185 1.00 0.00 O ATOM 0 H GLY A 19 -13.244 6.059 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.184 3.354 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.327 4.500 -3.601 1.00 0.00 H new ATOM 293 N SER A 20 -15.143 4.251 -2.221 1.00 0.00 N ATOM 294 CA SER A 20 -15.848 3.626 -1.091 1.00 0.00 C ATOM 295 C SER A 20 -16.420 2.286 -1.579 1.00 0.00 C ATOM 296 O SER A 20 -16.579 1.329 -0.830 1.00 0.00 O ATOM 297 CB SER A 20 -16.965 4.549 -0.587 1.00 0.00 C ATOM 298 OG SER A 20 -17.949 4.749 -1.602 1.00 0.00 O ATOM 0 H SER A 20 -15.548 5.120 -2.569 1.00 0.00 H new ATOM 0 HA SER A 20 -15.165 3.456 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.431 4.115 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.544 5.509 -0.288 1.00 0.00 H new ATOM 0 HG SER A 20 -17.787 5.605 -2.050 1.00 0.00 H new ATOM 304 N ASP A 21 -16.653 2.256 -2.885 1.00 0.00 N ATOM 305 CA ASP A 21 -17.104 1.052 -3.567 1.00 0.00 C ATOM 306 C ASP A 21 -15.957 0.302 -4.226 1.00 0.00 C ATOM 307 O ASP A 21 -15.777 -0.896 -4.006 1.00 0.00 O ATOM 308 CB ASP A 21 -18.053 1.478 -4.677 1.00 0.00 C ATOM 309 CG ASP A 21 -19.022 0.408 -5.128 1.00 0.00 C ATOM 310 OD1 ASP A 21 -18.597 -0.664 -5.586 1.00 0.00 O ATOM 311 OD2 ASP A 21 -20.256 0.639 -5.023 1.00 0.00 O ATOM 0 H ASP A 21 -16.535 3.063 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.572 0.400 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.622 2.344 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.464 1.800 -5.536 1.00 0.00 H new ATOM 316 N ASN A 22 -15.128 1.035 -4.960 1.00 0.00 N ATOM 317 CA ASN A 22 -14.174 0.400 -5.862 1.00 0.00 C ATOM 318 C ASN A 22 -12.886 0.003 -5.170 1.00 0.00 C ATOM 319 O ASN A 22 -12.330 -1.060 -5.444 1.00 0.00 O ATOM 320 CB ASN A 22 -13.877 1.332 -7.054 1.00 0.00 C ATOM 321 CG ASN A 22 -12.818 0.800 -8.018 1.00 0.00 C ATOM 322 OD1 ASN A 22 -13.125 0.067 -8.953 1.00 0.00 O ATOM 323 ND2 ASN A 22 -11.571 1.212 -7.837 1.00 0.00 N ATOM 0 H ASN A 22 -15.096 2.054 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.634 -0.521 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.801 1.503 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.551 2.299 -6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.838 0.920 -8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.344 1.821 -7.051 1.00 0.00 H new ATOM 330 N VAL A 23 -12.422 0.833 -4.255 1.00 0.00 N ATOM 331 CA VAL A 23 -11.131 0.585 -3.653 1.00 0.00 C ATOM 332 C VAL A 23 -11.062 -0.688 -2.773 1.00 0.00 C ATOM 333 O VAL A 23 -10.056 -1.380 -2.848 1.00 0.00 O ATOM 334 CB VAL A 23 -10.455 1.835 -3.016 1.00 0.00 C ATOM 335 CG1 VAL A 23 -10.715 1.999 -1.521 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.980 1.862 -3.353 1.00 0.00 C ATOM 0 H VAL A 23 -12.908 1.665 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.498 0.352 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.932 2.707 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.208 2.894 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.787 2.094 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.336 1.127 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.520 2.741 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.502 0.962 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.855 1.902 -4.435 1.00 0.00 H new ATOM 346 N PRO A 24 -12.111 -1.074 -1.962 1.00 0.00 N ATOM 347 CA PRO A 24 -12.064 -2.337 -1.205 1.00 0.00 C ATOM 348 C PRO A 24 -11.981 -3.517 -2.164 1.00 0.00 C ATOM 349 O PRO A 24 -11.287 -4.499 -1.903 1.00 0.00 O ATOM 350 CB PRO A 24 -13.390 -2.368 -0.431 1.00 0.00 C ATOM 351 CG PRO A 24 -13.827 -0.952 -0.385 1.00 0.00 C ATOM 352 CD PRO A 24 -13.372 -0.352 -1.680 1.00 0.00 C ATOM 0 HA PRO A 24 -11.198 -2.401 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.128 -2.995 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.255 -2.774 0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.909 -0.878 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.385 -0.432 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.106 -0.499 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.210 0.722 -1.591 1.00 0.00 H new ATOM 360 N VAL A 25 -12.694 -3.376 -3.279 1.00 0.00 N ATOM 361 CA VAL A 25 -12.663 -4.400 -4.316 1.00 0.00 C ATOM 362 C VAL A 25 -11.236 -4.590 -4.845 1.00 0.00 C ATOM 363 O VAL A 25 -10.735 -5.711 -4.905 1.00 0.00 O ATOM 364 CB VAL A 25 -13.631 -4.072 -5.487 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.579 -5.142 -6.571 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.055 -3.920 -4.971 1.00 0.00 C ATOM 0 H VAL A 25 -13.291 -2.575 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.001 -5.331 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.308 -3.129 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.268 -4.880 -7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.566 -5.208 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.865 -6.104 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.721 -3.690 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.372 -4.850 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.093 -3.111 -4.242 1.00 0.00 H new ATOM 376 N LEU A 26 -10.583 -3.479 -5.150 1.00 0.00 N ATOM 377 CA LEU A 26 -9.267 -3.468 -5.766 1.00 0.00 C ATOM 378 C LEU A 26 -8.209 -3.959 -4.755 1.00 0.00 C ATOM 379 O LEU A 26 -7.431 -4.879 -5.021 1.00 0.00 O ATOM 380 CB LEU A 26 -8.970 -1.999 -6.200 1.00 0.00 C ATOM 381 CG LEU A 26 -7.962 -1.749 -7.355 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.611 -2.382 -7.093 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.549 -2.240 -8.670 1.00 0.00 C ATOM 0 H LEU A 26 -10.958 -2.547 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.235 -4.132 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.917 -1.541 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.607 -1.463 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.792 -0.674 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.945 -2.177 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.185 -1.966 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.730 -3.459 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.837 -2.061 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.757 -3.308 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.474 -1.703 -8.878 1.00 0.00 H new ATOM 395 N LEU A 27 -8.175 -3.242 -3.665 1.00 0.00 N ATOM 396 CA LEU A 27 -7.205 -3.514 -2.633 1.00 0.00 C ATOM 397 C LEU A 27 -7.244 -5.000 -2.250 1.00 0.00 C ATOM 398 O LEU A 27 -6.238 -5.671 -2.310 1.00 0.00 O ATOM 399 CB LEU A 27 -7.425 -2.561 -1.435 1.00 0.00 C ATOM 400 CG LEU A 27 -8.498 -2.896 -0.370 1.00 0.00 C ATOM 401 CD1 LEU A 27 -7.972 -3.839 0.710 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.024 -1.631 0.256 1.00 0.00 C ATOM 0 H LEU A 27 -8.806 -2.465 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.198 -3.318 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.471 -2.466 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.666 -1.579 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.309 -3.413 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.763 -4.042 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.650 -4.774 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.127 -3.375 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.778 -1.881 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.205 -1.093 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.471 -1.002 -0.514 1.00 0.00 H new ATOM 414 N ASP A 28 -8.422 -5.534 -1.989 1.00 0.00 N ATOM 415 CA ASP A 28 -8.535 -6.924 -1.562 1.00 0.00 C ATOM 416 C ASP A 28 -8.075 -7.916 -2.624 1.00 0.00 C ATOM 417 O ASP A 28 -7.431 -8.913 -2.293 1.00 0.00 O ATOM 418 CB ASP A 28 -9.953 -7.227 -1.118 1.00 0.00 C ATOM 419 CG ASP A 28 -10.173 -8.674 -0.748 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.552 -9.484 -1.621 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.012 -9.022 0.437 1.00 0.00 O ATOM 0 H ASP A 28 -9.309 -5.036 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.860 -7.048 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.199 -6.600 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.641 -6.956 -1.919 1.00 0.00 H new ATOM 426 N ILE A 29 -8.333 -7.623 -3.893 1.00 0.00 N ATOM 427 CA ILE A 29 -7.974 -8.567 -4.939 1.00 0.00 C ATOM 428 C ILE A 29 -6.482 -8.548 -5.158 1.00 0.00 C ATOM 429 O ILE A 29 -5.840 -9.575 -5.139 1.00 0.00 O ATOM 430 CB ILE A 29 -8.714 -8.351 -6.302 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.506 -6.918 -6.818 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.189 -8.689 -6.171 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.051 -6.593 -8.185 1.00 0.00 C ATOM 0 H ILE A 29 -8.777 -6.763 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.303 -9.542 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.283 -9.029 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.958 -6.232 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.436 -6.713 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.685 -8.532 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.298 -9.732 -5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.644 -8.046 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.836 -5.552 -8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.583 -7.240 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.129 -6.752 -8.194 1.00 0.00 H new ATOM 445 N PHE A 30 -5.924 -7.370 -5.269 1.00 0.00 N ATOM 446 CA PHE A 30 -4.547 -7.217 -5.632 1.00 0.00 C ATOM 447 C PHE A 30 -3.607 -7.492 -4.482 1.00 0.00 C ATOM 448 O PHE A 30 -2.458 -7.808 -4.681 1.00 0.00 O ATOM 449 CB PHE A 30 -4.358 -5.873 -6.275 1.00 0.00 C ATOM 450 CG PHE A 30 -4.730 -5.808 -7.745 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.298 -6.894 -8.408 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.491 -4.655 -8.466 1.00 0.00 C ATOM 453 CE1 PHE A 30 -5.614 -6.817 -9.750 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.807 -4.571 -9.804 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.368 -5.652 -10.450 1.00 0.00 C ATOM 0 H PHE A 30 -6.416 -6.491 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.280 -7.976 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.954 -5.140 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.314 -5.578 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.494 -7.807 -7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.048 -3.803 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.053 -7.667 -10.252 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.615 -3.658 -10.347 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.614 -5.588 -11.500 1.00 0.00 H new ATOM 465 N LEU A 31 -4.156 -7.526 -3.306 1.00 0.00 N ATOM 466 CA LEU A 31 -3.418 -7.926 -2.175 1.00 0.00 C ATOM 467 C LEU A 31 -3.551 -9.424 -2.061 1.00 0.00 C ATOM 468 O LEU A 31 -2.555 -10.106 -1.983 1.00 0.00 O ATOM 469 CB LEU A 31 -3.902 -7.161 -0.927 1.00 0.00 C ATOM 470 CG LEU A 31 -3.475 -5.685 -0.733 1.00 0.00 C ATOM 471 CD1 LEU A 31 -3.421 -4.847 -2.005 1.00 0.00 C ATOM 472 CD2 LEU A 31 -4.379 -5.030 0.296 1.00 0.00 C ATOM 0 H LEU A 31 -5.126 -7.276 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.360 -7.683 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.992 -7.190 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.568 -7.717 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.443 -5.720 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.112 -3.831 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.705 -5.286 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.408 -4.824 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.080 -3.991 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.412 -5.068 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.295 -5.561 1.244 1.00 0.00 H new ATOM 484 N GLY A 32 -4.777 -9.936 -2.164 1.00 0.00 N ATOM 485 CA GLY A 32 -5.052 -11.360 -2.089 1.00 0.00 C ATOM 486 C GLY A 32 -4.323 -12.188 -3.142 1.00 0.00 C ATOM 487 O GLY A 32 -3.745 -13.202 -2.806 1.00 0.00 O ATOM 0 H GLY A 32 -5.610 -9.365 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.773 -11.722 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.125 -11.519 -2.196 1.00 0.00 H new ATOM 491 N GLU A 33 -4.336 -11.760 -4.405 1.00 0.00 N ATOM 492 CA GLU A 33 -3.642 -12.477 -5.506 1.00 0.00 C ATOM 493 C GLU A 33 -2.131 -12.457 -5.267 1.00 0.00 C ATOM 494 O GLU A 33 -1.419 -13.443 -5.473 1.00 0.00 O ATOM 495 CB GLU A 33 -3.935 -11.801 -6.852 1.00 0.00 C ATOM 496 CG GLU A 33 -5.411 -11.653 -7.177 1.00 0.00 C ATOM 497 CD GLU A 33 -6.137 -12.968 -7.278 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.130 -13.571 -8.373 1.00 0.00 O ATOM 499 OE2 GLU A 33 -6.728 -13.420 -6.277 1.00 0.00 O ATOM 0 H GLU A 33 -4.821 -10.914 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.004 -13.505 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.475 -10.813 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.458 -12.377 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.885 -11.043 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.516 -11.116 -8.120 1.00 0.00 H new ATOM 506 N MET A 34 -1.692 -11.317 -4.787 1.00 0.00 N ATOM 507 CA MET A 34 -0.269 -11.209 -4.477 1.00 0.00 C ATOM 508 C MET A 34 0.105 -12.096 -3.329 1.00 0.00 C ATOM 509 O MET A 34 1.108 -12.815 -3.356 1.00 0.00 O ATOM 510 CB MET A 34 0.082 -9.835 -4.101 1.00 0.00 C ATOM 511 CG MET A 34 0.142 -8.899 -5.286 1.00 0.00 C ATOM 512 SD MET A 34 1.257 -9.487 -6.577 1.00 0.00 S ATOM 513 CE MET A 34 0.805 -8.376 -7.896 1.00 0.00 C ATOM 0 H MET A 34 -2.257 -10.487 -4.607 1.00 0.00 H new ATOM 0 HA MET A 34 0.270 -11.509 -5.376 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.650 -9.461 -3.386 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.048 -9.837 -3.597 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.859 -8.780 -5.702 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.467 -7.914 -4.951 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.462 -8.539 -8.751 1.00 0.00 H new ATOM 0 HE2 MET A 34 -0.228 -8.562 -8.191 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.904 -7.346 -7.554 1.00 0.00 H new ATOM 523 N ASP A 35 -0.762 -12.127 -2.360 1.00 0.00 N ATOM 524 CA ASP A 35 -0.669 -12.866 -1.138 1.00 0.00 C ATOM 525 C ASP A 35 -0.700 -14.331 -1.444 1.00 0.00 C ATOM 526 O ASP A 35 -0.015 -15.149 -0.806 1.00 0.00 O ATOM 527 CB ASP A 35 -1.905 -12.489 -0.350 1.00 0.00 C ATOM 528 CG ASP A 35 -2.141 -13.335 0.882 1.00 0.00 C ATOM 529 OD1 ASP A 35 -1.469 -13.137 1.907 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.999 -14.242 0.836 1.00 0.00 O ATOM 0 H ASP A 35 -1.627 -11.588 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 35 0.249 -12.649 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.825 -11.444 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.775 -12.567 -1.002 1.00 0.00 H new ATOM 535 N SER A 36 -1.468 -14.626 -2.470 1.00 0.00 N ATOM 536 CA SER A 36 -1.672 -15.971 -2.912 1.00 0.00 C ATOM 537 C SER A 36 -0.390 -16.530 -3.293 1.00 0.00 C ATOM 538 O SER A 36 0.091 -17.543 -2.778 1.00 0.00 O ATOM 539 CB SER A 36 -2.494 -16.058 -4.176 1.00 0.00 C ATOM 540 OG SER A 36 -3.794 -15.509 -4.014 1.00 0.00 O ATOM 0 H SER A 36 -1.968 -13.927 -3.019 1.00 0.00 H new ATOM 0 HA SER A 36 -2.172 -16.486 -2.092 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.978 -15.532 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.578 -17.101 -4.481 1.00 0.00 H new ATOM 0 HG SER A 36 -3.736 -14.677 -3.500 1.00 0.00 H new ATOM 546 N TYR A 37 0.178 -15.780 -4.172 1.00 0.00 N ATOM 547 CA TYR A 37 1.303 -16.179 -4.824 1.00 0.00 C ATOM 548 C TYR A 37 2.449 -16.327 -3.990 1.00 0.00 C ATOM 549 O TYR A 37 2.992 -17.364 -3.969 1.00 0.00 O ATOM 550 CB TYR A 37 1.517 -15.477 -6.116 1.00 0.00 C ATOM 551 CG TYR A 37 0.842 -16.321 -7.098 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.495 -16.190 -7.414 1.00 0.00 C ATOM 553 CD2 TYR A 37 1.551 -17.349 -7.607 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.090 -17.118 -8.257 1.00 0.00 C ATOM 555 CE2 TYR A 37 1.018 -18.258 -8.425 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.315 -18.165 -8.770 1.00 0.00 C ATOM 557 OH TYR A 37 -0.864 -19.109 -9.622 1.00 0.00 O ATOM 0 H TYR A 37 -0.161 -14.856 -4.440 1.00 0.00 H new ATOM 0 HA TYR A 37 1.115 -17.209 -5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.095 -14.472 -6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.578 -15.374 -6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.073 -15.373 -7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.594 -17.440 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.136 -17.034 -8.514 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.626 -19.061 -8.815 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.176 -19.759 -9.877 1.00 0.00 H new ATOM 567 N ILE A 38 2.694 -15.403 -3.159 1.00 0.00 N ATOM 568 CA ILE A 38 3.870 -15.350 -2.388 1.00 0.00 C ATOM 569 C ILE A 38 3.853 -16.356 -1.258 1.00 0.00 C ATOM 570 O ILE A 38 4.889 -16.814 -0.852 1.00 0.00 O ATOM 571 CB ILE A 38 4.111 -13.906 -1.967 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.735 -13.117 -3.134 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.974 -13.796 -0.713 1.00 0.00 C ATOM 574 CD1 ILE A 38 4.108 -13.201 -4.522 1.00 0.00 C ATOM 0 H ILE A 38 2.056 -14.626 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 38 4.731 -15.657 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 38 3.143 -13.473 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.749 -12.066 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.773 -13.437 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.114 -12.745 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.481 -14.307 0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.944 -14.257 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.678 -12.583 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.119 -14.236 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.079 -12.844 -4.479 1.00 0.00 H new ATOM 586 N GLY A 39 2.676 -16.748 -0.799 1.00 0.00 N ATOM 587 CA GLY A 39 2.625 -17.837 0.162 1.00 0.00 C ATOM 588 C GLY A 39 3.283 -19.076 -0.426 1.00 0.00 C ATOM 589 O GLY A 39 4.183 -19.672 0.174 1.00 0.00 O ATOM 0 H GLY A 39 1.776 -16.347 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.133 -17.546 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.590 -18.054 0.425 1.00 0.00 H new ATOM 593 N THR A 40 2.924 -19.348 -1.664 1.00 0.00 N ATOM 594 CA THR A 40 3.403 -20.481 -2.380 1.00 0.00 C ATOM 595 C THR A 40 4.797 -20.187 -2.910 1.00 0.00 C ATOM 596 O THR A 40 5.721 -20.954 -2.729 1.00 0.00 O ATOM 597 CB THR A 40 2.480 -20.760 -3.566 1.00 0.00 C ATOM 598 OG1 THR A 40 1.125 -20.817 -3.114 1.00 0.00 O ATOM 599 CG2 THR A 40 2.858 -22.070 -4.216 1.00 0.00 C ATOM 0 H THR A 40 2.278 -18.768 -2.199 1.00 0.00 H new ATOM 0 HA THR A 40 3.428 -21.344 -1.715 1.00 0.00 H new ATOM 0 HB THR A 40 2.584 -19.959 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.533 -20.994 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.196 -22.262 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.888 -22.018 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.763 -22.877 -3.490 1.00 0.00 H new ATOM 607 N LEU A 41 4.933 -19.073 -3.572 1.00 0.00 N ATOM 608 CA LEU A 41 6.124 -18.592 -4.204 1.00 0.00 C ATOM 609 C LEU A 41 7.290 -18.297 -3.245 1.00 0.00 C ATOM 610 O LEU A 41 8.405 -18.296 -3.674 1.00 0.00 O ATOM 611 CB LEU A 41 5.696 -17.388 -5.014 1.00 0.00 C ATOM 612 CG LEU A 41 5.162 -17.628 -6.420 1.00 0.00 C ATOM 613 CD1 LEU A 41 6.310 -17.831 -7.394 1.00 0.00 C ATOM 614 CD2 LEU A 41 4.242 -18.836 -6.492 1.00 0.00 C ATOM 0 H LEU A 41 4.151 -18.429 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 41 6.550 -19.370 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.926 -16.862 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.551 -16.716 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 41 4.586 -16.743 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.912 -18.001 -8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.942 -16.943 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.900 -18.694 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.888 -18.964 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.787 -19.728 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.390 -18.684 -5.830 1.00 0.00 H new ATOM 626 N THR A 42 7.011 -18.044 -1.977 1.00 0.00 N ATOM 627 CA THR A 42 8.064 -17.940 -0.945 1.00 0.00 C ATOM 628 C THR A 42 8.561 -19.318 -0.570 1.00 0.00 C ATOM 629 O THR A 42 9.761 -19.587 -0.496 1.00 0.00 O ATOM 630 CB THR A 42 7.548 -17.207 0.316 1.00 0.00 C ATOM 631 OG1 THR A 42 7.401 -15.808 0.056 1.00 0.00 O ATOM 632 CG2 THR A 42 8.426 -17.431 1.542 1.00 0.00 C ATOM 0 H THR A 42 6.065 -17.904 -1.623 1.00 0.00 H new ATOM 0 HA THR A 42 8.886 -17.358 -1.363 1.00 0.00 H new ATOM 0 HB THR A 42 6.574 -17.638 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.975 -15.300 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.009 -16.890 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.464 -18.496 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.433 -17.068 1.339 1.00 0.00 H new ATOM 640 N GLU A 43 7.617 -20.195 -0.396 1.00 0.00 N ATOM 641 CA GLU A 43 7.931 -21.598 -0.077 1.00 0.00 C ATOM 642 C GLU A 43 8.453 -22.335 -1.323 1.00 0.00 C ATOM 643 O GLU A 43 8.732 -23.540 -1.303 1.00 0.00 O ATOM 644 CB GLU A 43 6.772 -22.346 0.606 1.00 0.00 C ATOM 645 CG GLU A 43 5.502 -22.467 -0.197 1.00 0.00 C ATOM 646 CD GLU A 43 4.457 -23.289 0.495 1.00 0.00 C ATOM 647 OE1 GLU A 43 4.460 -24.527 0.326 1.00 0.00 O ATOM 648 OE2 GLU A 43 3.618 -22.731 1.225 1.00 0.00 O ATOM 0 H GLU A 43 6.621 -19.987 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 43 8.729 -21.582 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.114 -23.349 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.540 -21.839 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.104 -21.471 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.730 -22.915 -1.164 1.00 0.00 H new ATOM 655 N LEU A 44 8.566 -21.589 -2.405 1.00 0.00 N ATOM 656 CA LEU A 44 9.135 -22.033 -3.635 1.00 0.00 C ATOM 657 C LEU A 44 10.428 -21.267 -3.953 1.00 0.00 C ATOM 658 O LEU A 44 11.367 -21.834 -4.504 1.00 0.00 O ATOM 659 CB LEU A 44 8.102 -21.854 -4.759 1.00 0.00 C ATOM 660 CG LEU A 44 6.976 -22.885 -4.829 1.00 0.00 C ATOM 661 CD1 LEU A 44 6.077 -22.603 -6.016 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.536 -24.297 -4.902 1.00 0.00 C ATOM 0 H LEU A 44 8.247 -20.621 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 44 9.396 -23.088 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.653 -20.867 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.631 -21.863 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 44 6.382 -22.806 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.280 -23.345 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.642 -21.608 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.661 -22.652 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.715 -25.012 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.157 -24.396 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.138 -24.496 -4.015 1.00 0.00 H new ATOM 674 N GLN A 45 10.506 -20.002 -3.531 1.00 0.00 N ATOM 675 CA GLN A 45 11.596 -19.111 -3.910 1.00 0.00 C ATOM 676 C GLN A 45 11.470 -17.771 -3.210 1.00 0.00 C ATOM 677 O GLN A 45 10.633 -17.581 -2.355 1.00 0.00 O ATOM 678 CB GLN A 45 11.596 -18.957 -5.438 1.00 0.00 C ATOM 679 CG GLN A 45 10.421 -18.201 -6.027 1.00 0.00 C ATOM 680 CD GLN A 45 10.358 -18.266 -7.538 1.00 0.00 C ATOM 681 OE1 GLN A 45 9.899 -17.331 -8.188 1.00 0.00 O ATOM 682 NE2 GLN A 45 10.768 -19.369 -8.110 1.00 0.00 N ATOM 0 H GLN A 45 9.814 -19.571 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 45 12.549 -19.538 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.514 -18.449 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.624 -19.951 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.496 -18.604 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.479 -17.157 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.145 -20.128 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.711 -19.470 -9.123 1.00 0.00 H new ATOM 691 N GLY A 46 12.321 -16.854 -3.566 1.00 0.00 N ATOM 692 CA GLY A 46 12.274 -15.537 -2.980 1.00 0.00 C ATOM 693 C GLY A 46 11.293 -14.632 -3.677 1.00 0.00 C ATOM 694 O GLY A 46 11.450 -13.455 -3.631 1.00 0.00 O ATOM 0 H GLY A 46 13.058 -16.989 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.003 -15.620 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.267 -15.090 -3.019 1.00 0.00 H new ATOM 698 N SER A 47 10.334 -15.226 -4.375 1.00 0.00 N ATOM 699 CA SER A 47 9.293 -14.536 -5.089 1.00 0.00 C ATOM 700 C SER A 47 8.622 -13.410 -4.311 1.00 0.00 C ATOM 701 O SER A 47 8.093 -12.540 -4.915 1.00 0.00 O ATOM 702 CB SER A 47 8.306 -15.530 -5.572 1.00 0.00 C ATOM 703 OG SER A 47 7.197 -14.920 -6.211 1.00 0.00 O ATOM 0 H SER A 47 10.266 -16.241 -4.456 1.00 0.00 H new ATOM 0 HA SER A 47 9.766 -14.028 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.793 -16.214 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.954 -16.128 -4.731 1.00 0.00 H new ATOM 0 HG SER A 47 7.370 -14.852 -7.173 1.00 0.00 H new ATOM 709 N GLU A 48 8.413 -13.534 -3.028 1.00 0.00 N ATOM 710 CA GLU A 48 8.104 -12.324 -2.184 1.00 0.00 C ATOM 711 C GLU A 48 8.864 -11.011 -2.694 1.00 0.00 C ATOM 712 O GLU A 48 8.410 -9.890 -2.510 1.00 0.00 O ATOM 713 CB GLU A 48 8.503 -12.643 -0.740 1.00 0.00 C ATOM 714 CG GLU A 48 9.578 -13.718 -0.659 1.00 0.00 C ATOM 715 CD GLU A 48 10.121 -13.937 0.719 1.00 0.00 C ATOM 716 OE1 GLU A 48 9.395 -14.484 1.562 1.00 0.00 O ATOM 717 OE2 GLU A 48 11.290 -13.606 0.963 1.00 0.00 O ATOM 0 H GLU A 48 8.441 -14.418 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 48 7.038 -12.108 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.864 -11.735 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.623 -12.971 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.166 -14.657 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.399 -13.446 -1.323 1.00 0.00 H new ATOM 724 N GLN A 49 10.035 -11.229 -3.282 1.00 0.00 N ATOM 725 CA GLN A 49 10.785 -10.189 -4.021 1.00 0.00 C ATOM 726 C GLN A 49 9.868 -9.519 -5.092 1.00 0.00 C ATOM 727 O GLN A 49 9.778 -8.302 -5.190 1.00 0.00 O ATOM 728 CB GLN A 49 11.966 -10.845 -4.752 1.00 0.00 C ATOM 729 CG GLN A 49 12.831 -9.868 -5.511 1.00 0.00 C ATOM 730 CD GLN A 49 13.680 -10.543 -6.556 1.00 0.00 C ATOM 731 OE1 GLN A 49 14.807 -10.971 -6.301 1.00 0.00 O ATOM 732 NE2 GLN A 49 13.139 -10.662 -7.749 1.00 0.00 N ATOM 0 H GLN A 49 10.504 -12.135 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 49 11.133 -9.439 -3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.583 -11.374 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.582 -11.592 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.197 -9.121 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.476 -9.338 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.203 -10.295 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.655 -11.121 -8.500 1.00 0.00 H new ATOM 741 N LEU A 50 9.206 -10.365 -5.880 1.00 0.00 N ATOM 742 CA LEU A 50 8.226 -10.047 -6.907 1.00 0.00 C ATOM 743 C LEU A 50 7.134 -9.235 -6.289 1.00 0.00 C ATOM 744 O LEU A 50 6.776 -8.172 -6.792 1.00 0.00 O ATOM 745 CB LEU A 50 7.598 -11.361 -7.381 1.00 0.00 C ATOM 746 CG LEU A 50 6.616 -11.328 -8.526 1.00 0.00 C ATOM 747 CD1 LEU A 50 7.320 -11.086 -9.845 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.790 -12.599 -8.550 1.00 0.00 C ATOM 0 H LEU A 50 9.357 -11.371 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 50 8.699 -9.507 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.410 -12.032 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.093 -11.812 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 50 5.934 -10.491 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.586 -11.068 -10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.843 -10.130 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.038 -11.886 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.086 -12.560 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.449 -13.459 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.240 -12.693 -7.614 1.00 0.00 H new ATOM 760 N LEU A 51 6.678 -9.742 -5.146 1.00 0.00 N ATOM 761 CA LEU A 51 5.556 -9.219 -4.374 1.00 0.00 C ATOM 762 C LEU A 51 5.642 -7.727 -4.210 1.00 0.00 C ATOM 763 O LEU A 51 4.674 -7.027 -4.384 1.00 0.00 O ATOM 764 CB LEU A 51 5.569 -9.821 -2.986 1.00 0.00 C ATOM 765 CG LEU A 51 4.397 -9.499 -2.070 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.128 -10.192 -2.519 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.733 -9.858 -0.639 1.00 0.00 C ATOM 0 H LEU A 51 7.100 -10.565 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 51 4.646 -9.476 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.627 -10.904 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.484 -9.499 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 51 4.215 -8.426 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.314 -9.937 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.874 -9.867 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.281 -11.271 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.885 -9.622 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.953 -10.924 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.604 -9.287 -0.316 1.00 0.00 H new ATOM 779 N TYR A 52 6.843 -7.253 -4.078 1.00 0.00 N ATOM 780 CA TYR A 52 7.195 -5.911 -3.753 1.00 0.00 C ATOM 781 C TYR A 52 6.910 -4.955 -4.873 1.00 0.00 C ATOM 782 O TYR A 52 6.183 -4.011 -4.712 1.00 0.00 O ATOM 783 CB TYR A 52 8.670 -5.951 -3.541 1.00 0.00 C ATOM 784 CG TYR A 52 9.307 -4.624 -3.268 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.948 -3.871 -2.171 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.269 -4.124 -4.129 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.534 -2.661 -1.936 1.00 0.00 C ATOM 788 CE2 TYR A 52 10.863 -2.911 -3.899 1.00 0.00 C ATOM 789 CZ TYR A 52 10.494 -2.187 -2.796 1.00 0.00 C ATOM 790 OH TYR A 52 11.051 -0.965 -2.571 1.00 0.00 O ATOM 0 H TYR A 52 7.664 -7.844 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 52 6.623 -5.568 -2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.884 -6.618 -2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.137 -6.386 -4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.196 -4.242 -1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.556 -4.700 -4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.243 -2.077 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.612 -2.531 -4.578 1.00 0.00 H new ATOM 0 HH TYR A 52 10.997 -0.752 -1.616 1.00 0.00 H new ATOM 800 N LEU A 53 7.419 -5.312 -6.027 1.00 0.00 N ATOM 801 CA LEU A 53 7.316 -4.311 -7.087 1.00 0.00 C ATOM 802 C LEU A 53 5.888 -4.197 -7.484 1.00 0.00 C ATOM 803 O LEU A 53 5.346 -3.117 -7.678 1.00 0.00 O ATOM 804 CB LEU A 53 8.137 -4.579 -8.353 1.00 0.00 C ATOM 805 CG LEU A 53 9.509 -5.223 -8.244 1.00 0.00 C ATOM 806 CD1 LEU A 53 9.368 -6.733 -8.171 1.00 0.00 C ATOM 807 CD2 LEU A 53 10.345 -4.825 -9.442 1.00 0.00 C ATOM 0 H LEU A 53 7.870 -6.198 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 53 7.729 -3.398 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.533 -5.211 -9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.266 -3.625 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 53 10.004 -4.880 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.356 -7.187 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.775 -7.001 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.872 -7.096 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.330 -5.285 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.855 -5.162 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.452 -3.741 -9.467 1.00 0.00 H new ATOM 819 N LYS A 54 5.269 -5.323 -7.520 1.00 0.00 N ATOM 820 CA LYS A 54 3.942 -5.372 -7.991 1.00 0.00 C ATOM 821 C LYS A 54 2.863 -5.011 -7.023 1.00 0.00 C ATOM 822 O LYS A 54 1.977 -4.276 -7.388 1.00 0.00 O ATOM 823 CB LYS A 54 3.633 -6.554 -8.858 1.00 0.00 C ATOM 824 CG LYS A 54 4.395 -7.805 -8.498 1.00 0.00 C ATOM 825 CD LYS A 54 5.290 -8.184 -9.645 1.00 0.00 C ATOM 826 CE LYS A 54 6.239 -7.074 -10.035 1.00 0.00 C ATOM 827 NZ LYS A 54 7.142 -7.433 -11.151 1.00 0.00 N ATOM 0 H LYS A 54 5.663 -6.217 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 54 3.920 -4.516 -8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.565 -6.764 -8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.850 -6.296 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.987 -7.639 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.702 -8.617 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.865 -9.070 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.677 -8.452 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.660 -6.194 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.839 -6.798 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.974 -6.808 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.449 -8.421 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.639 -7.322 -12.054 1.00 0.00 H new ATOM 841 N GLU A 55 2.947 -5.447 -5.797 1.00 0.00 N ATOM 842 CA GLU A 55 1.857 -5.025 -4.945 1.00 0.00 C ATOM 843 C GLU A 55 1.962 -3.530 -4.742 1.00 0.00 C ATOM 844 O GLU A 55 0.988 -2.821 -4.823 1.00 0.00 O ATOM 845 CB GLU A 55 1.754 -5.745 -3.597 1.00 0.00 C ATOM 846 CG GLU A 55 2.827 -5.413 -2.584 1.00 0.00 C ATOM 847 CD GLU A 55 2.424 -5.873 -1.204 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.648 -5.137 -0.547 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.847 -6.962 -0.783 1.00 0.00 O ATOM 0 H GLU A 55 3.675 -6.034 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 55 0.938 -5.301 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.784 -5.514 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.774 -6.820 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.764 -5.889 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.005 -4.338 -2.576 1.00 0.00 H new ATOM 856 N ILE A 56 3.169 -3.072 -4.567 1.00 0.00 N ATOM 857 CA ILE A 56 3.286 -1.666 -4.212 1.00 0.00 C ATOM 858 C ILE A 56 3.165 -0.705 -5.387 1.00 0.00 C ATOM 859 O ILE A 56 2.615 0.363 -5.225 1.00 0.00 O ATOM 860 CB ILE A 56 4.496 -1.292 -3.345 1.00 0.00 C ATOM 861 CG1 ILE A 56 5.755 -1.223 -4.191 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.669 -2.290 -2.210 1.00 0.00 C ATOM 863 CD1 ILE A 56 6.987 -0.968 -3.387 1.00 0.00 C ATOM 0 H ILE A 56 4.038 -3.599 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 56 2.406 -1.538 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 56 4.318 -0.308 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.871 -2.160 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.643 -0.434 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.532 -2.008 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.775 -2.291 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.825 -3.287 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.852 -0.930 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.889 -0.017 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.121 -1.770 -2.661 1.00 0.00 H new ATOM 875 N SER A 57 3.633 -1.066 -6.558 1.00 0.00 N ATOM 876 CA SER A 57 3.582 -0.131 -7.667 1.00 0.00 C ATOM 877 C SER A 57 2.324 -0.382 -8.471 1.00 0.00 C ATOM 878 O SER A 57 1.775 0.511 -9.116 1.00 0.00 O ATOM 879 CB SER A 57 4.850 -0.239 -8.538 1.00 0.00 C ATOM 880 OG SER A 57 4.861 0.716 -9.598 1.00 0.00 O ATOM 0 H SER A 57 4.044 -1.975 -6.770 1.00 0.00 H new ATOM 0 HA SER A 57 3.551 0.889 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.731 -0.095 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.917 -1.243 -8.956 1.00 0.00 H new ATOM 0 HG SER A 57 5.682 0.613 -10.123 1.00 0.00 H new ATOM 886 N HIS A 58 1.888 -1.601 -8.459 1.00 0.00 N ATOM 887 CA HIS A 58 0.710 -1.969 -9.153 1.00 0.00 C ATOM 888 C HIS A 58 -0.539 -1.781 -8.300 1.00 0.00 C ATOM 889 O HIS A 58 -1.312 -0.873 -8.593 1.00 0.00 O ATOM 890 CB HIS A 58 0.926 -3.318 -9.878 1.00 0.00 C ATOM 891 CG HIS A 58 -0.189 -4.308 -9.936 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.461 -5.089 -8.850 1.00 0.00 N ATOM 893 CD2 HIS A 58 -0.918 -4.735 -10.985 1.00 0.00 C ATOM 894 CE1 HIS A 58 -1.317 -5.977 -9.251 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.634 -5.818 -10.541 1.00 0.00 N ATOM 0 H HIS A 58 2.345 -2.367 -7.964 1.00 0.00 H new ATOM 0 HA HIS A 58 0.496 -1.281 -9.971 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.218 -3.094 -10.904 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.776 -3.810 -9.405 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -0.070 -4.994 -7.913 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.935 -4.310 -11.978 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.725 -6.752 -8.619 1.00 0.00 H new ATOM 903 N ALA A 59 -0.744 -2.460 -7.181 1.00 0.00 N ATOM 904 CA ALA A 59 -1.965 -2.435 -6.393 1.00 0.00 C ATOM 905 C ALA A 59 -2.002 -1.249 -5.484 1.00 0.00 C ATOM 906 O ALA A 59 -2.924 -0.427 -5.550 1.00 0.00 O ATOM 907 CB ALA A 59 -2.000 -3.683 -5.543 1.00 0.00 C ATOM 0 H ALA A 59 -0.031 -3.070 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.818 -2.381 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.909 -3.688 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.987 -4.562 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.130 -3.701 -4.887 1.00 0.00 H new ATOM 913 N LEU A 60 -0.992 -1.147 -4.642 1.00 0.00 N ATOM 914 CA LEU A 60 -0.884 -0.141 -3.638 1.00 0.00 C ATOM 915 C LEU A 60 -0.818 1.207 -4.287 1.00 0.00 C ATOM 916 O LEU A 60 -1.636 2.027 -4.015 1.00 0.00 O ATOM 917 CB LEU A 60 0.341 -0.432 -2.787 1.00 0.00 C ATOM 918 CG LEU A 60 0.273 0.006 -1.341 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.884 -0.724 -0.648 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.592 -0.302 -0.628 1.00 0.00 C ATOM 0 H LEU A 60 -0.202 -1.793 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.758 -0.144 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.526 -1.506 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.202 0.050 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 60 0.104 1.082 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.938 -0.412 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.821 -0.479 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.717 -1.800 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.527 0.019 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.784 -1.374 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.405 0.230 -1.122 1.00 0.00 H new ATOM 932 N LYS A 61 0.089 1.369 -5.220 1.00 0.00 N ATOM 933 CA LYS A 61 0.206 2.644 -5.928 1.00 0.00 C ATOM 934 C LYS A 61 -1.098 3.030 -6.640 1.00 0.00 C ATOM 935 O LYS A 61 -1.384 4.216 -6.801 1.00 0.00 O ATOM 936 CB LYS A 61 1.406 2.642 -6.888 1.00 0.00 C ATOM 937 CG LYS A 61 1.622 3.922 -7.700 1.00 0.00 C ATOM 938 CD LYS A 61 1.477 3.689 -9.210 1.00 0.00 C ATOM 939 CE LYS A 61 0.065 3.260 -9.576 1.00 0.00 C ATOM 940 NZ LYS A 61 -0.098 2.968 -11.014 1.00 0.00 N ATOM 0 H LYS A 61 0.753 0.652 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 61 0.390 3.414 -5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.308 2.447 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.288 1.811 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.903 4.677 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.615 4.319 -7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.731 4.604 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.185 2.925 -9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.200 2.374 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.633 4.047 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.080 2.681 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.126 3.819 -11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.545 2.198 -11.287 1.00 0.00 H new ATOM 954 N SER A 62 -1.955 2.065 -6.961 1.00 0.00 N ATOM 955 CA SER A 62 -3.180 2.370 -7.649 1.00 0.00 C ATOM 956 C SER A 62 -4.298 2.738 -6.679 1.00 0.00 C ATOM 957 O SER A 62 -4.983 3.755 -6.836 1.00 0.00 O ATOM 958 CB SER A 62 -3.556 1.216 -8.576 1.00 0.00 C ATOM 959 OG SER A 62 -2.617 1.111 -9.638 1.00 0.00 O ATOM 0 H SER A 62 -1.815 1.076 -6.753 1.00 0.00 H new ATOM 0 HA SER A 62 -3.025 3.254 -8.267 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.585 0.283 -8.013 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.556 1.376 -8.980 1.00 0.00 H new ATOM 0 HG SER A 62 -2.037 0.335 -9.487 1.00 0.00 H new ATOM 965 N SER A 63 -4.402 1.993 -5.616 1.00 0.00 N ATOM 966 CA SER A 63 -5.429 2.122 -4.661 1.00 0.00 C ATOM 967 C SER A 63 -5.061 3.246 -3.712 1.00 0.00 C ATOM 968 O SER A 63 -5.910 3.954 -3.237 1.00 0.00 O ATOM 969 CB SER A 63 -5.536 0.775 -3.945 1.00 0.00 C ATOM 970 OG SER A 63 -5.846 -0.253 -4.864 1.00 0.00 O ATOM 0 H SER A 63 -3.737 1.251 -5.395 1.00 0.00 H new ATOM 0 HA SER A 63 -6.393 2.369 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.596 0.549 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.306 0.826 -3.175 1.00 0.00 H new ATOM 0 HG SER A 63 -5.032 -0.525 -5.337 1.00 0.00 H new ATOM 976 N ALA A 64 -3.770 3.387 -3.446 1.00 0.00 N ATOM 977 CA ALA A 64 -3.289 4.480 -2.612 1.00 0.00 C ATOM 978 C ALA A 64 -3.573 5.789 -3.293 1.00 0.00 C ATOM 979 O ALA A 64 -3.912 6.737 -2.663 1.00 0.00 O ATOM 980 CB ALA A 64 -1.811 4.380 -2.297 1.00 0.00 C ATOM 0 H ALA A 64 -3.041 2.763 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.820 4.416 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.514 5.223 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.614 3.448 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.239 4.397 -3.225 1.00 0.00 H new ATOM 986 N ALA A 65 -3.492 5.825 -4.595 1.00 0.00 N ATOM 987 CA ALA A 65 -3.818 7.035 -5.333 1.00 0.00 C ATOM 988 C ALA A 65 -5.282 7.390 -5.070 1.00 0.00 C ATOM 989 O ALA A 65 -5.671 8.553 -5.075 1.00 0.00 O ATOM 990 CB ALA A 65 -3.565 6.837 -6.819 1.00 0.00 C ATOM 0 H ALA A 65 -3.204 5.037 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.182 7.854 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.814 7.752 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.514 6.597 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.185 6.020 -7.188 1.00 0.00 H new ATOM 996 N SER A 66 -6.086 6.369 -4.819 1.00 0.00 N ATOM 997 CA SER A 66 -7.451 6.567 -4.419 1.00 0.00 C ATOM 998 C SER A 66 -7.611 6.772 -2.893 1.00 0.00 C ATOM 999 O SER A 66 -8.469 7.544 -2.484 1.00 0.00 O ATOM 1000 CB SER A 66 -8.315 5.394 -4.873 1.00 0.00 C ATOM 1001 OG SER A 66 -8.228 5.208 -6.276 1.00 0.00 O ATOM 0 H SER A 66 -5.804 5.391 -4.889 1.00 0.00 H new ATOM 0 HA SER A 66 -7.784 7.484 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.997 4.485 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.353 5.572 -4.590 1.00 0.00 H new ATOM 0 HG SER A 66 -8.789 4.450 -6.541 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.839 6.092 -2.022 1.00 0.00 N ATOM 1008 CA PHE A 67 -7.105 6.238 -0.554 1.00 0.00 C ATOM 1009 C PHE A 67 -5.945 6.777 0.301 1.00 0.00 C ATOM 1010 O PHE A 67 -6.002 6.768 1.528 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.606 4.909 0.039 1.00 0.00 C ATOM 1012 CG PHE A 67 -6.690 3.706 -0.109 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -5.347 3.758 0.226 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.193 2.519 -0.591 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -4.534 2.656 0.073 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -6.390 1.413 -0.748 1.00 0.00 C ATOM 1017 CZ PHE A 67 -5.060 1.478 -0.417 1.00 0.00 C ATOM 0 H PHE A 67 -6.070 5.471 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.872 7.011 -0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.798 5.062 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.562 4.668 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.931 4.676 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.239 2.455 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.488 2.714 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.807 0.493 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.428 0.611 -0.539 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.938 7.247 -0.333 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.728 7.662 0.346 1.00 0.00 C ATOM 1029 C GLY A 68 -2.796 8.330 -0.616 1.00 0.00 C ATOM 1030 O GLY A 68 -1.593 8.068 -0.639 1.00 0.00 O ATOM 0 H GLY A 68 -4.910 7.363 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.975 8.346 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.240 6.797 0.795 1.00 0.00 H new ATOM 1034 N ALA A 69 -3.406 9.217 -1.383 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.661 9.977 -2.419 1.00 0.00 C ATOM 1036 C ALA A 69 -1.819 11.078 -1.767 1.00 0.00 C ATOM 1037 O ALA A 69 -1.549 12.136 -2.341 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.613 10.574 -3.427 1.00 0.00 C ATOM 0 H ALA A 69 -4.400 9.439 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.995 9.288 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.048 11.127 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.177 9.777 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.302 11.250 -2.921 1.00 0.00 H new ATOM 1044 N ASP A 70 -1.387 10.755 -0.590 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.691 11.553 0.331 1.00 0.00 C ATOM 1046 C ASP A 70 0.635 10.794 0.459 1.00 0.00 C ATOM 1047 O ASP A 70 1.110 10.217 -0.550 1.00 0.00 O ATOM 1048 CB ASP A 70 -1.544 11.542 1.606 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.956 12.271 2.778 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -0.923 13.515 2.787 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -0.471 11.590 3.678 1.00 0.00 O ATOM 0 H ASP A 70 -1.538 9.815 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.508 12.598 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.515 11.980 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.722 10.506 1.895 1.00 0.00 H new ATOM 1056 N ARG A 71 1.211 10.657 1.620 1.00 0.00 N ATOM 1057 CA ARG A 71 2.494 10.086 1.888 1.00 0.00 C ATOM 1058 C ARG A 71 2.685 8.664 1.460 1.00 0.00 C ATOM 1059 O ARG A 71 3.644 8.368 0.791 1.00 0.00 O ATOM 1060 CB ARG A 71 2.742 10.129 3.367 1.00 0.00 C ATOM 1061 CG ARG A 71 3.245 11.433 3.923 1.00 0.00 C ATOM 1062 CD ARG A 71 2.228 12.551 3.894 1.00 0.00 C ATOM 1063 NE ARG A 71 2.705 13.761 4.559 1.00 0.00 N ATOM 1064 CZ ARG A 71 1.939 14.800 4.904 1.00 0.00 C ATOM 1065 NH1 ARG A 71 0.648 14.830 4.574 1.00 0.00 N ATOM 1066 NH2 ARG A 71 2.477 15.821 5.567 1.00 0.00 N ATOM 0 H ARG A 71 0.752 10.971 2.475 1.00 0.00 H new ATOM 0 HA ARG A 71 3.188 10.685 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.812 9.876 3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.464 9.351 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.567 11.276 4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.124 11.742 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.979 12.784 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.310 12.214 4.375 1.00 0.00 H new ATOM 0 HE ARG A 71 3.700 13.817 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.237 14.055 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.072 15.628 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.468 15.807 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.898 16.618 5.834 1.00 0.00 H new ATOM 1080 N LEU A 72 1.804 7.774 1.840 1.00 0.00 N ATOM 1081 CA LEU A 72 2.084 6.359 1.614 1.00 0.00 C ATOM 1082 C LEU A 72 2.254 6.085 0.112 1.00 0.00 C ATOM 1083 O LEU A 72 3.017 5.235 -0.294 1.00 0.00 O ATOM 1084 CB LEU A 72 0.998 5.485 2.253 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.267 5.241 1.448 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.181 3.890 0.756 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.484 5.337 2.331 1.00 0.00 C ATOM 0 H LEU A 72 0.914 7.981 2.293 1.00 0.00 H new ATOM 0 HA LEU A 72 3.024 6.096 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.440 4.517 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.712 5.942 3.200 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.361 6.011 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.090 3.718 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.680 3.878 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.072 3.105 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.380 5.159 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.419 4.590 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.534 6.331 2.774 1.00 0.00 H new ATOM 1099 N CYS A 73 1.666 6.960 -0.666 1.00 0.00 N ATOM 1100 CA CYS A 73 1.670 6.716 -2.089 1.00 0.00 C ATOM 1101 C CYS A 73 3.058 6.966 -2.677 1.00 0.00 C ATOM 1102 O CYS A 73 3.692 6.052 -3.231 1.00 0.00 O ATOM 1103 CB CYS A 73 0.558 7.487 -2.819 1.00 0.00 C ATOM 1104 SG CYS A 73 0.491 7.253 -4.614 1.00 0.00 S ATOM 0 H CYS A 73 1.197 7.812 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 73 1.440 5.663 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.402 7.191 -2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 73 0.683 8.550 -2.614 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.488 7.953 -5.107 1.00 0.00 H new ATOM 1110 N GLU A 74 3.609 8.127 -2.432 1.00 0.00 N ATOM 1111 CA GLU A 74 4.866 8.450 -3.102 1.00 0.00 C ATOM 1112 C GLU A 74 5.986 8.614 -2.112 1.00 0.00 C ATOM 1113 O GLU A 74 7.161 8.355 -2.407 1.00 0.00 O ATOM 1114 CB GLU A 74 4.678 9.686 -3.975 1.00 0.00 C ATOM 1115 CG GLU A 74 5.897 10.129 -4.766 1.00 0.00 C ATOM 1116 CD GLU A 74 6.410 9.098 -5.754 1.00 0.00 C ATOM 1117 OE1 GLU A 74 5.600 8.368 -6.377 1.00 0.00 O ATOM 1118 OE2 GLU A 74 7.633 9.055 -5.989 1.00 0.00 O ATOM 0 H GLU A 74 3.238 8.842 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 74 5.150 7.620 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.865 9.493 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.361 10.512 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.652 11.043 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.697 10.376 -4.069 1.00 0.00 H new ATOM 1125 N ARG A 75 5.622 8.990 -0.933 1.00 0.00 N ATOM 1126 CA ARG A 75 6.560 9.158 0.120 1.00 0.00 C ATOM 1127 C ARG A 75 6.932 7.763 0.601 1.00 0.00 C ATOM 1128 O ARG A 75 8.008 7.558 1.105 1.00 0.00 O ATOM 1129 CB ARG A 75 5.923 10.042 1.205 1.00 0.00 C ATOM 1130 CG ARG A 75 6.562 10.109 2.584 1.00 0.00 C ATOM 1131 CD ARG A 75 6.327 8.840 3.415 1.00 0.00 C ATOM 1132 NE ARG A 75 6.823 9.003 4.791 1.00 0.00 N ATOM 1133 CZ ARG A 75 6.147 8.714 5.921 1.00 0.00 C ATOM 1134 NH1 ARG A 75 4.945 8.140 5.881 1.00 0.00 N ATOM 1135 NH2 ARG A 75 6.689 8.989 7.097 1.00 0.00 N ATOM 0 H ARG A 75 4.656 9.191 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 75 7.474 9.665 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.880 11.059 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.894 9.707 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.634 10.272 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.163 10.969 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.262 8.608 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.829 7.995 2.943 1.00 0.00 H new ATOM 0 HE ARG A 75 7.769 9.370 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.519 7.911 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.451 7.930 6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.613 9.417 7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.182 8.773 7.955 1.00 0.00 H new ATOM 1149 N ALA A 76 6.080 6.763 0.397 1.00 0.00 N ATOM 1150 CA ALA A 76 6.501 5.477 0.824 1.00 0.00 C ATOM 1151 C ALA A 76 7.249 4.867 -0.297 1.00 0.00 C ATOM 1152 O ALA A 76 8.380 4.582 -0.143 1.00 0.00 O ATOM 1153 CB ALA A 76 5.371 4.601 1.313 1.00 0.00 C ATOM 0 H ALA A 76 5.158 6.827 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 76 7.143 5.579 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.768 3.634 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.880 5.080 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.649 4.456 0.509 1.00 0.00 H new ATOM 1159 N ILE A 77 6.633 4.870 -1.462 1.00 0.00 N ATOM 1160 CA ILE A 77 7.270 4.153 -2.584 1.00 0.00 C ATOM 1161 C ILE A 77 8.741 4.507 -2.885 1.00 0.00 C ATOM 1162 O ILE A 77 9.599 3.628 -2.954 1.00 0.00 O ATOM 1163 CB ILE A 77 6.355 3.963 -3.825 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.334 2.831 -3.567 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.176 3.567 -5.057 1.00 0.00 C ATOM 1166 CD1 ILE A 77 4.704 2.824 -2.196 1.00 0.00 C ATOM 0 H ILE A 77 5.744 5.327 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 77 7.384 3.145 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 77 5.848 4.911 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.541 2.904 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.832 1.874 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.512 3.440 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.904 4.348 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.698 2.630 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.005 1.991 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.481 2.715 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.170 3.761 -2.036 1.00 0.00 H new ATOM 1178 N ALA A 78 9.092 5.753 -2.765 1.00 0.00 N ATOM 1179 CA ALA A 78 10.427 6.171 -3.141 1.00 0.00 C ATOM 1180 C ALA A 78 11.304 6.018 -1.915 1.00 0.00 C ATOM 1181 O ALA A 78 12.453 5.505 -1.964 1.00 0.00 O ATOM 1182 CB ALA A 78 10.424 7.611 -3.624 1.00 0.00 C ATOM 0 H ALA A 78 8.487 6.496 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 78 10.804 5.560 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.437 7.904 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.770 7.703 -4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.063 8.261 -2.827 1.00 0.00 H new ATOM 1188 N ILE A 79 10.672 6.302 -0.785 1.00 0.00 N ATOM 1189 CA ILE A 79 11.343 6.399 0.465 1.00 0.00 C ATOM 1190 C ILE A 79 11.249 5.086 1.210 1.00 0.00 C ATOM 1191 O ILE A 79 11.813 4.937 2.299 1.00 0.00 O ATOM 1192 CB ILE A 79 10.763 7.572 1.258 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.737 8.785 0.328 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.532 7.884 2.550 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.082 9.416 0.037 1.00 0.00 C ATOM 0 H ILE A 79 9.667 6.470 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 79 12.404 6.596 0.312 1.00 0.00 H new ATOM 0 HB ILE A 79 9.760 7.305 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.284 8.486 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.088 9.543 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.063 8.727 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.515 7.011 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.564 8.136 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.948 10.266 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.534 9.755 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.734 8.682 -0.436 1.00 0.00 H new ATOM 1207 N ASP A 80 10.865 4.047 0.481 1.00 0.00 N ATOM 1208 CA ASP A 80 10.730 2.716 0.976 1.00 0.00 C ATOM 1209 C ASP A 80 11.864 1.988 0.598 1.00 0.00 C ATOM 1210 O ASP A 80 12.574 1.536 1.454 1.00 0.00 O ATOM 1211 CB ASP A 80 9.402 1.967 0.585 1.00 0.00 C ATOM 1212 CG ASP A 80 9.532 0.911 -0.522 1.00 0.00 C ATOM 1213 OD1 ASP A 80 9.476 1.264 -1.724 1.00 0.00 O ATOM 1214 OD2 ASP A 80 9.778 -0.258 -0.207 1.00 0.00 O ATOM 0 H ASP A 80 10.634 4.129 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 80 10.653 2.795 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.003 1.484 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.668 2.709 0.269 1.00 0.00 H new ATOM 1219 N LYS A 81 12.094 1.966 -0.689 1.00 0.00 N ATOM 1220 CA LYS A 81 13.163 1.208 -1.176 1.00 0.00 C ATOM 1221 C LYS A 81 14.410 1.675 -0.488 1.00 0.00 C ATOM 1222 O LYS A 81 14.993 0.896 0.306 1.00 0.00 O ATOM 1223 CB LYS A 81 13.164 1.228 -2.697 1.00 0.00 C ATOM 1224 CG LYS A 81 13.268 2.583 -3.355 1.00 0.00 C ATOM 1225 CD LYS A 81 12.787 2.517 -4.791 1.00 0.00 C ATOM 1226 CE LYS A 81 11.260 2.461 -4.905 1.00 0.00 C ATOM 1227 NZ LYS A 81 10.575 1.304 -4.221 1.00 0.00 N ATOM 0 H LYS A 81 11.550 2.465 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 81 13.080 0.147 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.996 0.615 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.248 0.750 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.674 3.309 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.301 2.928 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.155 3.388 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.215 1.638 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.854 3.387 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.998 2.436 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.656 1.128 -4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.168 0.454 -4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.428 1.532 -3.217 1.00 0.00 H new ATOM 1241 N LYS A 82 14.752 2.965 -0.689 1.00 0.00 N ATOM 1242 CA LYS A 82 15.890 3.524 0.010 1.00 0.00 C ATOM 1243 C LYS A 82 16.086 3.169 1.499 1.00 0.00 C ATOM 1244 O LYS A 82 17.110 2.570 1.855 1.00 0.00 O ATOM 1245 CB LYS A 82 16.170 4.976 -0.385 1.00 0.00 C ATOM 1246 CG LYS A 82 15.028 5.965 -0.244 1.00 0.00 C ATOM 1247 CD LYS A 82 14.675 6.290 1.189 1.00 0.00 C ATOM 1248 CE LYS A 82 15.861 6.807 1.990 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.485 8.014 1.394 1.00 0.00 N ATOM 0 H LYS A 82 14.264 3.608 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 82 16.724 2.942 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.004 5.335 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.499 4.986 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.293 6.887 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.147 5.562 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.881 7.037 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.279 5.396 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.534 7.038 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.610 6.019 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.242 8.358 2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.885 7.775 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.766 8.757 1.281 1.00 0.00 H new ATOM 1263 N ALA A 83 15.095 3.250 2.349 1.00 0.00 N ATOM 1264 CA ALA A 83 15.367 3.079 3.737 1.00 0.00 C ATOM 1265 C ALA A 83 14.296 2.301 4.362 1.00 0.00 C ATOM 1266 O ALA A 83 14.553 1.596 5.253 1.00 0.00 O ATOM 1267 CB ALA A 83 15.527 4.412 4.456 1.00 0.00 C ATOM 0 H ALA A 83 14.121 3.429 2.106 1.00 0.00 H new ATOM 0 HA ALA A 83 16.312 2.543 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.733 4.234 5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.354 4.967 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.608 4.991 4.358 1.00 0.00 H new ATOM 1273 N LYS A 84 13.076 2.564 4.000 1.00 0.00 N ATOM 1274 CA LYS A 84 12.072 1.675 4.593 1.00 0.00 C ATOM 1275 C LYS A 84 12.427 0.211 4.395 1.00 0.00 C ATOM 1276 O LYS A 84 12.228 -0.540 5.287 1.00 0.00 O ATOM 1277 CB LYS A 84 10.656 1.950 4.175 1.00 0.00 C ATOM 1278 CG LYS A 84 10.356 3.419 4.220 1.00 0.00 C ATOM 1279 CD LYS A 84 10.584 4.023 5.586 1.00 0.00 C ATOM 1280 CE LYS A 84 9.642 3.448 6.604 1.00 0.00 C ATOM 1281 NZ LYS A 84 9.922 3.963 7.966 1.00 0.00 N ATOM 0 H LYS A 84 12.754 3.298 3.369 1.00 0.00 H new ATOM 0 HA LYS A 84 12.104 1.903 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.492 1.573 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.969 1.415 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.981 3.935 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.320 3.583 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.613 3.843 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.451 5.104 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.616 3.690 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.724 2.361 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.251 3.543 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.893 3.710 8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.819 4.998 7.974 1.00 0.00 H new ATOM 1295 N ALA A 85 13.022 -0.186 3.281 1.00 0.00 N ATOM 1296 CA ALA A 85 13.454 -1.515 3.138 1.00 0.00 C ATOM 1297 C ALA A 85 14.882 -1.659 3.614 1.00 0.00 C ATOM 1298 O ALA A 85 15.199 -2.675 4.223 1.00 0.00 O ATOM 1299 CB ALA A 85 13.359 -1.926 1.688 1.00 0.00 C ATOM 0 H ALA A 85 13.204 0.415 2.477 1.00 0.00 H new ATOM 0 HA ALA A 85 12.815 -2.159 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.695 -2.957 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.325 -1.844 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.989 -1.274 1.083 1.00 0.00 H new ATOM 1305 N ASN A 86 15.771 -0.649 3.429 1.00 0.00 N ATOM 1306 CA ASN A 86 17.117 -0.861 3.966 1.00 0.00 C ATOM 1307 C ASN A 86 17.272 -0.698 5.472 1.00 0.00 C ATOM 1308 O ASN A 86 18.227 -1.201 6.048 1.00 0.00 O ATOM 1309 CB ASN A 86 18.181 -0.068 3.214 1.00 0.00 C ATOM 1310 CG ASN A 86 18.662 -0.728 1.926 1.00 0.00 C ATOM 1311 OD1 ASN A 86 18.653 -2.053 1.872 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 19.058 -0.047 0.979 1.00 0.00 N flip ATOM 0 H ASN A 86 15.596 0.238 2.956 1.00 0.00 H new ATOM 0 HA ASN A 86 17.282 -1.924 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.782 0.918 2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.037 0.084 3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.055 0.971 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.389 -0.501 0.128 1.00 0.00 H new ATOM 1319 N GLN A 87 16.376 0.000 6.110 1.00 0.00 N ATOM 1320 CA GLN A 87 16.458 0.235 7.533 1.00 0.00 C ATOM 1321 C GLN A 87 15.701 -0.803 8.309 1.00 0.00 C ATOM 1322 O GLN A 87 16.119 -1.162 9.408 1.00 0.00 O ATOM 1323 CB GLN A 87 15.986 1.671 7.917 1.00 0.00 C ATOM 1324 CG GLN A 87 14.482 1.904 8.155 1.00 0.00 C ATOM 1325 CD GLN A 87 13.987 1.476 9.529 1.00 0.00 C ATOM 1326 OE1 GLN A 87 14.716 1.528 10.517 1.00 0.00 O ATOM 1327 NE2 GLN A 87 12.760 1.025 9.595 1.00 0.00 N ATOM 0 H GLN A 87 15.564 0.425 5.662 1.00 0.00 H new ATOM 0 HA GLN A 87 17.511 0.154 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.516 1.964 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.307 2.349 7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.265 2.963 8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.919 1.363 7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.182 0.996 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.382 0.703 10.486 1.00 0.00 H new ATOM 1336 N LEU A 88 14.610 -1.338 7.771 1.00 0.00 N ATOM 1337 CA LEU A 88 13.700 -2.256 8.376 1.00 0.00 C ATOM 1338 C LEU A 88 14.241 -3.661 8.518 1.00 0.00 C ATOM 1339 O LEU A 88 14.334 -4.153 9.631 1.00 0.00 O ATOM 1340 CB LEU A 88 12.486 -2.177 7.473 1.00 0.00 C ATOM 1341 CG LEU A 88 11.344 -3.114 7.589 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.987 -3.339 9.045 1.00 0.00 C ATOM 1343 CD2 LEU A 88 10.173 -2.468 6.885 1.00 0.00 C ATOM 0 H LEU A 88 14.332 -1.109 6.817 1.00 0.00 H new ATOM 0 HA LEU A 88 13.483 -1.995 9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.078 -1.173 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.853 -2.258 6.450 1.00 0.00 H new ATOM 0 HG LEU A 88 11.597 -4.078 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.146 -4.030 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.845 -3.760 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.713 -2.389 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.305 -3.125 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.941 -1.516 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.427 -2.297 5.839 1.00 0.00 H new ATOM 1355 N GLN A 89 14.490 -4.302 7.383 1.00 0.00 N ATOM 1356 CA GLN A 89 14.993 -5.631 7.141 1.00 0.00 C ATOM 1357 C GLN A 89 15.725 -6.302 8.251 1.00 0.00 C ATOM 1358 O GLN A 89 16.378 -5.679 9.096 1.00 0.00 O ATOM 1359 CB GLN A 89 15.879 -5.592 5.907 1.00 0.00 C ATOM 1360 CG GLN A 89 16.957 -4.489 5.867 1.00 0.00 C ATOM 1361 CD GLN A 89 18.101 -4.650 6.859 1.00 0.00 C ATOM 1362 OE1 GLN A 89 18.468 -5.754 7.223 1.00 0.00 O ATOM 1363 NE2 GLN A 89 18.690 -3.563 7.274 1.00 0.00 N ATOM 0 H GLN A 89 14.317 -3.828 6.497 1.00 0.00 H new ATOM 0 HA GLN A 89 14.100 -6.243 7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.376 -6.558 5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.240 -5.476 5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.375 -4.451 4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.475 -3.528 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.363 -2.652 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.478 -3.624 7.919 1.00 0.00 H new ATOM 1372 N GLU A 90 15.711 -7.599 8.214 1.00 0.00 N ATOM 1373 CA GLU A 90 16.443 -8.295 9.187 1.00 0.00 C ATOM 1374 C GLU A 90 17.734 -8.745 8.488 1.00 0.00 C ATOM 1375 O GLU A 90 18.842 -8.623 8.999 1.00 0.00 O ATOM 1376 CB GLU A 90 15.659 -9.503 9.696 1.00 0.00 C ATOM 1377 CG GLU A 90 14.297 -9.191 10.319 1.00 0.00 C ATOM 1378 CD GLU A 90 14.396 -8.475 11.643 1.00 0.00 C ATOM 1379 OE1 GLU A 90 14.815 -9.107 12.627 1.00 0.00 O ATOM 1380 OE2 GLU A 90 14.052 -7.275 11.730 1.00 0.00 O ATOM 0 H GLU A 90 15.210 -8.171 7.534 1.00 0.00 H new ATOM 0 HA GLU A 90 16.650 -7.669 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.509 -10.193 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.267 -10.023 10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.720 -8.580 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.747 -10.122 10.457 1.00 0.00 H new ATOM 1387 N GLN A 91 17.528 -9.267 7.268 1.00 0.00 N ATOM 1388 CA GLN A 91 18.588 -9.832 6.432 1.00 0.00 C ATOM 1389 C GLN A 91 19.151 -8.927 5.317 1.00 0.00 C ATOM 1390 O GLN A 91 19.853 -9.415 4.436 1.00 0.00 O ATOM 1391 CB GLN A 91 18.038 -11.116 5.823 1.00 0.00 C ATOM 1392 CG GLN A 91 17.686 -12.173 6.857 1.00 0.00 C ATOM 1393 CD GLN A 91 17.020 -13.383 6.249 1.00 0.00 C ATOM 1394 OE1 GLN A 91 17.684 -14.312 5.808 1.00 0.00 O ATOM 1395 NE2 GLN A 91 15.704 -13.418 6.283 1.00 0.00 N ATOM 0 H GLN A 91 16.606 -9.307 6.833 1.00 0.00 H new ATOM 0 HA GLN A 91 19.445 -9.987 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.149 -10.880 5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.774 -11.526 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.593 -12.485 7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 91 17.025 -11.737 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.182 -12.626 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 91 15.206 -14.238 5.935 1.00 0.00 H new ATOM 1404 N GLY A 92 18.897 -7.639 5.357 1.00 0.00 N ATOM 1405 CA GLY A 92 19.460 -6.756 4.342 1.00 0.00 C ATOM 1406 C GLY A 92 18.611 -6.604 3.108 1.00 0.00 C ATOM 1407 O GLY A 92 19.127 -6.637 1.998 1.00 0.00 O ATOM 0 H GLY A 92 18.319 -7.180 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.619 -5.772 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.439 -7.136 4.050 1.00 0.00 H new ATOM 1411 N MET A 93 17.320 -6.383 3.315 1.00 0.00 N ATOM 1412 CA MET A 93 16.328 -6.140 2.280 1.00 0.00 C ATOM 1413 C MET A 93 16.260 -7.246 1.267 1.00 0.00 C ATOM 1414 O MET A 93 16.879 -7.200 0.193 1.00 0.00 O ATOM 1415 CB MET A 93 16.441 -4.758 1.652 1.00 0.00 C ATOM 1416 CG MET A 93 15.544 -4.527 0.435 1.00 0.00 C ATOM 1417 SD MET A 93 15.912 -2.998 -0.461 1.00 0.00 S ATOM 1418 CE MET A 93 17.540 -3.365 -1.121 1.00 0.00 C ATOM 0 H MET A 93 16.919 -6.368 4.253 1.00 0.00 H new ATOM 0 HA MET A 93 15.364 -6.146 2.789 1.00 0.00 H new ATOM 0 HB2 MET A 93 16.201 -4.011 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 93 17.477 -4.593 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.647 -5.371 -0.247 1.00 0.00 H new ATOM 0 HG3 MET A 93 14.504 -4.506 0.760 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.585 -3.062 -2.167 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.294 -2.821 -0.552 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.731 -4.436 -1.045 1.00 0.00 H new ATOM 1428 N GLU A 94 15.542 -8.270 1.623 1.00 0.00 N ATOM 1429 CA GLU A 94 15.414 -9.386 0.747 1.00 0.00 C ATOM 1430 C GLU A 94 14.226 -10.240 1.129 1.00 0.00 C ATOM 1431 O GLU A 94 14.066 -11.319 0.567 1.00 0.00 O ATOM 1432 CB GLU A 94 16.699 -10.224 0.764 1.00 0.00 C ATOM 1433 CG GLU A 94 16.930 -11.014 2.043 1.00 0.00 C ATOM 1434 CD GLU A 94 18.001 -12.059 1.868 1.00 0.00 C ATOM 1435 OE1 GLU A 94 17.820 -12.981 1.038 1.00 0.00 O ATOM 1436 OE2 GLU A 94 19.038 -12.002 2.550 1.00 0.00 O ATOM 0 H GLU A 94 15.041 -8.352 2.508 1.00 0.00 H new ATOM 0 HA GLU A 94 15.251 -9.010 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.674 -10.919 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.550 -9.562 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.214 -10.333 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.000 -11.494 2.347 1.00 0.00 H new ATOM 1443 N THR A 95 13.338 -9.707 1.989 1.00 0.00 N ATOM 1444 CA THR A 95 12.252 -10.526 2.524 1.00 0.00 C ATOM 1445 C THR A 95 11.437 -9.847 3.653 1.00 0.00 C ATOM 1446 O THR A 95 10.231 -9.661 3.518 1.00 0.00 O ATOM 1447 CB THR A 95 12.779 -11.917 3.000 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.712 -12.769 3.411 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.836 -11.821 4.106 1.00 0.00 C ATOM 0 H THR A 95 13.354 -8.741 2.316 1.00 0.00 H new ATOM 0 HA THR A 95 11.561 -10.661 1.692 1.00 0.00 H new ATOM 0 HB THR A 95 13.268 -12.356 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.506 -13.404 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.158 -12.823 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.693 -11.253 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.410 -11.318 4.974 1.00 0.00 H new ATOM 1457 N SER A 96 12.092 -9.429 4.733 1.00 0.00 N ATOM 1458 CA SER A 96 11.406 -9.051 5.959 1.00 0.00 C ATOM 1459 C SER A 96 10.542 -7.822 5.783 1.00 0.00 C ATOM 1460 O SER A 96 9.479 -7.690 6.374 1.00 0.00 O ATOM 1461 CB SER A 96 12.468 -8.785 7.008 1.00 0.00 C ATOM 1462 OG SER A 96 13.522 -9.749 6.914 1.00 0.00 O ATOM 0 H SER A 96 13.107 -9.344 4.780 1.00 0.00 H new ATOM 0 HA SER A 96 10.739 -9.860 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.873 -7.782 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.022 -8.821 8.002 1.00 0.00 H new ATOM 0 HG SER A 96 13.593 -10.239 7.760 1.00 0.00 H new ATOM 1468 N GLU A 97 11.009 -6.976 4.932 1.00 0.00 N ATOM 1469 CA GLU A 97 10.429 -5.694 4.668 1.00 0.00 C ATOM 1470 C GLU A 97 9.325 -5.804 3.604 1.00 0.00 C ATOM 1471 O GLU A 97 8.243 -5.258 3.756 1.00 0.00 O ATOM 1472 CB GLU A 97 11.577 -4.728 4.311 1.00 0.00 C ATOM 1473 CG GLU A 97 12.354 -5.003 3.019 1.00 0.00 C ATOM 1474 CD GLU A 97 12.955 -6.387 2.964 1.00 0.00 C ATOM 1475 OE1 GLU A 97 13.856 -6.713 3.754 1.00 0.00 O ATOM 1476 OE2 GLU A 97 12.448 -7.204 2.210 1.00 0.00 O ATOM 0 H GLU A 97 11.842 -7.162 4.374 1.00 0.00 H new ATOM 0 HA GLU A 97 9.919 -5.291 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.163 -3.722 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.287 -4.729 5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.687 -4.871 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.150 -4.265 2.918 1.00 0.00 H new ATOM 1483 N MET A 98 9.598 -6.555 2.565 1.00 0.00 N ATOM 1484 CA MET A 98 8.626 -6.851 1.523 1.00 0.00 C ATOM 1485 C MET A 98 7.444 -7.671 2.079 1.00 0.00 C ATOM 1486 O MET A 98 6.304 -7.386 1.779 1.00 0.00 O ATOM 1487 CB MET A 98 9.308 -7.505 0.298 1.00 0.00 C ATOM 1488 CG MET A 98 10.096 -8.763 0.584 1.00 0.00 C ATOM 1489 SD MET A 98 11.131 -9.284 -0.801 1.00 0.00 S ATOM 1490 CE MET A 98 12.185 -7.852 -1.029 1.00 0.00 C ATOM 0 H MET A 98 10.510 -6.986 2.411 1.00 0.00 H new ATOM 0 HA MET A 98 8.199 -5.913 1.168 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.541 -7.738 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.977 -6.774 -0.156 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.726 -8.599 1.458 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.405 -9.568 0.836 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.853 -7.291 -1.902 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.130 -7.215 -0.146 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.215 -8.178 -1.177 1.00 0.00 H new ATOM 1500 N LEU A 99 7.725 -8.680 2.907 1.00 0.00 N ATOM 1501 CA LEU A 99 6.641 -9.434 3.582 1.00 0.00 C ATOM 1502 C LEU A 99 5.872 -8.528 4.544 1.00 0.00 C ATOM 1503 O LEU A 99 4.664 -8.726 4.808 1.00 0.00 O ATOM 1504 CB LEU A 99 7.210 -10.598 4.387 1.00 0.00 C ATOM 1505 CG LEU A 99 7.921 -11.685 3.599 1.00 0.00 C ATOM 1506 CD1 LEU A 99 8.521 -12.699 4.556 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.950 -12.351 2.638 1.00 0.00 C ATOM 0 H LEU A 99 8.669 -8.996 3.129 1.00 0.00 H new ATOM 0 HA LEU A 99 5.975 -9.808 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.909 -10.196 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.394 -11.059 4.944 1.00 0.00 H new ATOM 0 HG LEU A 99 8.727 -11.242 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.030 -13.478 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.235 -12.202 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.728 -13.147 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.469 -13.129 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.129 -12.795 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.555 -11.607 1.946 1.00 0.00 H new ATOM 1519 N ALA A 100 6.613 -7.561 5.083 1.00 0.00 N ATOM 1520 CA ALA A 100 6.043 -6.582 5.993 1.00 0.00 C ATOM 1521 C ALA A 100 4.850 -5.902 5.371 1.00 0.00 C ATOM 1522 O ALA A 100 3.886 -5.627 6.070 1.00 0.00 O ATOM 1523 CB ALA A 100 7.060 -5.563 6.487 1.00 0.00 C ATOM 0 H ALA A 100 7.609 -7.439 4.902 1.00 0.00 H new ATOM 0 HA ALA A 100 5.711 -7.133 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.572 -4.860 7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.863 -6.077 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.474 -5.021 5.637 1.00 0.00 H new ATOM 1529 N LEU A 101 4.868 -5.739 4.042 1.00 0.00 N ATOM 1530 CA LEU A 101 3.792 -5.144 3.280 1.00 0.00 C ATOM 1531 C LEU A 101 2.486 -5.801 3.542 1.00 0.00 C ATOM 1532 O LEU A 101 1.523 -5.109 3.747 1.00 0.00 O ATOM 1533 CB LEU A 101 4.033 -5.179 1.799 1.00 0.00 C ATOM 1534 CG LEU A 101 4.927 -4.079 1.188 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.160 -2.770 1.127 1.00 0.00 C ATOM 1536 CD2 LEU A 101 6.187 -3.843 1.997 1.00 0.00 C ATOM 0 H LEU A 101 5.657 -6.029 3.464 1.00 0.00 H new ATOM 0 HA LEU A 101 3.762 -4.107 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.476 -6.144 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.064 -5.138 1.301 1.00 0.00 H new ATOM 0 HG LEU A 101 5.210 -4.421 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.795 -1.996 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.271 -2.897 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.863 -2.475 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.781 -3.060 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.918 -3.535 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.769 -4.764 2.041 1.00 0.00 H new ATOM 1548 N LEU A 102 2.415 -7.117 3.589 1.00 0.00 N ATOM 1549 CA LEU A 102 1.185 -7.818 3.797 1.00 0.00 C ATOM 1550 C LEU A 102 0.592 -7.512 5.153 1.00 0.00 C ATOM 1551 O LEU A 102 -0.560 -7.130 5.247 1.00 0.00 O ATOM 1552 CB LEU A 102 1.365 -9.325 3.653 1.00 0.00 C ATOM 1553 CG LEU A 102 0.140 -10.139 4.062 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.017 -9.935 3.087 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.478 -11.607 4.245 1.00 0.00 C ATOM 0 H LEU A 102 3.225 -7.727 3.481 1.00 0.00 H new ATOM 0 HA LEU A 102 0.498 -7.470 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.611 -9.554 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.215 -9.638 4.259 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.190 -9.768 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.873 -10.529 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.294 -8.881 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.711 -10.249 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.419 -12.153 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.862 -12.012 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.235 -11.712 5.022 1.00 0.00 H new ATOM 1567 N HIS A 103 1.363 -7.735 6.202 1.00 0.00 N ATOM 1568 CA HIS A 103 0.790 -7.458 7.528 1.00 0.00 C ATOM 1569 C HIS A 103 0.385 -5.973 7.687 1.00 0.00 C ATOM 1570 O HIS A 103 -0.597 -5.663 8.354 1.00 0.00 O ATOM 1571 CB HIS A 103 1.619 -7.990 8.715 1.00 0.00 C ATOM 1572 CG HIS A 103 3.006 -7.450 8.856 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.237 -6.126 9.131 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.188 -8.098 8.753 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.545 -5.994 9.178 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.162 -7.164 8.966 1.00 0.00 N ATOM 0 H HIS A 103 2.322 -8.082 6.183 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.127 -8.046 7.568 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.074 -7.776 9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.683 -9.075 8.628 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.334 -9.147 8.544 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.056 -5.061 9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.169 -7.327 8.964 1.00 0.00 H new ATOM 1584 N ILE A 104 1.083 -5.094 6.976 1.00 0.00 N ATOM 1585 CA ILE A 104 0.719 -3.669 7.043 1.00 0.00 C ATOM 1586 C ILE A 104 -0.491 -3.379 6.149 1.00 0.00 C ATOM 1587 O ILE A 104 -1.410 -2.681 6.533 1.00 0.00 O ATOM 1588 CB ILE A 104 1.929 -2.658 6.815 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.509 -1.171 6.768 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.741 -2.972 5.582 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.059 -0.696 5.387 1.00 0.00 C ATOM 0 H ILE A 104 1.871 -5.320 6.370 1.00 0.00 H new ATOM 0 HA ILE A 104 0.429 -3.476 8.076 1.00 0.00 H new ATOM 0 HB ILE A 104 2.548 -2.808 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.698 -1.010 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.347 -0.557 7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.549 -2.247 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.161 -3.974 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.100 -2.922 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.781 0.357 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.875 -0.822 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.200 -1.283 5.062 1.00 0.00 H new ATOM 1603 N THR A 105 -0.525 -4.022 5.025 1.00 0.00 N ATOM 1604 CA THR A 105 -1.575 -3.773 4.061 1.00 0.00 C ATOM 1605 C THR A 105 -2.860 -4.514 4.440 1.00 0.00 C ATOM 1606 O THR A 105 -3.951 -4.103 4.090 1.00 0.00 O ATOM 1607 CB THR A 105 -1.107 -4.124 2.616 1.00 0.00 C ATOM 1608 OG1 THR A 105 -1.899 -3.436 1.644 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.211 -5.620 2.368 1.00 0.00 C ATOM 0 H THR A 105 0.158 -4.725 4.743 1.00 0.00 H new ATOM 0 HA THR A 105 -1.801 -2.707 4.077 1.00 0.00 H new ATOM 0 HB THR A 105 -0.067 -3.811 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.588 -3.669 0.744 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.880 -5.845 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.581 -6.152 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.246 -5.938 2.490 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.742 -5.618 5.135 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.949 -6.287 5.514 1.00 0.00 C ATOM 1619 C ARG A 106 -4.446 -5.776 6.848 1.00 0.00 C ATOM 1620 O ARG A 106 -5.566 -5.366 6.949 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.864 -7.828 5.495 1.00 0.00 C ATOM 1622 CG ARG A 106 -3.068 -8.462 6.627 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.183 -9.972 6.590 1.00 0.00 C ATOM 1624 NE ARG A 106 -2.616 -10.590 7.797 1.00 0.00 N ATOM 1625 CZ ARG A 106 -2.437 -11.909 7.975 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -2.607 -12.753 6.962 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -2.051 -12.370 9.158 1.00 0.00 N ATOM 0 H ARG A 106 -1.868 -6.051 5.435 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.677 -6.040 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.877 -8.229 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.422 -8.137 4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.021 -8.171 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.431 -8.089 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.231 -10.255 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.668 -10.355 5.709 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.337 -9.970 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.875 -12.400 6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.470 -13.754 7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.891 -11.723 9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.914 -13.371 9.295 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.584 -5.680 7.839 1.00 0.00 N ATOM 1642 CA ASP A 107 -4.044 -5.384 9.192 1.00 0.00 C ATOM 1643 C ASP A 107 -4.302 -3.900 9.410 1.00 0.00 C ATOM 1644 O ASP A 107 -5.341 -3.510 9.962 1.00 0.00 O ATOM 1645 CB ASP A 107 -3.061 -5.954 10.222 1.00 0.00 C ATOM 1646 CG ASP A 107 -3.574 -5.895 11.640 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -4.357 -6.799 12.042 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -3.183 -4.985 12.384 1.00 0.00 O ATOM 0 H ASP A 107 -2.576 -5.799 7.743 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.008 -5.875 9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.840 -6.990 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.122 -5.403 10.160 1.00 0.00 H new ATOM 1653 N ALA A 108 -3.405 -3.067 8.924 1.00 0.00 N ATOM 1654 CA ALA A 108 -3.550 -1.627 9.094 1.00 0.00 C ATOM 1655 C ALA A 108 -4.708 -1.112 8.252 1.00 0.00 C ATOM 1656 O ALA A 108 -5.480 -0.317 8.700 1.00 0.00 O ATOM 1657 CB ALA A 108 -2.265 -0.913 8.744 1.00 0.00 C ATOM 0 H ALA A 108 -2.572 -3.355 8.411 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.769 -1.421 10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.397 0.161 8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.465 -1.264 9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.005 -1.119 7.706 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.896 -1.715 7.107 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.983 -1.280 6.194 1.00 0.00 C ATOM 1665 C TYR A 109 -7.324 -1.705 6.758 1.00 0.00 C ATOM 1666 O TYR A 109 -8.338 -1.055 6.629 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.739 -1.794 4.762 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.586 -1.089 4.081 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.349 -1.009 4.684 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -4.737 -0.499 2.846 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.302 -0.368 4.096 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -3.683 0.147 2.244 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.470 0.207 2.874 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.422 0.877 2.292 1.00 0.00 O ATOM 0 H TYR A 109 -4.336 -2.496 6.767 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.990 -0.192 6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.538 -2.865 4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.645 -1.657 4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.206 -1.468 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.693 -0.544 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.346 -0.316 4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.812 0.606 1.275 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.576 0.478 2.584 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.219 -2.773 7.454 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.407 -3.244 8.157 1.00 0.00 C ATOM 1686 C ARG A 110 -8.795 -2.333 9.339 1.00 0.00 C ATOM 1687 O ARG A 110 -9.771 -2.590 10.042 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.323 -4.712 8.502 1.00 0.00 C ATOM 1689 CG ARG A 110 -8.412 -5.551 7.250 1.00 0.00 C ATOM 1690 CD ARG A 110 -9.822 -5.571 6.684 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.893 -6.204 5.366 1.00 0.00 N ATOM 1692 CZ ARG A 110 -10.201 -7.481 5.128 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -10.314 -8.352 6.128 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -10.383 -7.887 3.877 1.00 0.00 N ATOM 0 H ARG A 110 -6.375 -3.334 7.567 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.244 -3.165 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.386 -4.918 9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -9.130 -4.979 9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.725 -5.159 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.095 -6.570 7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.478 -6.102 7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.195 -4.549 6.612 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.689 -5.617 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.165 -8.047 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.550 -9.325 5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.287 -7.225 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.619 -8.861 3.686 1.00 0.00 H new ATOM 1708 N SER A 111 -7.997 -1.294 9.565 1.00 0.00 N ATOM 1709 CA SER A 111 -8.279 -0.272 10.556 1.00 0.00 C ATOM 1710 C SER A 111 -8.963 1.011 9.946 1.00 0.00 C ATOM 1711 O SER A 111 -9.588 1.762 10.694 1.00 0.00 O ATOM 1712 CB SER A 111 -6.969 0.073 11.297 1.00 0.00 C ATOM 1713 OG SER A 111 -7.170 0.829 12.474 1.00 0.00 O ATOM 0 H SER A 111 -7.126 -1.140 9.056 1.00 0.00 H new ATOM 0 HA SER A 111 -9.008 -0.670 11.262 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.451 -0.851 11.552 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.316 0.629 10.624 1.00 0.00 H new ATOM 0 HG SER A 111 -6.305 1.013 12.896 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.911 1.249 8.605 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.520 2.471 7.999 1.00 0.00 C ATOM 1721 C TRP A 112 -10.095 2.144 6.616 1.00 0.00 C ATOM 1722 O TRP A 112 -11.217 2.527 6.262 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.477 3.642 7.891 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.064 3.226 8.223 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.302 2.344 7.524 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.247 3.666 9.315 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.087 2.206 8.084 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.022 2.985 9.198 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.426 4.553 10.382 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -3.988 3.150 10.089 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.387 4.720 11.278 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.181 4.020 11.129 1.00 0.00 C ATOM 0 H TRP A 112 -8.463 0.625 7.934 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.326 2.803 8.653 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.500 4.045 6.879 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.777 4.447 8.562 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.629 1.823 6.636 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.336 1.613 7.731 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.353 5.094 10.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.058 2.613 9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.506 5.401 12.107 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.389 4.170 11.848 1.00 0.00 H new ATOM 1743 N THR A 113 -9.314 1.384 5.882 1.00 0.00 N ATOM 1744 CA THR A 113 -9.641 0.951 4.523 1.00 0.00 C ATOM 1745 C THR A 113 -10.711 -0.163 4.422 1.00 0.00 C ATOM 1746 O THR A 113 -10.769 -0.865 3.410 1.00 0.00 O ATOM 1747 CB THR A 113 -8.348 0.482 3.848 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.241 1.122 4.502 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.330 0.915 2.398 1.00 0.00 C ATOM 0 H THR A 113 -8.413 1.037 6.211 1.00 0.00 H new ATOM 0 HA THR A 113 -10.085 1.812 4.024 1.00 0.00 H new ATOM 0 HB THR A 113 -8.284 -0.604 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.436 2.075 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.406 0.576 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.183 0.479 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.388 2.002 2.342 1.00 0.00 H new ATOM 1757 N ASN A 114 -11.580 -0.258 5.423 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.713 -1.202 5.456 1.00 0.00 C ATOM 1759 C ASN A 114 -12.290 -2.597 5.847 1.00 0.00 C ATOM 1760 O ASN A 114 -12.234 -2.866 7.066 1.00 0.00 O ATOM 1761 CB ASN A 114 -13.578 -1.209 4.170 1.00 0.00 C ATOM 1762 CG ASN A 114 -14.187 0.147 3.865 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -15.268 0.485 4.339 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -13.505 0.934 3.061 1.00 0.00 N ATOM 1765 OXT ASN A 114 -12.056 -3.443 4.966 1.00 0.00 O ATOM 0 H ASN A 114 -11.523 0.328 6.256 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.363 -0.819 6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.964 -1.525 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -14.375 -1.945 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.872 1.854 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.609 0.625 2.683 1.00 0.00 H new TER 1772 ASN A 114