USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 666 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 16 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.5!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0043) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 1.24 (180deg=0.114) USER MOD Single : A 3 SER OG : rot -45:sc= 0.0692 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -3.28 K(o=-3.3,f=-6.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.91 K(o=-0.91,f=-8.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -0.585 (180deg=-0.803) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00226 X(o=-0.0023,f=-0.078) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -2:sc= -4.09 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -12.1! C(o=-12!,f=-22!) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0.7 (180deg=0.666) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 62 SER OG : rot 82:sc= -1.13 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.118 (180deg=-0.552) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= -0.567 (180deg=-2.32!) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.255 7.302 -4.016 1.00 0.00 N ATOM 2 CA MET A 1 -8.022 7.267 -3.186 1.00 0.00 C ATOM 3 C MET A 1 -7.415 8.656 -3.047 1.00 0.00 C ATOM 4 O MET A 1 -7.389 9.432 -4.002 1.00 0.00 O ATOM 5 CB MET A 1 -7.019 6.317 -3.844 1.00 0.00 C ATOM 6 CG MET A 1 -7.542 4.898 -3.993 1.00 0.00 C ATOM 7 SD MET A 1 -8.683 4.718 -5.377 1.00 0.00 S ATOM 8 CE MET A 1 -9.891 3.597 -4.674 1.00 0.00 C ATOM 0 H1 MET A 1 -10.084 7.124 -3.414 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.346 8.236 -4.463 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.199 6.570 -4.752 1.00 0.00 H new ATOM 0 HA MET A 1 -8.273 6.915 -2.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.754 6.704 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.104 6.299 -3.252 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.701 4.218 -4.130 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.045 4.602 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.666 3.388 -5.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.401 2.666 -4.389 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.342 4.054 -3.793 1.00 0.00 H new ATOM 20 N ASP A 2 -6.931 8.966 -1.851 1.00 0.00 N ATOM 21 CA ASP A 2 -6.318 10.259 -1.594 1.00 0.00 C ATOM 22 C ASP A 2 -4.805 10.169 -1.723 1.00 0.00 C ATOM 23 O ASP A 2 -4.128 9.619 -0.854 1.00 0.00 O ATOM 24 CB ASP A 2 -6.697 10.762 -0.200 1.00 0.00 C ATOM 25 CG ASP A 2 -8.016 11.509 -0.194 1.00 0.00 C ATOM 26 OD1 ASP A 2 -8.340 12.151 -1.215 1.00 0.00 O ATOM 27 OD2 ASP A 2 -8.726 11.451 0.832 1.00 0.00 O ATOM 0 H ASP A 2 -6.952 8.340 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.689 10.966 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.759 9.916 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.910 11.417 0.173 1.00 0.00 H new ATOM 32 N SER A 3 -4.278 10.714 -2.813 1.00 0.00 N ATOM 33 CA SER A 3 -2.843 10.701 -3.053 1.00 0.00 C ATOM 34 C SER A 3 -2.098 11.245 -1.845 1.00 0.00 C ATOM 35 O SER A 3 -1.013 10.775 -1.502 1.00 0.00 O ATOM 36 CB SER A 3 -2.511 11.537 -4.284 1.00 0.00 C ATOM 37 OG SER A 3 -3.432 11.293 -5.332 1.00 0.00 O ATOM 0 H SER A 3 -4.824 11.170 -3.544 1.00 0.00 H new ATOM 0 HA SER A 3 -2.530 9.671 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.525 12.595 -4.023 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.501 11.306 -4.623 1.00 0.00 H new ATOM 0 HG SER A 3 -3.582 10.328 -5.418 1.00 0.00 H new ATOM 43 N LYS A 4 -2.702 12.228 -1.192 1.00 0.00 N ATOM 44 CA LYS A 4 -2.117 12.833 -0.009 1.00 0.00 C ATOM 45 C LYS A 4 -1.855 11.782 1.062 1.00 0.00 C ATOM 46 O LYS A 4 -0.760 11.705 1.610 1.00 0.00 O ATOM 47 CB LYS A 4 -3.054 13.907 0.539 1.00 0.00 C ATOM 48 CG LYS A 4 -3.211 15.103 -0.383 1.00 0.00 C ATOM 49 CD LYS A 4 -4.587 15.735 -0.245 1.00 0.00 C ATOM 50 CE LYS A 4 -4.587 16.851 0.787 1.00 0.00 C ATOM 51 NZ LYS A 4 -5.892 17.568 0.830 1.00 0.00 N ATOM 0 H LYS A 4 -3.602 12.623 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.166 13.287 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.034 13.465 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.677 14.249 1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.445 15.843 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.054 14.791 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.905 16.130 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.311 14.973 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.368 16.436 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.791 17.559 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.851 18.321 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.089 17.986 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.648 16.898 1.076 1.00 0.00 H new ATOM 65 N GLU A 5 -2.860 10.957 1.334 1.00 0.00 N ATOM 66 CA GLU A 5 -2.742 9.912 2.342 1.00 0.00 C ATOM 67 C GLU A 5 -1.783 8.819 1.881 1.00 0.00 C ATOM 68 O GLU A 5 -0.993 8.292 2.665 1.00 0.00 O ATOM 69 CB GLU A 5 -4.139 9.343 2.656 1.00 0.00 C ATOM 70 CG GLU A 5 -4.560 8.127 1.838 1.00 0.00 C ATOM 71 CD GLU A 5 -4.081 6.826 2.446 1.00 0.00 C ATOM 72 OE1 GLU A 5 -4.135 6.696 3.686 1.00 0.00 O ATOM 73 OE2 GLU A 5 -3.669 5.930 1.680 1.00 0.00 O ATOM 0 H GLU A 5 -3.767 10.993 0.869 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.327 10.338 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.173 9.076 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.875 10.132 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.647 8.107 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.165 8.219 0.826 1.00 0.00 H new ATOM 80 N VAL A 6 -1.853 8.504 0.598 1.00 0.00 N ATOM 81 CA VAL A 6 -1.005 7.470 0.011 1.00 0.00 C ATOM 82 C VAL A 6 0.454 7.924 -0.081 1.00 0.00 C ATOM 83 O VAL A 6 1.354 7.232 0.389 1.00 0.00 O ATOM 84 CB VAL A 6 -1.513 7.065 -1.388 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.566 6.074 -2.057 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.913 6.486 -1.277 1.00 0.00 C ATOM 0 H VAL A 6 -2.490 8.950 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.055 6.604 0.671 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.546 7.956 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.953 5.809 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.419 6.528 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.487 5.176 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.268 6.201 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.893 5.608 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.583 7.233 -0.852 1.00 0.00 H new ATOM 96 N LEU A 7 0.694 9.074 -0.704 1.00 0.00 N ATOM 97 CA LEU A 7 2.058 9.574 -0.843 1.00 0.00 C ATOM 98 C LEU A 7 2.715 9.705 0.526 1.00 0.00 C ATOM 99 O LEU A 7 3.899 9.417 0.684 1.00 0.00 O ATOM 100 CB LEU A 7 2.084 10.909 -1.589 1.00 0.00 C ATOM 101 CG LEU A 7 3.072 10.977 -2.763 1.00 0.00 C ATOM 102 CD1 LEU A 7 2.983 9.725 -3.631 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.819 12.222 -3.599 1.00 0.00 C ATOM 0 H LEU A 7 -0.025 9.669 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 7 2.626 8.855 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.082 11.118 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.330 11.700 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 7 4.080 11.030 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.694 9.802 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.218 8.847 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.973 9.631 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.528 12.255 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.803 12.196 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.945 13.109 -2.978 1.00 0.00 H new ATOM 115 N VAL A 8 1.936 10.096 1.528 1.00 0.00 N ATOM 116 CA VAL A 8 2.450 10.152 2.890 1.00 0.00 C ATOM 117 C VAL A 8 2.895 8.755 3.300 1.00 0.00 C ATOM 118 O VAL A 8 4.007 8.551 3.795 1.00 0.00 O ATOM 119 CB VAL A 8 1.390 10.667 3.886 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.894 10.563 5.321 1.00 0.00 C ATOM 121 CG2 VAL A 8 1.001 12.097 3.558 1.00 0.00 C ATOM 0 H VAL A 8 0.960 10.375 1.426 1.00 0.00 H new ATOM 0 HA VAL A 8 3.288 10.849 2.913 1.00 0.00 H new ATOM 0 HB VAL A 8 0.504 10.039 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.128 10.932 6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.116 9.522 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.799 11.161 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.253 12.443 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.882 12.736 3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.589 12.140 2.550 1.00 0.00 H new ATOM 131 N HIS A 9 2.020 7.790 3.048 1.00 0.00 N ATOM 132 CA HIS A 9 2.323 6.401 3.328 1.00 0.00 C ATOM 133 C HIS A 9 3.601 6.006 2.609 1.00 0.00 C ATOM 134 O HIS A 9 4.410 5.238 3.131 1.00 0.00 O ATOM 135 CB HIS A 9 1.162 5.506 2.898 1.00 0.00 C ATOM 136 CG HIS A 9 -0.034 5.634 3.784 1.00 0.00 C ATOM 137 ND1 HIS A 9 0.055 5.940 5.126 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.353 5.511 3.515 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.158 5.993 5.645 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.030 5.736 4.688 1.00 0.00 N ATOM 0 H HIS A 9 1.095 7.949 2.650 1.00 0.00 H new ATOM 0 HA HIS A 9 2.467 6.274 4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.878 5.755 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.494 4.468 2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.792 5.279 2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.396 6.210 6.676 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.043 5.709 4.802 1.00 0.00 H new ATOM 149 N VAL A 10 3.798 6.571 1.420 1.00 0.00 N ATOM 150 CA VAL A 10 5.018 6.333 0.671 1.00 0.00 C ATOM 151 C VAL A 10 6.206 6.859 1.459 1.00 0.00 C ATOM 152 O VAL A 10 7.302 6.324 1.369 1.00 0.00 O ATOM 153 CB VAL A 10 5.008 6.987 -0.723 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.289 6.645 -1.469 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.786 6.554 -1.515 1.00 0.00 C ATOM 0 H VAL A 10 3.131 7.192 0.962 1.00 0.00 H new ATOM 0 HA VAL A 10 5.093 5.256 0.522 1.00 0.00 H new ATOM 0 HB VAL A 10 4.957 8.069 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.272 7.112 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.147 7.014 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.367 5.564 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.801 7.029 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.796 5.471 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.883 6.851 -0.982 1.00 0.00 H new ATOM 165 N LYS A 11 5.982 7.933 2.215 1.00 0.00 N ATOM 166 CA LYS A 11 7.023 8.487 3.068 1.00 0.00 C ATOM 167 C LYS A 11 7.525 7.403 4.010 1.00 0.00 C ATOM 168 O LYS A 11 8.728 7.180 4.145 1.00 0.00 O ATOM 169 CB LYS A 11 6.481 9.668 3.870 1.00 0.00 C ATOM 170 CG LYS A 11 7.551 10.652 4.310 1.00 0.00 C ATOM 171 CD LYS A 11 8.280 10.166 5.552 1.00 0.00 C ATOM 172 CE LYS A 11 8.662 11.321 6.464 1.00 0.00 C ATOM 173 NZ LYS A 11 8.861 10.876 7.871 1.00 0.00 N ATOM 0 H LYS A 11 5.093 8.432 2.252 1.00 0.00 H new ATOM 0 HA LYS A 11 7.846 8.842 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.741 10.195 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.964 9.290 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.267 10.798 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.095 11.621 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.646 9.466 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.177 9.621 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.577 11.785 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.883 12.083 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.120 11.693 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.980 10.456 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.622 10.168 7.907 1.00 0.00 H new ATOM 187 N ASN A 12 6.580 6.704 4.627 1.00 0.00 N ATOM 188 CA ASN A 12 6.898 5.580 5.490 1.00 0.00 C ATOM 189 C ASN A 12 7.557 4.490 4.665 1.00 0.00 C ATOM 190 O ASN A 12 8.606 3.956 5.026 1.00 0.00 O ATOM 191 CB ASN A 12 5.621 5.043 6.135 1.00 0.00 C ATOM 192 CG ASN A 12 4.662 6.146 6.543 1.00 0.00 C ATOM 193 OD1 ASN A 12 4.197 6.921 5.708 1.00 0.00 O ATOM 194 ND2 ASN A 12 4.360 6.219 7.835 1.00 0.00 N ATOM 0 H ASN A 12 5.582 6.900 4.543 1.00 0.00 H new ATOM 0 HA ASN A 12 7.579 5.905 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.121 4.372 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.883 4.452 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.719 6.939 8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.769 5.555 8.493 1.00 0.00 H new ATOM 201 N LEU A 13 6.942 4.205 3.526 1.00 0.00 N ATOM 202 CA LEU A 13 7.472 3.248 2.571 1.00 0.00 C ATOM 203 C LEU A 13 8.932 3.596 2.264 1.00 0.00 C ATOM 204 O LEU A 13 9.808 2.736 2.300 1.00 0.00 O ATOM 205 CB LEU A 13 6.591 3.307 1.308 1.00 0.00 C ATOM 206 CG LEU A 13 6.771 2.199 0.260 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.179 2.623 -1.076 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.220 1.879 0.067 1.00 0.00 C ATOM 0 H LEU A 13 6.061 4.632 3.240 1.00 0.00 H new ATOM 0 HA LEU A 13 7.454 2.233 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.548 3.302 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.770 4.264 0.818 1.00 0.00 H new ATOM 0 HG LEU A 13 6.251 1.314 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.317 1.824 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.115 2.824 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.681 3.525 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.322 1.092 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.748 2.771 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.647 1.541 1.011 1.00 0.00 H new ATOM 220 N GLU A 14 9.180 4.887 2.058 1.00 0.00 N ATOM 221 CA GLU A 14 10.510 5.408 1.769 1.00 0.00 C ATOM 222 C GLU A 14 11.527 4.977 2.816 1.00 0.00 C ATOM 223 O GLU A 14 12.625 4.535 2.482 1.00 0.00 O ATOM 224 CB GLU A 14 10.445 6.932 1.697 1.00 0.00 C ATOM 225 CG GLU A 14 10.538 7.474 0.282 1.00 0.00 C ATOM 226 CD GLU A 14 11.921 7.313 -0.317 1.00 0.00 C ATOM 227 OE1 GLU A 14 12.833 6.861 0.408 1.00 0.00 O ATOM 228 OE2 GLU A 14 12.094 7.638 -1.510 1.00 0.00 O ATOM 0 H GLU A 14 8.456 5.605 2.088 1.00 0.00 H new ATOM 0 HA GLU A 14 10.837 5.001 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.511 7.270 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.256 7.351 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.812 6.960 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.268 8.530 0.283 1.00 0.00 H new ATOM 235 N LYS A 15 11.168 5.121 4.081 1.00 0.00 N ATOM 236 CA LYS A 15 12.060 4.736 5.162 1.00 0.00 C ATOM 237 C LYS A 15 12.392 3.251 5.077 1.00 0.00 C ATOM 238 O LYS A 15 13.520 2.835 5.341 1.00 0.00 O ATOM 239 CB LYS A 15 11.417 5.054 6.512 1.00 0.00 C ATOM 240 CG LYS A 15 12.041 6.246 7.220 1.00 0.00 C ATOM 241 CD LYS A 15 11.253 6.632 8.461 1.00 0.00 C ATOM 242 CE LYS A 15 12.160 7.182 9.549 1.00 0.00 C ATOM 243 NZ LYS A 15 11.900 6.539 10.867 1.00 0.00 N ATOM 0 H LYS A 15 10.270 5.499 4.384 1.00 0.00 H new ATOM 0 HA LYS A 15 12.985 5.304 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.355 5.247 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.494 4.178 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.068 6.008 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.085 7.094 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.503 7.379 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.717 5.761 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.201 7.025 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.012 8.259 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.539 6.942 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.914 6.710 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.066 5.515 10.792 1.00 0.00 H new ATOM 257 N ASN A 16 11.396 2.464 4.693 1.00 0.00 N ATOM 258 CA ASN A 16 11.552 1.018 4.562 1.00 0.00 C ATOM 259 C ASN A 16 12.116 0.628 3.192 1.00 0.00 C ATOM 260 O ASN A 16 12.575 -0.496 3.000 1.00 0.00 O ATOM 261 CB ASN A 16 10.198 0.331 4.771 1.00 0.00 C ATOM 262 CG ASN A 16 9.707 0.446 6.200 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.713 -0.529 6.952 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.276 1.642 6.584 1.00 0.00 N ATOM 0 H ASN A 16 10.462 2.805 4.464 1.00 0.00 H new ATOM 0 HA ASN A 16 12.260 0.691 5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.462 0.773 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.282 -0.722 4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.933 1.779 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.288 2.423 5.928 1.00 0.00 H new ATOM 271 N LYS A 17 12.020 1.546 2.235 1.00 0.00 N ATOM 272 CA LYS A 17 12.398 1.283 0.851 1.00 0.00 C ATOM 273 C LYS A 17 13.739 0.592 0.673 1.00 0.00 C ATOM 274 O LYS A 17 14.718 1.222 0.271 1.00 0.00 O ATOM 275 CB LYS A 17 12.430 2.576 0.043 1.00 0.00 C ATOM 276 CG LYS A 17 11.083 2.992 -0.501 1.00 0.00 C ATOM 277 CD LYS A 17 11.194 4.181 -1.441 1.00 0.00 C ATOM 278 CE LYS A 17 9.828 4.775 -1.746 1.00 0.00 C ATOM 279 NZ LYS A 17 9.924 5.955 -2.650 1.00 0.00 N ATOM 0 H LYS A 17 11.678 2.493 2.397 1.00 0.00 H new ATOM 0 HA LYS A 17 11.629 0.599 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.820 3.376 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.125 2.456 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.630 2.153 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.419 3.244 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.832 4.943 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.673 3.870 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.197 4.015 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.344 5.070 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.982 6.381 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.573 6.656 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.283 5.653 -3.578 1.00 0.00 H new ATOM 293 N SER A 18 13.739 -0.724 0.781 1.00 0.00 N ATOM 294 CA SER A 18 14.890 -1.501 0.373 1.00 0.00 C ATOM 295 C SER A 18 14.949 -1.424 -1.152 1.00 0.00 C ATOM 296 O SER A 18 16.017 -1.310 -1.753 1.00 0.00 O ATOM 297 CB SER A 18 14.769 -2.954 0.834 1.00 0.00 C ATOM 298 OG SER A 18 16.043 -3.506 1.119 1.00 0.00 O ATOM 0 H SER A 18 12.960 -1.272 1.145 1.00 0.00 H new ATOM 0 HA SER A 18 15.800 -1.106 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.140 -3.006 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.278 -3.545 0.061 1.00 0.00 H new ATOM 0 HG SER A 18 15.939 -4.435 1.413 1.00 0.00 H new ATOM 304 N ASN A 19 13.751 -1.389 -1.748 1.00 0.00 N ATOM 305 CA ASN A 19 13.571 -1.198 -3.179 1.00 0.00 C ATOM 306 C ASN A 19 13.008 0.197 -3.414 1.00 0.00 C ATOM 307 O ASN A 19 11.982 0.543 -2.846 1.00 0.00 O ATOM 308 CB ASN A 19 12.588 -2.234 -3.724 1.00 0.00 C ATOM 309 CG ASN A 19 13.211 -3.131 -4.774 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.928 -3.005 -5.965 1.00 0.00 O ATOM 311 ND2 ASN A 19 14.067 -4.047 -4.334 1.00 0.00 N ATOM 0 H ASN A 19 12.874 -1.494 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 19 14.528 -1.313 -3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.218 -2.846 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.727 -1.722 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.519 -4.681 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.272 -4.116 -3.337 1.00 0.00 H new ATOM 318 N ASP A 20 13.744 1.051 -4.102 1.00 0.00 N ATOM 319 CA ASP A 20 13.277 2.414 -4.311 1.00 0.00 C ATOM 320 C ASP A 20 12.150 2.521 -5.344 1.00 0.00 C ATOM 321 O ASP A 20 11.049 2.982 -5.039 1.00 0.00 O ATOM 322 CB ASP A 20 14.440 3.305 -4.746 1.00 0.00 C ATOM 323 CG ASP A 20 15.650 3.164 -3.844 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.508 3.385 -2.622 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.739 2.834 -4.358 1.00 0.00 O ATOM 0 H ASP A 20 14.649 0.834 -4.519 1.00 0.00 H new ATOM 0 HA ASP A 20 12.871 2.746 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.722 3.054 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.114 4.345 -4.751 1.00 0.00 H new ATOM 330 N ALA A 21 12.458 2.130 -6.576 1.00 0.00 N ATOM 331 CA ALA A 21 11.548 2.317 -7.705 1.00 0.00 C ATOM 332 C ALA A 21 10.313 1.414 -7.700 1.00 0.00 C ATOM 333 O ALA A 21 9.204 1.888 -7.951 1.00 0.00 O ATOM 334 CB ALA A 21 12.310 2.157 -9.006 1.00 0.00 C ATOM 0 H ALA A 21 13.339 1.677 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 21 11.157 3.330 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.629 2.297 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.105 2.901 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.744 1.158 -9.053 1.00 0.00 H new ATOM 340 N ALA A 22 10.494 0.113 -7.491 1.00 0.00 N ATOM 341 CA ALA A 22 9.370 -0.817 -7.597 1.00 0.00 C ATOM 342 C ALA A 22 8.206 -0.384 -6.721 1.00 0.00 C ATOM 343 O ALA A 22 7.140 -0.049 -7.218 1.00 0.00 O ATOM 344 CB ALA A 22 9.805 -2.225 -7.230 1.00 0.00 C ATOM 0 H ALA A 22 11.388 -0.316 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 22 9.034 -0.810 -8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.955 -2.902 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.596 -2.549 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.176 -2.236 -6.205 1.00 0.00 H new ATOM 350 N VAL A 23 8.448 -0.286 -5.435 1.00 0.00 N ATOM 351 CA VAL A 23 7.426 0.149 -4.501 1.00 0.00 C ATOM 352 C VAL A 23 7.011 1.580 -4.794 1.00 0.00 C ATOM 353 O VAL A 23 5.840 1.931 -4.689 1.00 0.00 O ATOM 354 CB VAL A 23 7.952 0.049 -3.066 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.990 -1.407 -2.642 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.338 0.667 -2.988 1.00 0.00 C ATOM 0 H VAL A 23 9.348 -0.502 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 23 6.557 -0.499 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 23 7.291 0.592 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.364 -1.479 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.985 -1.826 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.648 -1.963 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.711 0.595 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.012 0.134 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.286 1.715 -3.283 1.00 0.00 H new ATOM 366 N LEU A 24 7.976 2.394 -5.197 1.00 0.00 N ATOM 367 CA LEU A 24 7.707 3.783 -5.530 1.00 0.00 C ATOM 368 C LEU A 24 6.683 3.875 -6.654 1.00 0.00 C ATOM 369 O LEU A 24 5.668 4.562 -6.531 1.00 0.00 O ATOM 370 CB LEU A 24 9.004 4.469 -5.956 1.00 0.00 C ATOM 371 CG LEU A 24 8.827 5.817 -6.663 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.470 6.924 -5.851 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.411 5.766 -8.066 1.00 0.00 C ATOM 0 H LEU A 24 8.952 2.115 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 24 7.303 4.282 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.624 4.619 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.550 3.798 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 24 7.761 6.028 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.337 7.876 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.002 6.973 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.534 6.720 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.276 6.732 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.475 5.534 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.902 4.995 -8.644 1.00 0.00 H new ATOM 385 N GLU A 25 6.968 3.192 -7.756 1.00 0.00 N ATOM 386 CA GLU A 25 6.076 3.194 -8.903 1.00 0.00 C ATOM 387 C GLU A 25 4.876 2.302 -8.643 1.00 0.00 C ATOM 388 O GLU A 25 3.768 2.588 -9.093 1.00 0.00 O ATOM 389 CB GLU A 25 6.818 2.732 -10.156 1.00 0.00 C ATOM 390 CG GLU A 25 6.882 3.793 -11.241 1.00 0.00 C ATOM 391 CD GLU A 25 8.220 3.820 -11.953 1.00 0.00 C ATOM 392 OE1 GLU A 25 8.539 2.837 -12.655 1.00 0.00 O ATOM 393 OE2 GLU A 25 8.949 4.825 -11.811 1.00 0.00 O ATOM 0 H GLU A 25 7.811 2.630 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 25 5.723 4.213 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.832 2.440 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.327 1.844 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.091 3.611 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.690 4.771 -10.799 1.00 0.00 H new ATOM 400 N ILE A 26 5.106 1.226 -7.904 1.00 0.00 N ATOM 401 CA ILE A 26 4.036 0.306 -7.548 1.00 0.00 C ATOM 402 C ILE A 26 2.998 1.029 -6.704 1.00 0.00 C ATOM 403 O ILE A 26 1.812 1.009 -7.027 1.00 0.00 O ATOM 404 CB ILE A 26 4.574 -0.954 -6.808 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.239 -1.910 -7.804 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.470 -1.698 -6.063 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.935 -3.078 -7.141 1.00 0.00 C ATOM 0 H ILE A 26 6.023 0.969 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 26 3.569 -0.044 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 26 5.304 -0.607 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.484 -2.289 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.964 -1.356 -8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.892 -2.569 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.021 -1.036 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.707 -2.021 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.384 -3.715 -7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.713 -2.707 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.210 -3.655 -6.567 1.00 0.00 H new ATOM 419 N LEU A 27 3.442 1.704 -5.652 1.00 0.00 N ATOM 420 CA LEU A 27 2.505 2.399 -4.788 1.00 0.00 C ATOM 421 C LEU A 27 1.816 3.547 -5.527 1.00 0.00 C ATOM 422 O LEU A 27 0.613 3.767 -5.370 1.00 0.00 O ATOM 423 CB LEU A 27 3.163 2.922 -3.507 1.00 0.00 C ATOM 424 CG LEU A 27 2.492 2.462 -2.202 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.862 3.378 -1.052 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.975 2.409 -2.343 1.00 0.00 C ATOM 0 H LEU A 27 4.423 1.783 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 27 1.756 1.663 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.205 2.603 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.163 4.012 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 27 2.856 1.457 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.375 3.032 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.943 3.368 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.534 4.393 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.533 2.080 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.598 3.401 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.707 1.708 -3.134 1.00 0.00 H new ATOM 438 N HIS A 28 2.583 4.282 -6.327 1.00 0.00 N ATOM 439 CA HIS A 28 2.038 5.408 -7.077 1.00 0.00 C ATOM 440 C HIS A 28 0.849 4.971 -7.926 1.00 0.00 C ATOM 441 O HIS A 28 -0.253 5.501 -7.788 1.00 0.00 O ATOM 442 CB HIS A 28 3.119 6.005 -7.980 1.00 0.00 C ATOM 443 CG HIS A 28 2.855 7.425 -8.373 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.457 7.794 -9.641 1.00 0.00 N ATOM 445 CD2 HIS A 28 2.933 8.572 -7.656 1.00 0.00 C ATOM 446 CE1 HIS A 28 2.302 9.106 -9.687 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.585 9.600 -8.497 1.00 0.00 N ATOM 0 H HIS A 28 3.579 4.119 -6.472 1.00 0.00 H new ATOM 0 HA HIS A 28 1.700 6.160 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.079 5.951 -7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.204 5.397 -8.881 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.216 8.661 -6.618 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.996 9.676 -10.552 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.551 10.587 -8.243 1.00 0.00 H new ATOM 456 N VAL A 29 1.071 3.980 -8.785 1.00 0.00 N ATOM 457 CA VAL A 29 0.003 3.445 -9.623 1.00 0.00 C ATOM 458 C VAL A 29 -1.054 2.789 -8.748 1.00 0.00 C ATOM 459 O VAL A 29 -2.247 2.828 -9.048 1.00 0.00 O ATOM 460 CB VAL A 29 0.535 2.418 -10.638 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.237 1.278 -9.921 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.593 1.895 -11.518 1.00 0.00 C ATOM 0 H VAL A 29 1.978 3.533 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.431 4.276 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 29 1.261 2.914 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.607 0.561 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.074 1.672 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.535 0.782 -9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.194 1.170 -12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.348 1.415 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.045 2.725 -12.061 1.00 0.00 H new ATOM 472 N LEU A 30 -0.594 2.212 -7.644 1.00 0.00 N ATOM 473 CA LEU A 30 -1.475 1.579 -6.669 1.00 0.00 C ATOM 474 C LEU A 30 -2.620 2.517 -6.311 1.00 0.00 C ATOM 475 O LEU A 30 -3.746 2.080 -6.078 1.00 0.00 O ATOM 476 CB LEU A 30 -0.669 1.257 -5.400 1.00 0.00 C ATOM 477 CG LEU A 30 -0.563 -0.217 -4.964 1.00 0.00 C ATOM 478 CD1 LEU A 30 -1.738 -1.041 -5.462 1.00 0.00 C ATOM 479 CD2 LEU A 30 0.758 -0.821 -5.426 1.00 0.00 C ATOM 0 H LEU A 30 0.395 2.170 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.885 0.664 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.343 1.637 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.107 1.818 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.592 -0.238 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.624 -2.074 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.665 -0.632 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.769 -1.009 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.813 -1.862 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.821 -0.770 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.586 -0.264 -4.988 1.00 0.00 H new ATOM 491 N ASP A 31 -2.324 3.816 -6.345 1.00 0.00 N ATOM 492 CA ASP A 31 -3.292 4.846 -5.985 1.00 0.00 C ATOM 493 C ASP A 31 -4.612 4.643 -6.717 1.00 0.00 C ATOM 494 O ASP A 31 -5.682 4.900 -6.166 1.00 0.00 O ATOM 495 CB ASP A 31 -2.727 6.222 -6.322 1.00 0.00 C ATOM 496 CG ASP A 31 -3.227 7.301 -5.383 1.00 0.00 C ATOM 497 OD1 ASP A 31 -2.806 7.308 -4.207 1.00 0.00 O ATOM 498 OD2 ASP A 31 -4.041 8.140 -5.824 1.00 0.00 O ATOM 0 H ASP A 31 -1.412 4.180 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.481 4.775 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.638 6.184 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.998 6.482 -7.345 1.00 0.00 H new ATOM 503 N LYS A 32 -4.535 4.168 -7.953 1.00 0.00 N ATOM 504 CA LYS A 32 -5.732 3.909 -8.738 1.00 0.00 C ATOM 505 C LYS A 32 -6.641 2.932 -7.997 1.00 0.00 C ATOM 506 O LYS A 32 -7.773 3.261 -7.648 1.00 0.00 O ATOM 507 CB LYS A 32 -5.335 3.344 -10.110 1.00 0.00 C ATOM 508 CG LYS A 32 -6.484 2.744 -10.907 1.00 0.00 C ATOM 509 CD LYS A 32 -6.022 1.552 -11.728 1.00 0.00 C ATOM 510 CE LYS A 32 -6.462 0.241 -11.098 1.00 0.00 C ATOM 511 NZ LYS A 32 -7.239 -0.601 -12.049 1.00 0.00 N ATOM 0 H LYS A 32 -3.659 3.955 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.278 4.841 -8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.880 4.141 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.572 2.579 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.278 2.435 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.906 3.502 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.425 1.626 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.936 1.568 -11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.585 -0.310 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.070 0.448 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.520 -1.486 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.089 -0.086 -12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.651 -0.821 -12.878 1.00 0.00 H new ATOM 525 N GLU A 33 -6.131 1.729 -7.764 1.00 0.00 N ATOM 526 CA GLU A 33 -6.872 0.703 -7.038 1.00 0.00 C ATOM 527 C GLU A 33 -6.319 0.538 -5.626 1.00 0.00 C ATOM 528 O GLU A 33 -6.143 -0.582 -5.146 1.00 0.00 O ATOM 529 CB GLU A 33 -6.799 -0.621 -7.787 1.00 0.00 C ATOM 530 CG GLU A 33 -8.162 -1.183 -8.151 1.00 0.00 C ATOM 531 CD GLU A 33 -8.570 -2.346 -7.270 1.00 0.00 C ATOM 532 OE1 GLU A 33 -8.786 -2.127 -6.060 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.674 -3.477 -7.791 1.00 0.00 O ATOM 0 H GLU A 33 -5.202 1.438 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.914 1.014 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.216 -0.483 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.266 -1.348 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.909 -0.393 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.150 -1.507 -9.192 1.00 0.00 H new ATOM 540 N PHE A 34 -6.016 1.653 -4.971 1.00 0.00 N ATOM 541 CA PHE A 34 -5.410 1.606 -3.653 1.00 0.00 C ATOM 542 C PHE A 34 -6.426 1.411 -2.531 1.00 0.00 C ATOM 543 O PHE A 34 -7.640 1.477 -2.724 1.00 0.00 O ATOM 544 CB PHE A 34 -4.543 2.835 -3.382 1.00 0.00 C ATOM 545 CG PHE A 34 -3.405 2.534 -2.440 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.660 1.374 -2.588 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.140 3.355 -1.358 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.654 1.062 -1.698 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.138 3.046 -0.460 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.394 1.897 -0.630 1.00 0.00 C ATOM 0 H PHE A 34 -6.180 2.593 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.769 0.725 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.143 3.210 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.161 3.628 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.870 0.707 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.726 4.251 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.070 0.164 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.937 3.702 0.374 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.610 1.651 0.071 1.00 0.00 H new ATOM 560 N VAL A 35 -5.867 1.146 -1.359 1.00 0.00 N ATOM 561 CA VAL A 35 -6.590 0.795 -0.146 1.00 0.00 C ATOM 562 C VAL A 35 -7.181 1.967 0.693 1.00 0.00 C ATOM 563 O VAL A 35 -7.746 1.710 1.751 1.00 0.00 O ATOM 564 CB VAL A 35 -5.577 0.024 0.731 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.471 0.958 1.181 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.218 -0.689 1.905 1.00 0.00 C ATOM 0 H VAL A 35 -4.857 1.171 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.470 0.232 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.150 -0.766 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.760 0.409 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.958 1.361 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.899 1.776 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.450 -1.209 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.717 0.039 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.948 -1.410 1.538 1.00 0.00 H new ATOM 576 N PRO A 36 -7.081 3.259 0.296 1.00 0.00 N ATOM 577 CA PRO A 36 -7.598 4.356 1.117 1.00 0.00 C ATOM 578 C PRO A 36 -9.026 4.779 0.799 1.00 0.00 C ATOM 579 O PRO A 36 -9.243 5.761 0.090 1.00 0.00 O ATOM 580 CB PRO A 36 -6.639 5.487 0.783 1.00 0.00 C ATOM 581 CG PRO A 36 -6.254 5.254 -0.639 1.00 0.00 C ATOM 582 CD PRO A 36 -6.427 3.779 -0.910 1.00 0.00 C ATOM 0 HA PRO A 36 -7.647 4.067 2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.115 6.459 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.767 5.472 1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.879 5.845 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.222 5.559 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.036 3.607 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.467 3.292 -1.083 1.00 0.00 H new ATOM 590 N THR A 37 -9.997 4.093 1.389 1.00 0.00 N ATOM 591 CA THR A 37 -11.393 4.492 1.244 1.00 0.00 C ATOM 592 C THR A 37 -12.007 4.701 2.627 1.00 0.00 C ATOM 593 O THR A 37 -11.293 4.692 3.628 1.00 0.00 O ATOM 594 CB THR A 37 -12.203 3.482 0.424 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.908 2.590 1.269 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.367 2.664 -0.542 1.00 0.00 C ATOM 0 H THR A 37 -9.847 3.266 1.967 1.00 0.00 H new ATOM 0 HA THR A 37 -11.424 5.430 0.690 1.00 0.00 H new ATOM 0 HB THR A 37 -12.894 4.087 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.419 1.956 0.723 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.011 1.973 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.872 3.330 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.617 2.101 0.013 1.00 0.00 H new ATOM 604 N GLU A 38 -13.320 4.894 2.695 1.00 0.00 N ATOM 605 CA GLU A 38 -13.966 5.115 3.984 1.00 0.00 C ATOM 606 C GLU A 38 -13.652 3.971 4.944 1.00 0.00 C ATOM 607 O GLU A 38 -13.043 4.176 5.994 1.00 0.00 O ATOM 608 CB GLU A 38 -15.481 5.244 3.805 1.00 0.00 C ATOM 609 CG GLU A 38 -15.924 6.619 3.334 1.00 0.00 C ATOM 610 CD GLU A 38 -17.241 7.051 3.949 1.00 0.00 C ATOM 611 OE1 GLU A 38 -17.389 6.928 5.183 1.00 0.00 O ATOM 612 OE2 GLU A 38 -18.125 7.512 3.196 1.00 0.00 O ATOM 0 H GLU A 38 -13.947 4.902 1.891 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.579 6.043 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.818 4.497 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.971 5.019 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.154 7.349 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.019 6.614 2.248 1.00 0.00 H new ATOM 619 N LYS A 39 -14.042 2.760 4.560 1.00 0.00 N ATOM 620 CA LYS A 39 -13.755 1.570 5.354 1.00 0.00 C ATOM 621 C LYS A 39 -12.327 1.090 5.112 1.00 0.00 C ATOM 622 O LYS A 39 -11.602 0.737 6.042 1.00 0.00 O ATOM 623 CB LYS A 39 -14.742 0.453 5.012 1.00 0.00 C ATOM 624 CG LYS A 39 -16.197 0.842 5.215 1.00 0.00 C ATOM 625 CD LYS A 39 -17.136 -0.291 4.833 1.00 0.00 C ATOM 626 CE LYS A 39 -17.417 -1.203 6.015 1.00 0.00 C ATOM 627 NZ LYS A 39 -17.138 -2.630 5.695 1.00 0.00 N ATOM 0 H LYS A 39 -14.560 2.576 3.701 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.862 1.831 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.596 0.156 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.519 -0.419 5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.360 1.115 6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.426 1.723 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.073 0.122 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.697 -0.871 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.806 -0.895 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.459 -1.096 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.342 -3.219 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.739 -2.932 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.138 -2.738 5.432 1.00 0.00 H new ATOM 641 N LEU A 40 -11.958 1.051 3.838 1.00 0.00 N ATOM 642 CA LEU A 40 -10.654 0.565 3.403 1.00 0.00 C ATOM 643 C LEU A 40 -9.498 1.360 4.014 1.00 0.00 C ATOM 644 O LEU A 40 -8.391 0.840 4.150 1.00 0.00 O ATOM 645 CB LEU A 40 -10.589 0.637 1.878 1.00 0.00 C ATOM 646 CG LEU A 40 -10.312 -0.673 1.147 1.00 0.00 C ATOM 647 CD1 LEU A 40 -9.896 -0.387 -0.290 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.246 -1.469 1.869 1.00 0.00 C ATOM 0 H LEU A 40 -12.558 1.357 3.073 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.544 -0.464 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.535 1.037 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.814 1.352 1.603 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.224 -1.270 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.700 -1.327 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.697 0.147 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.993 0.224 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.062 -2.400 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.325 -0.887 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.582 -1.693 2.881 1.00 0.00 H new ATOM 660 N LEU A 41 -9.740 2.624 4.361 1.00 0.00 N ATOM 661 CA LEU A 41 -8.689 3.459 4.944 1.00 0.00 C ATOM 662 C LEU A 41 -8.002 2.730 6.094 1.00 0.00 C ATOM 663 O LEU A 41 -6.781 2.605 6.111 1.00 0.00 O ATOM 664 CB LEU A 41 -9.262 4.793 5.421 1.00 0.00 C ATOM 665 CG LEU A 41 -8.370 5.594 6.376 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.535 5.084 7.798 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.913 5.522 5.942 1.00 0.00 C ATOM 0 H LEU A 41 -10.642 3.088 4.251 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.946 3.662 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.474 5.410 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.214 4.603 5.916 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.678 6.639 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.897 5.660 8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.575 5.193 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.252 4.032 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.298 6.098 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.584 4.483 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.812 5.934 4.938 1.00 0.00 H new ATOM 679 N ARG A 42 -8.779 2.179 7.015 1.00 0.00 N ATOM 680 CA ARG A 42 -8.193 1.384 8.090 1.00 0.00 C ATOM 681 C ARG A 42 -7.395 0.239 7.470 1.00 0.00 C ATOM 682 O ARG A 42 -6.299 -0.116 7.924 1.00 0.00 O ATOM 683 CB ARG A 42 -9.274 0.846 9.032 1.00 0.00 C ATOM 684 CG ARG A 42 -10.065 -0.319 8.459 1.00 0.00 C ATOM 685 CD ARG A 42 -11.507 -0.305 8.938 1.00 0.00 C ATOM 686 NE ARG A 42 -11.713 -1.183 10.085 1.00 0.00 N ATOM 687 CZ ARG A 42 -11.578 -2.504 10.034 1.00 0.00 C ATOM 688 NH1 ARG A 42 -11.235 -3.094 8.897 1.00 0.00 N ATOM 689 NH2 ARG A 42 -11.784 -3.236 11.120 1.00 0.00 N ATOM 0 H ARG A 42 -9.795 2.263 7.043 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.532 2.013 8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.806 0.531 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.963 1.654 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.042 -0.275 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.593 -1.258 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.790 0.713 9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.162 -0.614 8.123 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.975 -0.759 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.074 -2.534 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.132 -4.108 8.860 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.047 -2.785 11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.680 -4.250 11.079 1.00 0.00 H new ATOM 703 N GLU A 43 -7.923 -0.296 6.380 1.00 0.00 N ATOM 704 CA GLU A 43 -7.223 -1.321 5.651 1.00 0.00 C ATOM 705 C GLU A 43 -5.926 -0.738 5.116 1.00 0.00 C ATOM 706 O GLU A 43 -4.914 -1.420 5.044 1.00 0.00 O ATOM 707 CB GLU A 43 -8.082 -1.866 4.520 1.00 0.00 C ATOM 708 CG GLU A 43 -8.539 -3.295 4.754 1.00 0.00 C ATOM 709 CD GLU A 43 -10.033 -3.474 4.567 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.803 -2.658 5.117 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.434 -4.430 3.870 1.00 0.00 O ATOM 0 H GLU A 43 -8.828 -0.034 5.989 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.000 -2.155 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.956 -1.227 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.518 -1.819 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.010 -3.957 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.265 -3.598 5.765 1.00 0.00 H new ATOM 718 N THR A 44 -5.949 0.555 4.802 1.00 0.00 N ATOM 719 CA THR A 44 -4.738 1.246 4.385 1.00 0.00 C ATOM 720 C THR A 44 -3.727 1.171 5.510 1.00 0.00 C ATOM 721 O THR A 44 -2.522 1.116 5.275 1.00 0.00 O ATOM 722 CB THR A 44 -5.010 2.712 4.000 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.162 2.829 3.183 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.857 3.360 3.252 1.00 0.00 C ATOM 0 H THR A 44 -6.785 1.138 4.829 1.00 0.00 H new ATOM 0 HA THR A 44 -4.347 0.756 3.493 1.00 0.00 H new ATOM 0 HB THR A 44 -5.152 3.226 4.950 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.526 1.937 3.001 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.114 4.391 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.964 3.345 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.665 2.809 2.331 1.00 0.00 H new ATOM 732 N LYS A 45 -4.233 1.104 6.739 1.00 0.00 N ATOM 733 CA LYS A 45 -3.373 0.936 7.892 1.00 0.00 C ATOM 734 C LYS A 45 -2.565 -0.338 7.723 1.00 0.00 C ATOM 735 O LYS A 45 -1.339 -0.339 7.871 1.00 0.00 O ATOM 736 CB LYS A 45 -4.195 0.871 9.180 1.00 0.00 C ATOM 737 CG LYS A 45 -3.489 1.487 10.376 1.00 0.00 C ATOM 738 CD LYS A 45 -4.257 2.678 10.928 1.00 0.00 C ATOM 739 CE LYS A 45 -5.511 2.240 11.665 1.00 0.00 C ATOM 740 NZ LYS A 45 -5.214 1.810 13.060 1.00 0.00 N ATOM 0 H LYS A 45 -5.228 1.164 6.954 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.703 1.793 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.144 1.384 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.428 -0.170 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.372 0.735 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.487 1.803 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.616 3.244 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.529 3.347 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.227 3.062 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.982 1.419 11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.096 1.519 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.550 1.009 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.788 2.601 13.584 1.00 0.00 H new ATOM 754 N VAL A 46 -3.248 -1.421 7.351 1.00 0.00 N ATOM 755 CA VAL A 46 -2.542 -2.675 7.104 1.00 0.00 C ATOM 756 C VAL A 46 -1.845 -2.618 5.750 1.00 0.00 C ATOM 757 O VAL A 46 -0.699 -3.043 5.617 1.00 0.00 O ATOM 758 CB VAL A 46 -3.461 -3.912 7.178 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.675 -3.745 6.282 1.00 0.00 C ATOM 760 CG2 VAL A 46 -2.696 -5.178 6.820 1.00 0.00 C ATOM 0 H VAL A 46 -4.259 -1.456 7.218 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.805 -2.787 7.899 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.812 -4.006 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.305 -4.632 6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.243 -2.870 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.350 -3.614 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.365 -6.036 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.305 -5.092 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.870 -5.313 7.518 1.00 0.00 H new ATOM 770 N GLY A 47 -2.521 -2.025 4.766 1.00 0.00 N ATOM 771 CA GLY A 47 -1.925 -1.845 3.457 1.00 0.00 C ATOM 772 C GLY A 47 -0.592 -1.143 3.569 1.00 0.00 C ATOM 773 O GLY A 47 0.354 -1.458 2.847 1.00 0.00 O ATOM 0 H GLY A 47 -3.472 -1.667 4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.792 -2.814 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.595 -1.264 2.823 1.00 0.00 H new ATOM 777 N VAL A 48 -0.512 -0.217 4.519 1.00 0.00 N ATOM 778 CA VAL A 48 0.726 0.489 4.792 1.00 0.00 C ATOM 779 C VAL A 48 1.775 -0.495 5.296 1.00 0.00 C ATOM 780 O VAL A 48 2.891 -0.525 4.804 1.00 0.00 O ATOM 781 CB VAL A 48 0.526 1.612 5.833 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.865 2.195 6.265 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.377 2.701 5.277 1.00 0.00 C ATOM 0 H VAL A 48 -1.294 0.060 5.112 1.00 0.00 H new ATOM 0 HA VAL A 48 1.061 0.950 3.863 1.00 0.00 H new ATOM 0 HB VAL A 48 0.045 1.180 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.699 2.984 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.477 1.410 6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.379 2.609 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.506 3.483 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.075 3.126 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.348 2.275 5.026 1.00 0.00 H new ATOM 793 N GLU A 49 1.414 -1.313 6.275 1.00 0.00 N ATOM 794 CA GLU A 49 2.359 -2.292 6.799 1.00 0.00 C ATOM 795 C GLU A 49 2.926 -3.138 5.661 1.00 0.00 C ATOM 796 O GLU A 49 4.102 -3.508 5.666 1.00 0.00 O ATOM 797 CB GLU A 49 1.685 -3.186 7.844 1.00 0.00 C ATOM 798 CG GLU A 49 2.334 -3.112 9.217 1.00 0.00 C ATOM 799 CD GLU A 49 1.881 -1.904 10.013 1.00 0.00 C ATOM 800 OE1 GLU A 49 2.063 -0.769 9.525 1.00 0.00 O ATOM 801 OE2 GLU A 49 1.346 -2.093 11.126 1.00 0.00 O ATOM 0 H GLU A 49 0.494 -1.321 6.715 1.00 0.00 H new ATOM 0 HA GLU A 49 3.178 -1.759 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.636 -2.902 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.708 -4.219 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.099 -4.019 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.417 -3.080 9.101 1.00 0.00 H new ATOM 808 N VAL A 50 2.090 -3.406 4.669 1.00 0.00 N ATOM 809 CA VAL A 50 2.539 -4.107 3.471 1.00 0.00 C ATOM 810 C VAL A 50 3.395 -3.133 2.661 1.00 0.00 C ATOM 811 O VAL A 50 4.474 -3.473 2.185 1.00 0.00 O ATOM 812 CB VAL A 50 1.358 -4.663 2.613 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.672 -6.064 2.110 1.00 0.00 C ATOM 814 CG2 VAL A 50 0.051 -4.687 3.391 1.00 0.00 C ATOM 0 H VAL A 50 1.102 -3.151 4.667 1.00 0.00 H new ATOM 0 HA VAL A 50 3.118 -4.982 3.767 1.00 0.00 H new ATOM 0 HB VAL A 50 1.238 -3.989 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.837 -6.433 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.572 -6.037 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.833 -6.728 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.743 -5.081 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.162 -5.323 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.204 -3.675 3.705 1.00 0.00 H new ATOM 824 N ASN A 51 2.970 -1.874 2.654 1.00 0.00 N ATOM 825 CA ASN A 51 3.742 -0.795 2.044 1.00 0.00 C ATOM 826 C ASN A 51 5.114 -0.715 2.696 1.00 0.00 C ATOM 827 O ASN A 51 6.093 -0.314 2.070 1.00 0.00 O ATOM 828 CB ASN A 51 3.001 0.533 2.215 1.00 0.00 C ATOM 829 CG ASN A 51 3.537 1.629 1.336 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.109 1.370 0.281 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.342 2.868 1.771 1.00 0.00 N ATOM 0 H ASN A 51 2.087 -1.573 3.067 1.00 0.00 H new ATOM 0 HA ASN A 51 3.865 -0.997 0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.944 0.383 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.067 0.847 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.674 3.660 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.860 3.028 2.656 1.00 0.00 H new ATOM 838 N LYS A 52 5.159 -1.051 3.980 1.00 0.00 N ATOM 839 CA LYS A 52 6.398 -1.047 4.731 1.00 0.00 C ATOM 840 C LYS A 52 7.326 -2.139 4.219 1.00 0.00 C ATOM 841 O LYS A 52 8.542 -1.960 4.155 1.00 0.00 O ATOM 842 CB LYS A 52 6.119 -1.265 6.220 1.00 0.00 C ATOM 843 CG LYS A 52 6.130 0.017 7.036 1.00 0.00 C ATOM 844 CD LYS A 52 5.446 -0.173 8.380 1.00 0.00 C ATOM 845 CE LYS A 52 4.876 1.135 8.905 1.00 0.00 C ATOM 846 NZ LYS A 52 4.306 0.983 10.272 1.00 0.00 N ATOM 0 H LYS A 52 4.342 -1.331 4.522 1.00 0.00 H new ATOM 0 HA LYS A 52 6.878 -0.078 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.149 -1.749 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.865 -1.949 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.159 0.341 7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.628 0.808 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.646 -0.906 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.160 -0.575 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.660 1.892 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.101 1.492 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.036 1.917 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.466 0.370 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.017 0.555 10.899 1.00 0.00 H new ATOM 860 N PHE A 53 6.727 -3.274 3.851 1.00 0.00 N ATOM 861 CA PHE A 53 7.469 -4.459 3.407 1.00 0.00 C ATOM 862 C PHE A 53 8.790 -4.605 4.164 1.00 0.00 C ATOM 863 O PHE A 53 9.867 -4.600 3.568 1.00 0.00 O ATOM 864 CB PHE A 53 7.719 -4.470 1.892 1.00 0.00 C ATOM 865 CG PHE A 53 8.271 -3.198 1.325 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.638 -3.010 1.217 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.423 -2.232 0.814 1.00 0.00 C ATOM 868 CE1 PHE A 53 10.147 -1.854 0.662 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.926 -1.070 0.263 1.00 0.00 C ATOM 870 CZ PHE A 53 9.297 -0.888 0.185 1.00 0.00 C ATOM 0 H PHE A 53 5.715 -3.399 3.852 1.00 0.00 H new ATOM 0 HA PHE A 53 6.836 -5.316 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.409 -5.281 1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.780 -4.696 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.313 -3.776 1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.355 -2.388 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.216 -1.709 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.255 -0.308 -0.105 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.697 0.015 -0.252 1.00 0.00 H new ATOM 880 N LYS A 54 8.686 -4.719 5.483 1.00 0.00 N ATOM 881 CA LYS A 54 9.852 -4.834 6.348 1.00 0.00 C ATOM 882 C LYS A 54 10.697 -6.074 6.001 1.00 0.00 C ATOM 883 O LYS A 54 10.823 -6.430 4.829 1.00 0.00 O ATOM 884 CB LYS A 54 9.395 -4.860 7.809 1.00 0.00 C ATOM 885 CG LYS A 54 10.421 -4.285 8.776 1.00 0.00 C ATOM 886 CD LYS A 54 10.266 -2.781 8.934 1.00 0.00 C ATOM 887 CE LYS A 54 8.869 -2.405 9.397 1.00 0.00 C ATOM 888 NZ LYS A 54 8.844 -1.072 10.060 1.00 0.00 N ATOM 0 H LYS A 54 7.795 -4.734 5.980 1.00 0.00 H new ATOM 0 HA LYS A 54 10.494 -3.967 6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.466 -4.298 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.175 -5.889 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.314 -4.766 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.425 -4.511 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.999 -2.413 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.478 -2.292 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.193 -2.398 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.500 -3.162 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.876 -0.860 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.483 -1.080 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.156 -0.343 9.386 1.00 0.00 H new ATOM 902 N LYS A 55 11.303 -6.710 7.011 1.00 0.00 N ATOM 903 CA LYS A 55 12.172 -7.861 6.785 1.00 0.00 C ATOM 904 C LYS A 55 11.401 -9.063 6.242 1.00 0.00 C ATOM 905 O LYS A 55 11.518 -9.400 5.064 1.00 0.00 O ATOM 906 CB LYS A 55 12.888 -8.236 8.084 1.00 0.00 C ATOM 907 CG LYS A 55 13.597 -7.062 8.739 1.00 0.00 C ATOM 908 CD LYS A 55 14.812 -6.625 7.938 1.00 0.00 C ATOM 909 CE LYS A 55 14.556 -5.320 7.202 1.00 0.00 C ATOM 910 NZ LYS A 55 15.347 -5.225 5.944 1.00 0.00 N ATOM 0 H LYS A 55 11.205 -6.444 7.991 1.00 0.00 H new ATOM 0 HA LYS A 55 12.907 -7.578 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.163 -8.650 8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.615 -9.021 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.904 -6.226 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.905 -7.339 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.665 -6.506 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.075 -7.403 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.494 -5.237 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.807 -4.482 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.143 -4.320 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.361 -5.278 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.090 -6.010 5.312 1.00 0.00 H new ATOM 924 N SER A 56 10.633 -9.722 7.107 1.00 0.00 N ATOM 925 CA SER A 56 9.862 -10.890 6.698 1.00 0.00 C ATOM 926 C SER A 56 8.893 -10.525 5.589 1.00 0.00 C ATOM 927 O SER A 56 8.528 -11.364 4.764 1.00 0.00 O ATOM 928 CB SER A 56 9.089 -11.467 7.882 1.00 0.00 C ATOM 929 OG SER A 56 9.643 -11.040 9.114 1.00 0.00 O ATOM 0 H SER A 56 10.529 -9.468 8.089 1.00 0.00 H new ATOM 0 HA SER A 56 10.560 -11.642 6.330 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.045 -11.158 7.823 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.102 -12.556 7.832 1.00 0.00 H new ATOM 0 HG SER A 56 9.128 -11.423 9.855 1.00 0.00 H new ATOM 935 N THR A 57 8.461 -9.273 5.588 1.00 0.00 N ATOM 936 CA THR A 57 7.582 -8.781 4.549 1.00 0.00 C ATOM 937 C THR A 57 8.432 -8.233 3.419 1.00 0.00 C ATOM 938 O THR A 57 8.457 -7.035 3.151 1.00 0.00 O ATOM 939 CB THR A 57 6.643 -7.711 5.113 1.00 0.00 C ATOM 940 OG1 THR A 57 7.194 -7.123 6.278 1.00 0.00 O ATOM 941 CG2 THR A 57 5.275 -8.245 5.469 1.00 0.00 C ATOM 0 H THR A 57 8.707 -8.582 6.297 1.00 0.00 H new ATOM 0 HA THR A 57 6.959 -9.589 4.166 1.00 0.00 H new ATOM 0 HB THR A 57 6.531 -6.975 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.580 -6.441 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.660 -7.436 5.863 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.803 -8.659 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.374 -9.025 6.223 1.00 0.00 H new ATOM 949 N ASN A 58 9.128 -9.147 2.765 1.00 0.00 N ATOM 950 CA ASN A 58 10.053 -8.807 1.698 1.00 0.00 C ATOM 951 C ASN A 58 9.360 -8.059 0.571 1.00 0.00 C ATOM 952 O ASN A 58 8.143 -8.094 0.452 1.00 0.00 O ATOM 953 CB ASN A 58 10.704 -10.070 1.141 1.00 0.00 C ATOM 954 CG ASN A 58 12.187 -9.892 0.875 1.00 0.00 C ATOM 955 OD1 ASN A 58 12.583 -9.336 -0.149 1.00 0.00 O ATOM 956 ND2 ASN A 58 13.015 -10.366 1.799 1.00 0.00 N ATOM 0 H ASN A 58 9.068 -10.147 2.959 1.00 0.00 H new ATOM 0 HA ASN A 58 10.816 -8.155 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.561 -10.889 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.204 -10.354 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.023 -10.276 1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.642 -10.820 2.633 1.00 0.00 H new ATOM 963 N VAL A 59 10.155 -7.352 -0.230 1.00 0.00 N ATOM 964 CA VAL A 59 9.643 -6.582 -1.374 1.00 0.00 C ATOM 965 C VAL A 59 8.542 -7.327 -2.099 1.00 0.00 C ATOM 966 O VAL A 59 7.621 -6.719 -2.639 1.00 0.00 O ATOM 967 CB VAL A 59 10.742 -6.279 -2.408 1.00 0.00 C ATOM 968 CG1 VAL A 59 10.331 -5.114 -3.296 1.00 0.00 C ATOM 969 CG2 VAL A 59 12.072 -6.014 -1.734 1.00 0.00 C ATOM 0 H VAL A 59 11.166 -7.293 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 59 9.263 -5.652 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 59 10.867 -7.159 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.120 -4.913 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.410 -5.365 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.169 -4.228 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.828 -5.803 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.978 -5.157 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.369 -6.891 -1.159 1.00 0.00 H new ATOM 979 N GLU A 60 8.619 -8.650 -2.075 1.00 0.00 N ATOM 980 CA GLU A 60 7.584 -9.481 -2.696 1.00 0.00 C ATOM 981 C GLU A 60 6.211 -8.999 -2.234 1.00 0.00 C ATOM 982 O GLU A 60 5.226 -9.059 -2.970 1.00 0.00 O ATOM 983 CB GLU A 60 7.783 -10.951 -2.318 1.00 0.00 C ATOM 984 CG GLU A 60 7.428 -11.266 -0.874 1.00 0.00 C ATOM 985 CD GLU A 60 7.606 -12.733 -0.535 1.00 0.00 C ATOM 986 OE1 GLU A 60 7.720 -13.549 -1.474 1.00 0.00 O ATOM 987 OE2 GLU A 60 7.632 -13.065 0.669 1.00 0.00 O ATOM 0 H GLU A 60 9.378 -9.172 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 60 7.654 -9.395 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.174 -11.571 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.823 -11.224 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.052 -10.666 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.394 -10.977 -0.687 1.00 0.00 H new ATOM 994 N ILE A 61 6.203 -8.426 -1.036 1.00 0.00 N ATOM 995 CA ILE A 61 5.026 -7.825 -0.453 1.00 0.00 C ATOM 996 C ILE A 61 4.387 -6.853 -1.445 1.00 0.00 C ATOM 997 O ILE A 61 3.171 -6.717 -1.489 1.00 0.00 O ATOM 998 CB ILE A 61 5.418 -7.106 0.873 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.339 -8.056 2.077 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.561 -5.879 1.148 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.484 -9.531 1.754 1.00 0.00 C ATOM 0 H ILE A 61 7.029 -8.369 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 61 4.291 -8.597 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 61 6.449 -6.780 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.117 -7.779 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.382 -7.903 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.877 -5.417 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.677 -5.164 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.515 -6.176 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.414 -10.113 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.690 -9.834 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.452 -9.707 1.286 1.00 0.00 H new ATOM 1013 N SER A 62 5.211 -6.181 -2.246 1.00 0.00 N ATOM 1014 CA SER A 62 4.692 -5.229 -3.226 1.00 0.00 C ATOM 1015 C SER A 62 3.592 -5.877 -4.051 1.00 0.00 C ATOM 1016 O SER A 62 2.469 -5.377 -4.118 1.00 0.00 O ATOM 1017 CB SER A 62 5.813 -4.733 -4.140 1.00 0.00 C ATOM 1018 OG SER A 62 6.725 -3.913 -3.431 1.00 0.00 O ATOM 0 H SER A 62 6.227 -6.275 -2.237 1.00 0.00 H new ATOM 0 HA SER A 62 4.278 -4.374 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.342 -5.585 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.387 -4.173 -4.972 1.00 0.00 H new ATOM 0 HG SER A 62 7.362 -4.477 -2.945 1.00 0.00 H new ATOM 1024 N LYS A 63 3.889 -7.040 -4.606 1.00 0.00 N ATOM 1025 CA LYS A 63 2.895 -7.792 -5.330 1.00 0.00 C ATOM 1026 C LYS A 63 1.816 -8.267 -4.368 1.00 0.00 C ATOM 1027 O LYS A 63 0.648 -8.396 -4.734 1.00 0.00 O ATOM 1028 CB LYS A 63 3.550 -8.975 -6.020 1.00 0.00 C ATOM 1029 CG LYS A 63 3.175 -9.096 -7.480 1.00 0.00 C ATOM 1030 CD LYS A 63 4.123 -10.028 -8.209 1.00 0.00 C ATOM 1031 CE LYS A 63 3.452 -10.692 -9.400 1.00 0.00 C ATOM 1032 NZ LYS A 63 3.405 -12.173 -9.256 1.00 0.00 N ATOM 0 H LYS A 63 4.810 -7.478 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 63 2.436 -7.157 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.633 -8.882 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.268 -9.891 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.154 -9.468 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.196 -8.112 -7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.995 -9.468 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.483 -10.793 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.439 -10.305 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.991 -10.433 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.940 -12.588 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.373 -12.545 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.869 -12.422 -8.400 1.00 0.00 H new ATOM 1046 N LEU A 64 2.222 -8.498 -3.122 1.00 0.00 N ATOM 1047 CA LEU A 64 1.302 -8.926 -2.084 1.00 0.00 C ATOM 1048 C LEU A 64 0.259 -7.849 -1.816 1.00 0.00 C ATOM 1049 O LEU A 64 -0.931 -8.143 -1.705 1.00 0.00 O ATOM 1050 CB LEU A 64 2.063 -9.248 -0.800 1.00 0.00 C ATOM 1051 CG LEU A 64 1.311 -10.137 0.186 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.189 -11.289 0.647 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.831 -9.317 1.373 1.00 0.00 C ATOM 0 H LEU A 64 3.188 -8.394 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 64 0.793 -9.826 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.002 -9.735 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.318 -8.313 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 64 0.441 -10.557 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.634 -11.911 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.484 -11.889 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.079 -10.895 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.296 -9.963 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.688 -8.871 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.164 -8.528 1.025 1.00 0.00 H new ATOM 1065 N VAL A 65 0.705 -6.596 -1.711 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.222 -5.496 -1.502 1.00 0.00 C ATOM 1067 C VAL A 65 -1.210 -5.462 -2.654 1.00 0.00 C ATOM 1068 O VAL A 65 -2.393 -5.178 -2.467 1.00 0.00 O ATOM 1069 CB VAL A 65 0.471 -4.128 -1.332 1.00 0.00 C ATOM 1070 CG1 VAL A 65 1.109 -3.636 -2.622 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.524 -3.107 -0.817 1.00 0.00 C ATOM 0 H VAL A 65 1.687 -6.326 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.740 -5.677 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 65 1.275 -4.257 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.583 -2.670 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.859 -4.354 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.343 -3.531 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.028 -2.143 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.345 -3.008 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.915 -3.434 0.146 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.727 -5.832 -3.838 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.584 -5.923 -5.005 1.00 0.00 C ATOM 1083 C LYS A 66 -2.666 -6.966 -4.750 1.00 0.00 C ATOM 1084 O LYS A 66 -3.860 -6.695 -4.882 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.764 -6.281 -6.244 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.404 -5.836 -7.544 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.770 -4.554 -8.042 1.00 0.00 C ATOM 1088 CE LYS A 66 0.452 -4.835 -8.899 1.00 0.00 C ATOM 1089 NZ LYS A 66 0.097 -5.551 -10.154 1.00 0.00 N ATOM 0 H LYS A 66 0.250 -6.072 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.055 -4.957 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.223 -5.826 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.616 -7.361 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.294 -6.618 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.473 -5.685 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.499 -3.987 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.485 -3.933 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.947 -3.895 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.165 -5.432 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.818 -5.360 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.053 -6.574 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.829 -5.220 -10.492 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.244 -8.142 -4.300 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.189 -9.179 -3.915 1.00 0.00 C ATOM 1105 C LYS A 67 -4.106 -8.624 -2.835 1.00 0.00 C ATOM 1106 O LYS A 67 -5.312 -8.886 -2.816 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.450 -10.413 -3.397 1.00 0.00 C ATOM 1108 CG LYS A 67 -1.883 -11.290 -4.500 1.00 0.00 C ATOM 1109 CD LYS A 67 -2.850 -12.399 -4.881 1.00 0.00 C ATOM 1110 CE LYS A 67 -2.993 -13.420 -3.765 1.00 0.00 C ATOM 1111 NZ LYS A 67 -3.041 -14.813 -4.290 1.00 0.00 N ATOM 0 H LYS A 67 -1.262 -8.398 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.776 -9.478 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.637 -10.092 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.132 -11.006 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.664 -10.679 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.939 -11.725 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.825 -11.970 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.499 -12.894 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.156 -13.321 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.901 -13.214 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.139 -15.479 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.854 -14.915 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.164 -15.019 -4.809 1.00 0.00 H new ATOM 1125 N MET A 68 -3.519 -7.805 -1.967 1.00 0.00 N ATOM 1126 CA MET A 68 -4.265 -7.136 -0.918 1.00 0.00 C ATOM 1127 C MET A 68 -5.363 -6.284 -1.542 1.00 0.00 C ATOM 1128 O MET A 68 -6.435 -6.128 -0.967 1.00 0.00 O ATOM 1129 CB MET A 68 -3.324 -6.268 -0.070 1.00 0.00 C ATOM 1130 CG MET A 68 -3.476 -6.416 1.445 1.00 0.00 C ATOM 1131 SD MET A 68 -5.169 -6.738 1.989 1.00 0.00 S ATOM 1132 CE MET A 68 -4.928 -6.933 3.753 1.00 0.00 C ATOM 0 H MET A 68 -2.522 -7.591 -1.974 1.00 0.00 H new ATOM 0 HA MET A 68 -4.721 -7.881 -0.266 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.295 -6.508 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.487 -5.223 -0.333 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.835 -7.229 1.786 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.118 -5.506 1.926 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.886 -7.137 4.231 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.246 -7.763 3.937 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.505 -6.017 4.166 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.094 -5.755 -2.739 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.088 -4.968 -3.463 1.00 0.00 C ATOM 1144 C ILE A 69 -7.317 -5.809 -3.742 1.00 0.00 C ATOM 1145 O ILE A 69 -8.447 -5.383 -3.505 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.556 -4.437 -4.810 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.265 -3.646 -4.619 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.613 -3.579 -5.491 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.659 -3.185 -5.927 1.00 0.00 C ATOM 0 H ILE A 69 -4.202 -5.858 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.331 -4.118 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.332 -5.292 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.466 -2.778 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.542 -4.264 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.226 -3.210 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.506 -4.177 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.865 -2.735 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.743 -2.628 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.429 -4.052 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.368 -2.543 -6.450 1.00 0.00 H new ATOM 1161 N SER A 70 -7.088 -7.013 -4.246 1.00 0.00 N ATOM 1162 CA SER A 70 -8.183 -7.919 -4.557 1.00 0.00 C ATOM 1163 C SER A 70 -9.106 -8.070 -3.351 1.00 0.00 C ATOM 1164 O SER A 70 -10.323 -7.925 -3.466 1.00 0.00 O ATOM 1165 CB SER A 70 -7.642 -9.285 -4.979 1.00 0.00 C ATOM 1166 OG SER A 70 -6.982 -9.208 -6.230 1.00 0.00 O ATOM 0 H SER A 70 -6.159 -7.383 -4.447 1.00 0.00 H new ATOM 0 HA SER A 70 -8.754 -7.498 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.951 -9.656 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.462 -10.001 -5.040 1.00 0.00 H new ATOM 0 HG SER A 70 -6.644 -10.094 -6.477 1.00 0.00 H new ATOM 1172 N SER A 71 -8.515 -8.350 -2.193 1.00 0.00 N ATOM 1173 CA SER A 71 -9.283 -8.500 -0.961 1.00 0.00 C ATOM 1174 C SER A 71 -9.683 -7.142 -0.385 1.00 0.00 C ATOM 1175 O SER A 71 -10.661 -7.040 0.356 1.00 0.00 O ATOM 1176 CB SER A 71 -8.474 -9.286 0.074 1.00 0.00 C ATOM 1177 OG SER A 71 -8.113 -10.564 -0.421 1.00 0.00 O ATOM 0 H SER A 71 -7.509 -8.477 -2.082 1.00 0.00 H new ATOM 0 HA SER A 71 -10.194 -9.049 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.575 -8.728 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.058 -9.399 0.987 1.00 0.00 H new ATOM 0 HG SER A 71 -7.596 -11.044 0.259 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.918 -6.105 -0.717 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.190 -4.763 -0.207 1.00 0.00 C ATOM 1185 C TRP A 72 -10.619 -4.350 -0.511 1.00 0.00 C ATOM 1186 O TRP A 72 -11.372 -3.962 0.383 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.232 -3.747 -0.833 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.920 -3.641 -0.124 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.612 -4.157 1.096 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.746 -2.958 -0.581 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.315 -3.849 1.427 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.763 -3.112 0.414 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.431 -2.229 -1.733 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.487 -2.568 0.290 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.161 -1.697 -1.856 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.207 -1.864 -0.848 1.00 0.00 C ATOM 0 H TRP A 72 -8.108 -6.167 -1.334 1.00 0.00 H new ATOM 0 HA TRP A 72 -9.045 -4.783 0.873 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.052 -4.023 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.710 -2.768 -0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.289 -4.727 1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.841 -4.124 2.287 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.166 -2.085 -2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.746 -2.698 1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.901 -1.143 -2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.227 -1.427 -0.971 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.988 -4.447 -1.779 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.328 -4.101 -2.213 1.00 0.00 C ATOM 1209 C LYS A 73 -13.312 -5.184 -1.799 1.00 0.00 C ATOM 1210 O LYS A 73 -14.472 -4.903 -1.499 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.350 -3.885 -3.723 1.00 0.00 C ATOM 1212 CG LYS A 73 -11.485 -2.714 -4.161 1.00 0.00 C ATOM 1213 CD LYS A 73 -11.762 -2.329 -5.604 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.040 -1.517 -5.728 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.231 -2.384 -5.944 1.00 0.00 N ATOM 0 H LYS A 73 -10.372 -4.765 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.630 -3.171 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.006 -4.792 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.377 -3.714 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.673 -1.858 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.433 -2.975 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.924 -1.752 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.841 -3.229 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.182 -0.924 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.946 -0.817 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.871 -1.931 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.926 -3.307 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.729 -2.521 -5.041 1.00 0.00 H new ATOM 1229 N ASP A 74 -12.830 -6.422 -1.755 1.00 0.00 N ATOM 1230 CA ASP A 74 -13.653 -7.540 -1.319 1.00 0.00 C ATOM 1231 C ASP A 74 -14.250 -7.237 0.051 1.00 0.00 C ATOM 1232 O ASP A 74 -15.384 -7.613 0.349 1.00 0.00 O ATOM 1233 CB ASP A 74 -12.824 -8.824 -1.260 1.00 0.00 C ATOM 1234 CG ASP A 74 -13.612 -10.042 -1.703 1.00 0.00 C ATOM 1235 OD1 ASP A 74 -14.809 -10.131 -1.361 1.00 0.00 O ATOM 1236 OD2 ASP A 74 -13.031 -10.906 -2.393 1.00 0.00 O ATOM 0 H ASP A 74 -11.877 -6.674 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.460 -7.684 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.944 -8.714 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.467 -8.976 -0.241 1.00 0.00 H new ATOM 1241 N ALA A 75 -13.473 -6.537 0.874 1.00 0.00 N ATOM 1242 CA ALA A 75 -13.915 -6.145 2.207 1.00 0.00 C ATOM 1243 C ALA A 75 -14.959 -5.043 2.137 1.00 0.00 C ATOM 1244 O ALA A 75 -15.868 -4.984 2.965 1.00 0.00 O ATOM 1245 CB ALA A 75 -12.728 -5.699 3.048 1.00 0.00 C ATOM 0 H ALA A 75 -12.530 -6.229 0.638 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.374 -7.013 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.074 -5.409 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.016 -6.520 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.243 -4.848 2.570 1.00 0.00 H new ATOM 1251 N ILE A 76 -14.826 -4.168 1.148 1.00 0.00 N ATOM 1252 CA ILE A 76 -15.762 -3.071 0.988 1.00 0.00 C ATOM 1253 C ILE A 76 -17.088 -3.563 0.417 1.00 0.00 C ATOM 1254 O ILE A 76 -18.156 -3.078 0.791 1.00 0.00 O ATOM 1255 CB ILE A 76 -15.200 -1.968 0.068 1.00 0.00 C ATOM 1256 CG1 ILE A 76 -13.752 -1.630 0.435 1.00 0.00 C ATOM 1257 CG2 ILE A 76 -16.070 -0.725 0.149 1.00 0.00 C ATOM 1258 CD1 ILE A 76 -13.080 -0.707 -0.558 1.00 0.00 C ATOM 0 H ILE A 76 -14.083 -4.199 0.450 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.924 -2.652 1.981 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.210 -2.341 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.734 -1.166 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.178 -2.554 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.664 0.047 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.084 -0.970 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.087 -0.359 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.057 -0.509 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.067 -1.178 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.631 0.232 -0.613 1.00 0.00 H new ATOM 1270 N ASN A 77 -17.012 -4.527 -0.496 1.00 0.00 N ATOM 1271 CA ASN A 77 -18.206 -5.083 -1.122 1.00 0.00 C ATOM 1272 C ASN A 77 -19.185 -5.595 -0.071 1.00 0.00 C ATOM 1273 O ASN A 77 -20.162 -4.876 0.227 1.00 0.00 O ATOM 1274 CB ASN A 77 -17.826 -6.216 -2.075 1.00 0.00 C ATOM 1275 CG ASN A 77 -18.983 -6.640 -2.959 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -19.764 -5.808 -3.419 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -19.098 -7.942 -3.199 1.00 0.00 N ATOM 1278 OXT ASN A 77 -18.968 -6.712 0.444 1.00 0.00 O ATOM 0 H ASN A 77 -16.136 -4.939 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.692 -4.288 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.992 -5.897 -2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.481 -7.073 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -19.857 -8.287 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.427 -8.596 -2.796 1.00 0.00 H new TER 1285 ASN A 77