USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 165:sc= 0.0862 (180deg=0) USER MOD Set 1.3: A 88 SER OG : rot 180:sc= 0.249 USER MOD Set 2.1: A 27 TYR OH : rot 14:sc= 1 USER MOD Set 2.2: A 70 HIS : no HE2:sc= 1.03 K(o=2,f=-3.7!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 12 ASN : amide:sc= -0.97 K(o=-0.4,f=-8!) USER MOD Set 4.2: A 15 SER OG : rot -50:sc=-0.00758 USER MOD Set 4.3: A 78 LYS NZ :NH3+ 167:sc= 0.578 (180deg=0) USER MOD Set 5.1: A 2 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.13) USER MOD Set 5.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.417 K(o=0.42,f=-0.4) USER MOD Single : A 14 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.3 K(o=1.3,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 1.13 (180deg=0.781) USER MOD Single : A 42 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.27) USER MOD Single : A 43 THR OG1 : rot -100:sc= -0.297 USER MOD Single : A 44 GLN : amide:sc= 0.0619 X(o=0.062,f=-0.0089) USER MOD Single : A 46 ASN : amide:sc= 0.994 K(o=0.99,f=-0.39) USER MOD Single : A 53 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.11) USER MOD Single : A 55 SER OG : rot 156:sc= 1.3 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00873 USER MOD Single : A 61 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.17) USER MOD Single : A 64 GLN : amide:sc= 0.0958 X(o=0.096,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.641 F(o=-1.7!,f=-0.64) USER MOD Single : A 74 THR OG1 : rot 64:sc= 0.143 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.328 18.500 -3.360 1.00 22.33 N ATOM 2 CA GLY A 1 8.284 17.411 -3.143 1.00 32.05 C ATOM 3 C GLY A 1 7.650 16.294 -2.338 1.00 61.40 C ATOM 4 O GLY A 1 7.096 16.554 -1.270 1.00 74.03 O ATOM 0 H1 GLY A 1 7.781 19.255 -3.913 1.00 22.33 H new ATOM 0 H2 GLY A 1 6.502 18.139 -3.879 1.00 22.33 H new ATOM 0 H3 GLY A 1 7.021 18.880 -2.442 1.00 22.33 H new ATOM 0 HA2 GLY A 1 8.627 17.025 -4.103 1.00 32.05 H new ATOM 0 HA3 GLY A 1 9.162 17.790 -2.620 1.00 32.05 H new ATOM 8 N HIS A 2 7.736 15.042 -2.798 1.00 13.42 N ATOM 9 CA HIS A 2 7.320 13.876 -2.026 1.00 72.02 C ATOM 10 C HIS A 2 8.306 12.741 -2.284 1.00 72.02 C ATOM 11 O HIS A 2 7.999 11.737 -2.927 1.00 60.31 O ATOM 12 CB HIS A 2 5.850 13.506 -2.288 1.00 4.42 C ATOM 13 CG HIS A 2 5.489 13.108 -3.700 1.00 43.50 C ATOM 14 ND1 HIS A 2 5.184 13.967 -4.732 1.00 75.21 N ATOM 15 CD2 HIS A 2 5.301 11.827 -4.151 1.00 34.11 C ATOM 16 CE1 HIS A 2 4.807 13.219 -5.781 1.00 34.33 C ATOM 17 NE2 HIS A 2 4.855 11.909 -5.475 1.00 24.43 N ATOM 0 H HIS A 2 8.099 14.812 -3.723 1.00 13.42 H new ATOM 0 HA HIS A 2 7.350 14.103 -0.960 1.00 72.02 H new ATOM 0 HB2 HIS A 2 5.583 12.683 -1.624 1.00 4.42 H new ATOM 0 HB3 HIS A 2 5.230 14.357 -2.006 1.00 4.42 H new ATOM 0 HD2 HIS A 2 5.467 10.921 -3.588 1.00 34.11 H new ATOM 0 HE1 HIS A 2 4.506 13.614 -6.740 1.00 34.33 H new ATOM 0 HE2 HIS A 2 4.614 11.130 -6.087 1.00 24.43 H new ATOM 25 N MET A 3 9.528 12.909 -1.782 1.00 62.03 N ATOM 26 CA MET A 3 10.475 11.810 -1.749 1.00 4.54 C ATOM 27 C MET A 3 9.841 10.686 -0.941 1.00 72.23 C ATOM 28 O MET A 3 9.406 10.918 0.188 1.00 51.14 O ATOM 29 CB MET A 3 11.804 12.251 -1.126 1.00 71.12 C ATOM 30 CG MET A 3 12.555 13.179 -2.076 1.00 11.31 C ATOM 31 SD MET A 3 13.999 13.978 -1.348 1.00 24.03 S ATOM 32 CE MET A 3 14.375 15.106 -2.715 1.00 60.24 C ATOM 0 H MET A 3 9.877 13.787 -1.398 1.00 62.03 H new ATOM 0 HA MET A 3 10.698 11.471 -2.760 1.00 4.54 H new ATOM 0 HB2 MET A 3 11.618 12.761 -0.181 1.00 71.12 H new ATOM 0 HB3 MET A 3 12.416 11.377 -0.902 1.00 71.12 H new ATOM 0 HG2 MET A 3 12.872 12.607 -2.948 1.00 11.31 H new ATOM 0 HG3 MET A 3 11.869 13.948 -2.431 1.00 11.31 H new ATOM 0 HE1 MET A 3 15.251 15.703 -2.463 1.00 60.24 H new ATOM 0 HE2 MET A 3 14.576 14.529 -3.618 1.00 60.24 H new ATOM 0 HE3 MET A 3 13.524 15.765 -2.887 1.00 60.24 H new ATOM 42 N ASP A 4 9.833 9.495 -1.529 1.00 42.43 N ATOM 43 CA ASP A 4 9.593 8.217 -0.892 1.00 35.41 C ATOM 44 C ASP A 4 8.122 8.002 -0.566 1.00 2.42 C ATOM 45 O ASP A 4 7.581 8.437 0.451 1.00 61.41 O ATOM 46 CB ASP A 4 10.556 7.982 0.272 1.00 53.21 C ATOM 47 CG ASP A 4 11.927 7.669 -0.311 1.00 63.00 C ATOM 48 OD1 ASP A 4 12.641 8.640 -0.658 1.00 14.54 O ATOM 49 OD2 ASP A 4 12.229 6.480 -0.532 1.00 40.20 O ATOM 0 H ASP A 4 10.006 9.396 -2.529 1.00 42.43 H new ATOM 0 HA ASP A 4 9.822 7.429 -1.610 1.00 35.41 H new ATOM 0 HB2 ASP A 4 10.605 8.864 0.910 1.00 53.21 H new ATOM 0 HB3 ASP A 4 10.209 7.157 0.894 1.00 53.21 H new ATOM 54 N THR A 5 7.441 7.332 -1.488 1.00 40.34 N ATOM 55 CA THR A 5 6.092 6.825 -1.335 1.00 21.12 C ATOM 56 C THR A 5 6.044 5.499 -2.102 1.00 74.14 C ATOM 57 O THR A 5 6.659 5.368 -3.166 1.00 0.24 O ATOM 58 CB THR A 5 5.100 7.866 -1.881 1.00 21.15 C ATOM 59 OG1 THR A 5 5.300 9.120 -1.248 1.00 31.41 O ATOM 60 CG2 THR A 5 3.631 7.481 -1.685 1.00 11.51 C ATOM 0 H THR A 5 7.837 7.120 -2.404 1.00 40.34 H new ATOM 0 HA THR A 5 5.816 6.650 -0.295 1.00 21.12 H new ATOM 0 HB THR A 5 5.300 7.917 -2.951 1.00 21.15 H new ATOM 0 HG1 THR A 5 4.663 9.773 -1.607 1.00 31.41 H new ATOM 0 HG21 THR A 5 2.992 8.263 -2.095 1.00 11.51 H new ATOM 0 HG22 THR A 5 3.429 6.541 -2.199 1.00 11.51 H new ATOM 0 HG23 THR A 5 3.424 7.364 -0.621 1.00 11.51 H new ATOM 68 N ILE A 6 5.314 4.517 -1.578 1.00 20.01 N ATOM 69 CA ILE A 6 5.061 3.234 -2.236 1.00 40.54 C ATOM 70 C ILE A 6 3.557 3.240 -2.477 1.00 54.44 C ATOM 71 O ILE A 6 2.815 3.434 -1.507 1.00 0.05 O ATOM 72 CB ILE A 6 5.527 2.052 -1.346 1.00 0.34 C ATOM 73 CG1 ILE A 6 7.000 2.223 -0.912 1.00 61.03 C ATOM 74 CG2 ILE A 6 5.296 0.680 -2.006 1.00 0.15 C ATOM 75 CD1 ILE A 6 7.482 1.106 0.012 1.00 2.42 C ATOM 0 H ILE A 6 4.871 4.592 -0.662 1.00 20.01 H new ATOM 0 HA ILE A 6 5.614 3.107 -3.167 1.00 40.54 H new ATOM 0 HB ILE A 6 4.904 2.075 -0.452 1.00 0.34 H new ATOM 0 HG12 ILE A 6 7.633 2.253 -1.799 1.00 61.03 H new ATOM 0 HG13 ILE A 6 7.115 3.181 -0.406 1.00 61.03 H new ATOM 0 HG21 ILE A 6 5.641 -0.108 -1.337 1.00 0.15 H new ATOM 0 HG22 ILE A 6 4.233 0.547 -2.206 1.00 0.15 H new ATOM 0 HG23 ILE A 6 5.850 0.629 -2.943 1.00 0.15 H new ATOM 0 HD11 ILE A 6 8.523 1.281 0.282 1.00 2.42 H new ATOM 0 HD12 ILE A 6 6.870 1.091 0.914 1.00 2.42 H new ATOM 0 HD13 ILE A 6 7.397 0.148 -0.500 1.00 2.42 H new ATOM 87 N ILE A 7 3.084 3.125 -3.726 1.00 1.25 N ATOM 88 CA ILE A 7 1.643 3.073 -3.960 1.00 42.44 C ATOM 89 C ILE A 7 1.302 1.583 -4.115 1.00 33.20 C ATOM 90 O ILE A 7 2.131 0.789 -4.565 1.00 63.35 O ATOM 91 CB ILE A 7 1.226 4.034 -5.112 1.00 62.53 C ATOM 92 CG1 ILE A 7 1.855 5.428 -4.912 1.00 40.20 C ATOM 93 CG2 ILE A 7 -0.305 4.128 -5.247 1.00 12.01 C ATOM 94 CD1 ILE A 7 1.537 6.424 -6.028 1.00 15.41 C ATOM 0 H ILE A 7 3.662 3.068 -4.564 1.00 1.25 H new ATOM 0 HA ILE A 7 1.042 3.457 -3.136 1.00 42.44 H new ATOM 0 HB ILE A 7 1.606 3.619 -6.045 1.00 62.53 H new ATOM 0 HG12 ILE A 7 1.508 5.839 -3.964 1.00 40.20 H new ATOM 0 HG13 ILE A 7 2.937 5.319 -4.835 1.00 40.20 H new ATOM 0 HG21 ILE A 7 -0.557 4.808 -6.061 1.00 12.01 H new ATOM 0 HG22 ILE A 7 -0.713 3.140 -5.460 1.00 12.01 H new ATOM 0 HG23 ILE A 7 -0.730 4.503 -4.316 1.00 12.01 H new ATOM 0 HD11 ILE A 7 2.016 7.379 -5.811 1.00 15.41 H new ATOM 0 HD12 ILE A 7 1.909 6.038 -6.977 1.00 15.41 H new ATOM 0 HD13 ILE A 7 0.458 6.566 -6.092 1.00 15.41 H new ATOM 106 N LEU A 8 0.107 1.190 -3.678 1.00 15.41 N ATOM 107 CA LEU A 8 -0.456 -0.139 -3.865 1.00 4.33 C ATOM 108 C LEU A 8 -1.641 -0.001 -4.796 1.00 23.10 C ATOM 109 O LEU A 8 -2.345 1.009 -4.753 1.00 1.11 O ATOM 110 CB LEU A 8 -0.954 -0.766 -2.553 1.00 51.25 C ATOM 111 CG LEU A 8 0.093 -1.544 -1.750 1.00 60.42 C ATOM 112 CD1 LEU A 8 1.295 -0.691 -1.336 1.00 32.24 C ATOM 113 CD2 LEU A 8 -0.634 -2.116 -0.527 1.00 20.42 C ATOM 0 H LEU A 8 -0.516 1.814 -3.165 1.00 15.41 H new ATOM 0 HA LEU A 8 0.326 -0.786 -4.263 1.00 4.33 H new ATOM 0 HB2 LEU A 8 -1.354 0.027 -1.921 1.00 51.25 H new ATOM 0 HB3 LEU A 8 -1.781 -1.437 -2.783 1.00 51.25 H new ATOM 0 HG LEU A 8 0.518 -2.333 -2.370 1.00 60.42 H new ATOM 0 HD11 LEU A 8 1.998 -1.303 -0.771 1.00 32.24 H new ATOM 0 HD12 LEU A 8 1.788 -0.301 -2.226 1.00 32.24 H new ATOM 0 HD13 LEU A 8 0.956 0.139 -0.716 1.00 32.24 H new ATOM 0 HD21 LEU A 8 0.070 -2.683 0.083 1.00 20.42 H new ATOM 0 HD22 LEU A 8 -1.050 -1.300 0.063 1.00 20.42 H new ATOM 0 HD23 LEU A 8 -1.439 -2.773 -0.857 1.00 20.42 H new ATOM 125 N ARG A 9 -1.918 -1.050 -5.565 1.00 20.52 N ATOM 126 CA ARG A 9 -2.991 -1.085 -6.560 1.00 0.40 C ATOM 127 C ARG A 9 -3.760 -2.389 -6.419 1.00 45.03 C ATOM 128 O ARG A 9 -3.312 -3.305 -5.722 1.00 52.33 O ATOM 129 CB ARG A 9 -2.400 -0.991 -7.976 1.00 24.31 C ATOM 130 CG ARG A 9 -1.552 0.250 -8.267 1.00 1.22 C ATOM 131 CD ARG A 9 -0.599 -0.028 -9.438 1.00 53.51 C ATOM 132 NE ARG A 9 -1.272 0.120 -10.731 1.00 75.24 N ATOM 133 CZ ARG A 9 -0.650 0.313 -11.896 1.00 20.10 C ATOM 134 NH1 ARG A 9 0.676 0.242 -12.006 1.00 33.34 N ATOM 135 NH2 ARG A 9 -1.371 0.625 -12.957 1.00 63.35 N ATOM 0 H ARG A 9 -1.391 -1.922 -5.514 1.00 20.52 H new ATOM 0 HA ARG A 9 -3.660 -0.240 -6.397 1.00 0.40 H new ATOM 0 HB2 ARG A 9 -1.787 -1.875 -8.152 1.00 24.31 H new ATOM 0 HB3 ARG A 9 -3.220 -1.023 -8.694 1.00 24.31 H new ATOM 0 HG2 ARG A 9 -2.198 1.094 -8.506 1.00 1.22 H new ATOM 0 HG3 ARG A 9 -0.981 0.527 -7.381 1.00 1.22 H new ATOM 0 HD2 ARG A 9 0.248 0.656 -9.388 1.00 53.51 H new ATOM 0 HD3 ARG A 9 -0.199 -1.038 -9.350 1.00 53.51 H new ATOM 0 HE ARG A 9 -2.291 0.072 -10.742 1.00 75.24 H new ATOM 0 HH11 ARG A 9 1.245 0.035 -11.185 1.00 33.34 H new ATOM 0 HH12 ARG A 9 1.122 0.395 -12.911 1.00 33.34 H new ATOM 0 HH21 ARG A 9 -2.384 0.714 -12.877 1.00 63.35 H new ATOM 0 HH22 ARG A 9 -0.915 0.777 -13.857 1.00 63.35 H new ATOM 149 N ASN A 10 -4.889 -2.478 -7.121 1.00 70.14 N ATOM 150 CA ASN A 10 -5.788 -3.628 -7.170 1.00 41.44 C ATOM 151 C ASN A 10 -6.486 -3.874 -5.828 1.00 42.41 C ATOM 152 O ASN A 10 -7.019 -4.958 -5.600 1.00 53.34 O ATOM 153 CB ASN A 10 -5.075 -4.884 -7.720 1.00 32.42 C ATOM 154 CG ASN A 10 -6.072 -5.964 -8.134 1.00 51.15 C ATOM 155 OD1 ASN A 10 -6.932 -5.711 -8.970 1.00 62.44 O ATOM 156 ND2 ASN A 10 -6.017 -7.147 -7.546 1.00 44.43 N ATOM 0 H ASN A 10 -5.218 -1.707 -7.702 1.00 70.14 H new ATOM 0 HA ASN A 10 -6.582 -3.390 -7.877 1.00 41.44 H new ATOM 0 HB2 ASN A 10 -4.461 -4.608 -8.577 1.00 32.42 H new ATOM 0 HB3 ASN A 10 -4.402 -5.282 -6.961 1.00 32.42 H new ATOM 0 HD21 ASN A 10 -6.698 -7.868 -7.786 1.00 44.43 H new ATOM 0 HD22 ASN A 10 -5.294 -7.339 -6.853 1.00 44.43 H new ATOM 163 N LEU A 11 -6.520 -2.909 -4.900 1.00 65.14 N ATOM 164 CA LEU A 11 -7.319 -3.049 -3.703 1.00 21.42 C ATOM 165 C LEU A 11 -8.772 -3.102 -4.144 1.00 13.13 C ATOM 166 O LEU A 11 -9.227 -2.298 -4.956 1.00 2.10 O ATOM 167 CB LEU A 11 -7.113 -1.857 -2.758 1.00 51.15 C ATOM 168 CG LEU A 11 -5.691 -1.547 -2.261 1.00 3.31 C ATOM 169 CD1 LEU A 11 -5.162 -2.599 -1.293 1.00 11.03 C ATOM 170 CD2 LEU A 11 -4.639 -1.298 -3.327 1.00 74.43 C ATOM 0 H LEU A 11 -6.002 -2.032 -4.965 1.00 65.14 H new ATOM 0 HA LEU A 11 -7.029 -3.950 -3.163 1.00 21.42 H new ATOM 0 HB2 LEU A 11 -7.489 -0.967 -3.262 1.00 51.15 H new ATOM 0 HB3 LEU A 11 -7.742 -2.017 -1.882 1.00 51.15 H new ATOM 0 HG LEU A 11 -5.842 -0.596 -1.751 1.00 3.31 H new ATOM 0 HD11 LEU A 11 -4.155 -2.328 -0.976 1.00 11.03 H new ATOM 0 HD12 LEU A 11 -5.815 -2.653 -0.422 1.00 11.03 H new ATOM 0 HD13 LEU A 11 -5.137 -3.570 -1.788 1.00 11.03 H new ATOM 0 HD21 LEU A 11 -3.681 -1.091 -2.851 1.00 74.43 H new ATOM 0 HD22 LEU A 11 -4.547 -2.180 -3.960 1.00 74.43 H new ATOM 0 HD23 LEU A 11 -4.934 -0.444 -3.936 1.00 74.43 H new ATOM 182 N ASN A 12 -9.491 -4.060 -3.590 1.00 45.04 N ATOM 183 CA ASN A 12 -10.926 -4.169 -3.691 1.00 33.52 C ATOM 184 C ASN A 12 -11.573 -3.037 -2.899 1.00 41.34 C ATOM 185 O ASN A 12 -10.969 -2.532 -1.942 1.00 75.11 O ATOM 186 CB ASN A 12 -11.358 -5.538 -3.145 1.00 2.12 C ATOM 187 CG ASN A 12 -10.903 -5.877 -1.740 1.00 14.33 C ATOM 188 OD1 ASN A 12 -9.729 -5.751 -1.401 1.00 33.22 O ATOM 189 ND2 ASN A 12 -11.772 -6.436 -0.937 1.00 25.42 N ATOM 0 H ASN A 12 -9.072 -4.809 -3.038 1.00 45.04 H new ATOM 0 HA ASN A 12 -11.244 -4.088 -4.730 1.00 33.52 H new ATOM 0 HB2 ASN A 12 -12.446 -5.589 -3.173 1.00 2.12 H new ATOM 0 HB3 ASN A 12 -10.985 -6.308 -3.820 1.00 2.12 H new ATOM 0 HD21 ASN A 12 -11.477 -6.772 -0.020 1.00 25.42 H new ATOM 0 HD22 ASN A 12 -12.745 -6.536 -1.228 1.00 25.42 H new ATOM 196 N PRO A 13 -12.823 -2.685 -3.231 1.00 2.02 N ATOM 197 CA PRO A 13 -13.577 -1.678 -2.506 1.00 63.53 C ATOM 198 C PRO A 13 -13.753 -2.068 -1.038 1.00 44.31 C ATOM 199 O PRO A 13 -13.703 -1.191 -0.179 1.00 75.11 O ATOM 200 CB PRO A 13 -14.911 -1.549 -3.251 1.00 63.55 C ATOM 201 CG PRO A 13 -15.024 -2.791 -4.123 1.00 53.44 C ATOM 202 CD PRO A 13 -13.581 -3.183 -4.368 1.00 24.52 C ATOM 0 HA PRO A 13 -13.060 -0.719 -2.478 1.00 63.53 H new ATOM 0 HB2 PRO A 13 -15.744 -1.486 -2.551 1.00 63.55 H new ATOM 0 HB3 PRO A 13 -14.934 -0.643 -3.857 1.00 63.55 H new ATOM 0 HG2 PRO A 13 -15.576 -3.585 -3.621 1.00 53.44 H new ATOM 0 HG3 PRO A 13 -15.547 -2.580 -5.056 1.00 53.44 H new ATOM 0 HD2 PRO A 13 -13.482 -4.265 -4.457 1.00 24.52 H new ATOM 0 HD3 PRO A 13 -13.214 -2.751 -5.299 1.00 24.52 H new ATOM 210 N HIS A 14 -13.913 -3.368 -0.759 1.00 12.24 N ATOM 211 CA HIS A 14 -14.130 -3.907 0.582 1.00 22.11 C ATOM 212 C HIS A 14 -12.851 -3.970 1.426 1.00 24.42 C ATOM 213 O HIS A 14 -12.952 -4.201 2.631 1.00 61.22 O ATOM 214 CB HIS A 14 -14.776 -5.302 0.498 1.00 31.53 C ATOM 215 CG HIS A 14 -16.189 -5.337 -0.035 1.00 4.04 C ATOM 216 ND1 HIS A 14 -16.959 -6.469 -0.201 1.00 41.32 N ATOM 217 CD2 HIS A 14 -16.935 -4.270 -0.457 1.00 43.32 C ATOM 218 CE1 HIS A 14 -18.143 -6.085 -0.710 1.00 5.12 C ATOM 219 NE2 HIS A 14 -18.172 -4.755 -0.881 1.00 65.31 N ATOM 0 H HIS A 14 -13.894 -4.089 -1.480 1.00 12.24 H new ATOM 0 HA HIS A 14 -14.804 -3.215 1.087 1.00 22.11 H new ATOM 0 HB2 HIS A 14 -14.153 -5.934 -0.135 1.00 31.53 H new ATOM 0 HB3 HIS A 14 -14.772 -5.745 1.494 1.00 31.53 H new ATOM 0 HD2 HIS A 14 -16.622 -3.236 -0.461 1.00 43.32 H new ATOM 0 HE1 HIS A 14 -18.957 -6.754 -0.948 1.00 5.12 H new ATOM 0 HE2 HIS A 14 -18.948 -4.205 -1.250 1.00 65.31 H new ATOM 227 N SER A 15 -11.653 -3.826 0.838 1.00 42.21 N ATOM 228 CA SER A 15 -10.419 -3.922 1.611 1.00 73.51 C ATOM 229 C SER A 15 -10.441 -2.902 2.742 1.00 74.22 C ATOM 230 O SER A 15 -11.087 -1.858 2.629 1.00 22.50 O ATOM 231 CB SER A 15 -9.184 -3.657 0.737 1.00 34.54 C ATOM 232 OG SER A 15 -8.180 -4.643 0.888 1.00 4.13 O ATOM 0 H SER A 15 -11.520 -3.645 -0.157 1.00 42.21 H new ATOM 0 HA SER A 15 -10.356 -4.935 2.008 1.00 73.51 H new ATOM 0 HB2 SER A 15 -9.488 -3.613 -0.309 1.00 34.54 H new ATOM 0 HB3 SER A 15 -8.769 -2.681 0.990 1.00 34.54 H new ATOM 0 HG SER A 15 -7.996 -4.780 1.841 1.00 4.13 H new ATOM 238 N THR A 16 -9.645 -3.139 3.771 1.00 42.12 N ATOM 239 CA THR A 16 -9.357 -2.154 4.788 1.00 43.22 C ATOM 240 C THR A 16 -7.911 -2.364 5.205 1.00 51.34 C ATOM 241 O THR A 16 -7.368 -3.461 5.067 1.00 14.30 O ATOM 242 CB THR A 16 -10.376 -2.274 5.931 1.00 53.12 C ATOM 243 OG1 THR A 16 -10.097 -1.328 6.937 1.00 71.41 O ATOM 244 CG2 THR A 16 -10.428 -3.657 6.580 1.00 43.13 C ATOM 0 H THR A 16 -9.177 -4.033 3.921 1.00 42.12 H new ATOM 0 HA THR A 16 -9.458 -1.130 4.429 1.00 43.22 H new ATOM 0 HB THR A 16 -11.346 -2.092 5.468 1.00 53.12 H new ATOM 0 HG1 THR A 16 -10.755 -1.414 7.658 1.00 71.41 H new ATOM 0 HG21 THR A 16 -11.172 -3.657 7.377 1.00 43.13 H new ATOM 0 HG22 THR A 16 -10.699 -4.401 5.831 1.00 43.13 H new ATOM 0 HG23 THR A 16 -9.450 -3.901 6.996 1.00 43.13 H new ATOM 252 N MET A 17 -7.273 -1.316 5.712 1.00 73.55 N ATOM 253 CA MET A 17 -5.863 -1.295 6.015 1.00 32.44 C ATOM 254 C MET A 17 -5.575 -2.266 7.131 1.00 11.03 C ATOM 255 O MET A 17 -4.482 -2.786 7.177 1.00 62.31 O ATOM 256 CB MET A 17 -5.442 0.096 6.461 1.00 72.34 C ATOM 257 CG MET A 17 -6.041 0.550 7.797 1.00 24.10 C ATOM 258 SD MET A 17 -6.526 2.284 7.878 1.00 1.44 S ATOM 259 CE MET A 17 -8.045 2.247 6.891 1.00 55.21 C ATOM 0 H MET A 17 -7.743 -0.437 5.927 1.00 73.55 H new ATOM 0 HA MET A 17 -5.309 -1.574 5.119 1.00 32.44 H new ATOM 0 HB2 MET A 17 -4.355 0.125 6.538 1.00 72.34 H new ATOM 0 HB3 MET A 17 -5.726 0.811 5.689 1.00 72.34 H new ATOM 0 HG2 MET A 17 -6.915 -0.065 8.011 1.00 24.10 H new ATOM 0 HG3 MET A 17 -5.314 0.356 8.586 1.00 24.10 H new ATOM 0 HE1 MET A 17 -8.472 3.249 6.843 1.00 55.21 H new ATOM 0 HE2 MET A 17 -7.816 1.902 5.883 1.00 55.21 H new ATOM 0 HE3 MET A 17 -8.762 1.568 7.352 1.00 55.21 H new ATOM 269 N ASP A 18 -6.533 -2.506 8.021 1.00 74.24 N ATOM 270 CA ASP A 18 -6.359 -3.393 9.154 1.00 71.31 C ATOM 271 C ASP A 18 -6.280 -4.841 8.676 1.00 60.45 C ATOM 272 O ASP A 18 -5.542 -5.657 9.218 1.00 52.14 O ATOM 273 CB ASP A 18 -7.556 -3.182 10.074 1.00 54.25 C ATOM 274 CG ASP A 18 -7.285 -3.785 11.440 1.00 64.34 C ATOM 275 OD1 ASP A 18 -6.824 -3.025 12.321 1.00 0.22 O ATOM 276 OD2 ASP A 18 -7.512 -4.996 11.638 1.00 34.50 O ATOM 0 H ASP A 18 -7.460 -2.083 7.971 1.00 74.24 H new ATOM 0 HA ASP A 18 -5.433 -3.178 9.687 1.00 71.31 H new ATOM 0 HB2 ASP A 18 -7.763 -2.116 10.174 1.00 54.25 H new ATOM 0 HB3 ASP A 18 -8.444 -3.639 9.637 1.00 54.25 H new ATOM 281 N SER A 19 -7.012 -5.135 7.603 1.00 41.43 N ATOM 282 CA SER A 19 -7.079 -6.437 6.967 1.00 13.24 C ATOM 283 C SER A 19 -5.832 -6.624 6.103 1.00 43.32 C ATOM 284 O SER A 19 -5.140 -7.632 6.223 1.00 11.30 O ATOM 285 CB SER A 19 -8.405 -6.485 6.201 1.00 10.11 C ATOM 286 OG SER A 19 -8.588 -7.644 5.424 1.00 10.41 O ATOM 0 H SER A 19 -7.596 -4.440 7.139 1.00 41.43 H new ATOM 0 HA SER A 19 -7.075 -7.271 7.669 1.00 13.24 H new ATOM 0 HB2 SER A 19 -9.225 -6.408 6.915 1.00 10.11 H new ATOM 0 HB3 SER A 19 -8.466 -5.613 5.550 1.00 10.11 H new ATOM 0 HG SER A 19 -9.455 -7.600 4.969 1.00 10.41 H new ATOM 292 N ILE A 20 -5.490 -5.624 5.282 1.00 21.43 N ATOM 293 CA ILE A 20 -4.239 -5.593 4.535 1.00 54.23 C ATOM 294 C ILE A 20 -3.068 -5.748 5.509 1.00 62.13 C ATOM 295 O ILE A 20 -2.188 -6.560 5.253 1.00 42.14 O ATOM 296 CB ILE A 20 -4.141 -4.329 3.653 1.00 53.32 C ATOM 297 CG1 ILE A 20 -5.341 -4.189 2.687 1.00 35.13 C ATOM 298 CG2 ILE A 20 -2.845 -4.322 2.826 1.00 11.00 C ATOM 299 CD1 ILE A 20 -5.588 -2.734 2.291 1.00 4.23 C ATOM 0 H ILE A 20 -6.082 -4.810 5.120 1.00 21.43 H new ATOM 0 HA ILE A 20 -4.203 -6.431 3.839 1.00 54.23 H new ATOM 0 HB ILE A 20 -4.145 -3.485 4.343 1.00 53.32 H new ATOM 0 HG12 ILE A 20 -5.157 -4.783 1.791 1.00 35.13 H new ATOM 0 HG13 ILE A 20 -6.236 -4.594 3.159 1.00 35.13 H new ATOM 0 HG21 ILE A 20 -2.807 -3.419 2.216 1.00 11.00 H new ATOM 0 HG22 ILE A 20 -1.986 -4.344 3.496 1.00 11.00 H new ATOM 0 HG23 ILE A 20 -2.822 -5.198 2.178 1.00 11.00 H new ATOM 0 HD11 ILE A 20 -6.439 -2.681 1.612 1.00 4.23 H new ATOM 0 HD12 ILE A 20 -5.798 -2.145 3.183 1.00 4.23 H new ATOM 0 HD13 ILE A 20 -4.703 -2.337 1.794 1.00 4.23 H new ATOM 311 N LEU A 21 -3.058 -5.030 6.635 1.00 0.01 N ATOM 312 CA LEU A 21 -1.992 -5.168 7.638 1.00 31.42 C ATOM 313 C LEU A 21 -1.912 -6.581 8.234 1.00 21.50 C ATOM 314 O LEU A 21 -0.864 -6.941 8.761 1.00 25.13 O ATOM 315 CB LEU A 21 -2.155 -4.144 8.781 1.00 74.52 C ATOM 316 CG LEU A 21 -1.692 -2.708 8.453 1.00 43.02 C ATOM 317 CD1 LEU A 21 -2.210 -1.756 9.542 1.00 42.44 C ATOM 318 CD2 LEU A 21 -0.163 -2.607 8.332 1.00 43.04 C ATOM 0 H LEU A 21 -3.775 -4.346 6.878 1.00 0.01 H new ATOM 0 HA LEU A 21 -1.062 -4.974 7.104 1.00 31.42 H new ATOM 0 HB2 LEU A 21 -3.205 -4.112 9.071 1.00 74.52 H new ATOM 0 HB3 LEU A 21 -1.596 -4.499 9.647 1.00 74.52 H new ATOM 0 HG LEU A 21 -2.104 -2.426 7.484 1.00 43.02 H new ATOM 0 HD11 LEU A 21 -1.888 -0.739 9.319 1.00 42.44 H new ATOM 0 HD12 LEU A 21 -3.299 -1.794 9.570 1.00 42.44 H new ATOM 0 HD13 LEU A 21 -1.811 -2.059 10.510 1.00 42.44 H new ATOM 0 HD21 LEU A 21 0.117 -1.579 8.101 1.00 43.04 H new ATOM 0 HD22 LEU A 21 0.297 -2.905 9.274 1.00 43.04 H new ATOM 0 HD23 LEU A 21 0.183 -3.265 7.535 1.00 43.04 H new ATOM 330 N GLY A 22 -2.974 -7.385 8.148 1.00 71.43 N ATOM 331 CA GLY A 22 -3.018 -8.733 8.699 1.00 5.33 C ATOM 332 C GLY A 22 -2.567 -9.817 7.723 1.00 73.43 C ATOM 333 O GLY A 22 -2.304 -10.943 8.155 1.00 70.52 O ATOM 0 H GLY A 22 -3.840 -7.109 7.685 1.00 71.43 H new ATOM 0 HA2 GLY A 22 -2.387 -8.772 9.587 1.00 5.33 H new ATOM 0 HA3 GLY A 22 -4.036 -8.950 9.022 1.00 5.33 H new ATOM 337 N ALA A 23 -2.475 -9.524 6.421 1.00 71.11 N ATOM 338 CA ALA A 23 -2.090 -10.512 5.409 1.00 3.31 C ATOM 339 C ALA A 23 -1.209 -9.942 4.297 1.00 51.23 C ATOM 340 O ALA A 23 -0.951 -10.619 3.304 1.00 41.03 O ATOM 341 CB ALA A 23 -3.368 -11.061 4.791 1.00 34.42 C ATOM 0 H ALA A 23 -2.665 -8.597 6.041 1.00 71.11 H new ATOM 0 HA ALA A 23 -1.500 -11.282 5.906 1.00 3.31 H new ATOM 0 HB1 ALA A 23 -3.116 -11.801 4.031 1.00 34.42 H new ATOM 0 HB2 ALA A 23 -3.975 -11.529 5.566 1.00 34.42 H new ATOM 0 HB3 ALA A 23 -3.929 -10.247 4.332 1.00 34.42 H new ATOM 347 N LEU A 24 -0.675 -8.740 4.484 1.00 65.13 N ATOM 348 CA LEU A 24 0.331 -8.140 3.629 1.00 43.14 C ATOM 349 C LEU A 24 1.498 -7.645 4.494 1.00 53.41 C ATOM 350 O LEU A 24 2.188 -6.682 4.139 1.00 74.21 O ATOM 351 CB LEU A 24 -0.297 -7.029 2.767 1.00 43.42 C ATOM 352 CG LEU A 24 0.495 -6.723 1.480 1.00 61.41 C ATOM 353 CD1 LEU A 24 0.368 -7.846 0.443 1.00 10.44 C ATOM 354 CD2 LEU A 24 -0.034 -5.428 0.861 1.00 74.41 C ATOM 0 H LEU A 24 -0.943 -8.139 5.264 1.00 65.13 H new ATOM 0 HA LEU A 24 0.731 -8.878 2.934 1.00 43.14 H new ATOM 0 HB2 LEU A 24 -1.312 -7.320 2.498 1.00 43.42 H new ATOM 0 HB3 LEU A 24 -0.373 -6.119 3.362 1.00 43.42 H new ATOM 0 HG LEU A 24 1.546 -6.629 1.754 1.00 61.41 H new ATOM 0 HD11 LEU A 24 0.942 -7.587 -0.446 1.00 10.44 H new ATOM 0 HD12 LEU A 24 0.752 -8.775 0.864 1.00 10.44 H new ATOM 0 HD13 LEU A 24 -0.680 -7.975 0.173 1.00 10.44 H new ATOM 0 HD21 LEU A 24 0.522 -5.206 -0.050 1.00 74.41 H new ATOM 0 HD22 LEU A 24 -1.091 -5.545 0.621 1.00 74.41 H new ATOM 0 HD23 LEU A 24 0.089 -4.609 1.570 1.00 74.41 H new ATOM 366 N ALA A 25 1.746 -8.294 5.636 1.00 3.21 N ATOM 367 CA ALA A 25 2.859 -7.994 6.530 1.00 24.54 C ATOM 368 C ALA A 25 3.889 -9.157 6.632 1.00 43.15 C ATOM 369 O ALA A 25 4.319 -9.495 7.738 1.00 22.53 O ATOM 370 CB ALA A 25 2.190 -7.708 7.875 1.00 3.10 C ATOM 0 H ALA A 25 1.161 -9.061 5.969 1.00 3.21 H new ATOM 0 HA ALA A 25 3.450 -7.154 6.165 1.00 24.54 H new ATOM 0 HB1 ALA A 25 2.952 -7.470 8.617 1.00 3.10 H new ATOM 0 HB2 ALA A 25 1.509 -6.863 7.770 1.00 3.10 H new ATOM 0 HB3 ALA A 25 1.631 -8.586 8.197 1.00 3.10 H new ATOM 376 N PRO A 26 4.426 -9.689 5.511 1.00 31.53 N ATOM 377 CA PRO A 26 5.498 -10.683 5.537 1.00 53.32 C ATOM 378 C PRO A 26 6.891 -10.110 5.815 1.00 31.24 C ATOM 379 O PRO A 26 7.766 -10.883 6.207 1.00 5.42 O ATOM 380 CB PRO A 26 5.491 -11.343 4.153 1.00 74.25 C ATOM 381 CG PRO A 26 4.877 -10.282 3.251 1.00 41.11 C ATOM 382 CD PRO A 26 3.877 -9.612 4.170 1.00 52.31 C ATOM 0 HA PRO A 26 5.307 -11.375 6.357 1.00 53.32 H new ATOM 0 HB2 PRO A 26 6.498 -11.609 3.831 1.00 74.25 H new ATOM 0 HB3 PRO A 26 4.903 -12.261 4.150 1.00 74.25 H new ATOM 0 HG2 PRO A 26 5.625 -9.579 2.883 1.00 41.11 H new ATOM 0 HG3 PRO A 26 4.395 -10.721 2.377 1.00 41.11 H new ATOM 0 HD2 PRO A 26 3.716 -8.575 3.877 1.00 52.31 H new ATOM 0 HD3 PRO A 26 2.909 -10.111 4.119 1.00 52.31 H new ATOM 390 N TYR A 27 7.138 -8.813 5.587 1.00 5.13 N ATOM 391 CA TYR A 27 8.477 -8.222 5.720 1.00 64.15 C ATOM 392 C TYR A 27 8.384 -6.904 6.488 1.00 50.24 C ATOM 393 O TYR A 27 8.996 -6.763 7.544 1.00 71.14 O ATOM 394 CB TYR A 27 9.170 -8.045 4.347 1.00 51.23 C ATOM 395 CG TYR A 27 8.810 -9.066 3.281 1.00 61.32 C ATOM 396 CD1 TYR A 27 9.261 -10.398 3.358 1.00 41.24 C ATOM 397 CD2 TYR A 27 7.961 -8.682 2.231 1.00 31.04 C ATOM 398 CE1 TYR A 27 8.807 -11.355 2.429 1.00 62.41 C ATOM 399 CE2 TYR A 27 7.517 -9.626 1.291 1.00 64.45 C ATOM 400 CZ TYR A 27 7.907 -10.974 1.408 1.00 74.03 C ATOM 401 OH TYR A 27 7.351 -11.882 0.565 1.00 71.22 O ATOM 0 H TYR A 27 6.419 -8.146 5.306 1.00 5.13 H new ATOM 0 HA TYR A 27 9.104 -8.909 6.288 1.00 64.15 H new ATOM 0 HB2 TYR A 27 8.930 -7.052 3.967 1.00 51.23 H new ATOM 0 HB3 TYR A 27 10.249 -8.075 4.501 1.00 51.23 H new ATOM 0 HD1 TYR A 27 9.957 -10.687 4.132 1.00 41.24 H new ATOM 0 HD2 TYR A 27 7.647 -7.652 2.145 1.00 31.04 H new ATOM 0 HE1 TYR A 27 9.146 -12.378 2.497 1.00 62.41 H new ATOM 0 HE2 TYR A 27 6.876 -9.318 0.478 1.00 64.45 H new ATOM 0 HH TYR A 27 7.491 -12.785 0.919 1.00 71.22 H new ATOM 411 N ALA A 28 7.591 -5.954 5.977 1.00 2.04 N ATOM 412 CA ALA A 28 7.328 -4.675 6.626 1.00 24.52 C ATOM 413 C ALA A 28 5.906 -4.662 7.161 1.00 33.30 C ATOM 414 O ALA A 28 5.013 -5.285 6.579 1.00 42.15 O ATOM 415 CB ALA A 28 7.521 -3.538 5.627 1.00 60.04 C ATOM 0 H ALA A 28 7.108 -6.060 5.085 1.00 2.04 H new ATOM 0 HA ALA A 28 8.024 -4.538 7.454 1.00 24.52 H new ATOM 0 HB1 ALA A 28 7.323 -2.585 6.118 1.00 60.04 H new ATOM 0 HB2 ALA A 28 8.546 -3.549 5.256 1.00 60.04 H new ATOM 0 HB3 ALA A 28 6.832 -3.666 4.792 1.00 60.04 H new ATOM 421 N VAL A 29 5.683 -3.927 8.244 1.00 75.25 N ATOM 422 CA VAL A 29 4.440 -3.897 8.987 1.00 35.11 C ATOM 423 C VAL A 29 4.260 -2.459 9.472 1.00 75.21 C ATOM 424 O VAL A 29 4.943 -2.021 10.399 1.00 73.12 O ATOM 425 CB VAL A 29 4.474 -4.917 10.147 1.00 75.21 C ATOM 426 CG1 VAL A 29 3.032 -5.155 10.597 1.00 11.14 C ATOM 427 CG2 VAL A 29 5.132 -6.263 9.791 1.00 63.22 C ATOM 0 H VAL A 29 6.395 -3.313 8.640 1.00 75.25 H new ATOM 0 HA VAL A 29 3.591 -4.187 8.368 1.00 35.11 H new ATOM 0 HB VAL A 29 5.092 -4.492 10.938 1.00 75.21 H new ATOM 0 HG11 VAL A 29 3.021 -5.873 11.417 1.00 11.14 H new ATOM 0 HG12 VAL A 29 2.595 -4.214 10.932 1.00 11.14 H new ATOM 0 HG13 VAL A 29 2.451 -5.548 9.763 1.00 11.14 H new ATOM 0 HG21 VAL A 29 5.113 -6.919 10.662 1.00 63.22 H new ATOM 0 HG22 VAL A 29 4.584 -6.731 8.973 1.00 63.22 H new ATOM 0 HG23 VAL A 29 6.165 -6.094 9.486 1.00 63.22 H new ATOM 437 N LEU A 30 3.403 -1.698 8.790 1.00 53.41 N ATOM 438 CA LEU A 30 3.277 -0.265 9.058 1.00 1.32 C ATOM 439 C LEU A 30 2.563 0.021 10.381 1.00 14.42 C ATOM 440 O LEU A 30 1.799 -0.808 10.881 1.00 71.23 O ATOM 441 CB LEU A 30 2.524 0.466 7.941 1.00 43.35 C ATOM 442 CG LEU A 30 3.163 0.512 6.544 1.00 54.45 C ATOM 443 CD1 LEU A 30 4.674 0.766 6.568 1.00 63.52 C ATOM 444 CD2 LEU A 30 2.836 -0.733 5.719 1.00 31.30 C ATOM 0 H LEU A 30 2.790 -2.047 8.053 1.00 53.41 H new ATOM 0 HA LEU A 30 4.301 0.105 9.114 1.00 1.32 H new ATOM 0 HB2 LEU A 30 1.542 0.003 7.843 1.00 43.35 H new ATOM 0 HB3 LEU A 30 2.361 1.493 8.266 1.00 43.35 H new ATOM 0 HG LEU A 30 2.710 1.374 6.055 1.00 54.45 H new ATOM 0 HD11 LEU A 30 5.056 0.785 5.547 1.00 63.52 H new ATOM 0 HD12 LEU A 30 4.874 1.724 7.049 1.00 63.52 H new ATOM 0 HD13 LEU A 30 5.168 -0.030 7.125 1.00 63.52 H new ATOM 0 HD21 LEU A 30 3.309 -0.655 4.740 1.00 31.30 H new ATOM 0 HD22 LEU A 30 3.209 -1.619 6.233 1.00 31.30 H new ATOM 0 HD23 LEU A 30 1.756 -0.814 5.595 1.00 31.30 H new ATOM 456 N SER A 31 2.694 1.251 10.884 1.00 62.24 N ATOM 457 CA SER A 31 2.092 1.725 12.133 1.00 63.12 C ATOM 458 C SER A 31 0.705 2.331 11.921 1.00 32.42 C ATOM 459 O SER A 31 0.305 3.256 12.622 1.00 72.54 O ATOM 460 CB SER A 31 3.046 2.717 12.801 1.00 64.51 C ATOM 461 OG SER A 31 4.207 2.012 13.189 1.00 33.52 O ATOM 0 H SER A 31 3.243 1.971 10.415 1.00 62.24 H new ATOM 0 HA SER A 31 1.941 0.869 12.791 1.00 63.12 H new ATOM 0 HB2 SER A 31 3.302 3.523 12.113 1.00 64.51 H new ATOM 0 HB3 SER A 31 2.572 3.177 13.668 1.00 64.51 H new ATOM 0 HG SER A 31 4.836 2.629 13.619 1.00 33.52 H new ATOM 467 N SER A 32 -0.047 1.808 10.954 1.00 22.23 N ATOM 468 CA SER A 32 -1.385 2.240 10.589 1.00 71.13 C ATOM 469 C SER A 32 -1.390 3.639 9.947 1.00 60.12 C ATOM 470 O SER A 32 -1.766 3.742 8.776 1.00 3.11 O ATOM 471 CB SER A 32 -2.368 2.024 11.757 1.00 55.24 C ATOM 472 OG SER A 32 -3.670 1.703 11.287 1.00 14.34 O ATOM 0 H SER A 32 0.282 1.033 10.378 1.00 22.23 H new ATOM 0 HA SER A 32 -1.764 1.603 9.790 1.00 71.13 H new ATOM 0 HB2 SER A 32 -2.003 1.222 12.398 1.00 55.24 H new ATOM 0 HB3 SER A 32 -2.412 2.925 12.369 1.00 55.24 H new ATOM 0 HG SER A 32 -4.270 1.570 12.050 1.00 14.34 H new ATOM 478 N SER A 33 -0.969 4.706 10.635 1.00 64.20 N ATOM 479 CA SER A 33 -0.992 6.077 10.124 1.00 0.23 C ATOM 480 C SER A 33 -0.215 6.214 8.808 1.00 14.43 C ATOM 481 O SER A 33 -0.658 6.955 7.925 1.00 71.42 O ATOM 482 CB SER A 33 -0.433 7.042 11.173 1.00 41.33 C ATOM 483 OG SER A 33 -0.645 8.389 10.798 1.00 73.22 O ATOM 0 H SER A 33 -0.596 4.637 11.582 1.00 64.20 H new ATOM 0 HA SER A 33 -2.031 6.332 9.917 1.00 0.23 H new ATOM 0 HB2 SER A 33 -0.908 6.851 12.135 1.00 41.33 H new ATOM 0 HB3 SER A 33 0.634 6.862 11.303 1.00 41.33 H new ATOM 0 HG SER A 33 -0.279 8.982 11.487 1.00 73.22 H new ATOM 489 N ASN A 34 0.883 5.465 8.632 1.00 41.44 N ATOM 490 CA ASN A 34 1.691 5.455 7.406 1.00 40.32 C ATOM 491 C ASN A 34 0.864 5.190 6.152 1.00 15.22 C ATOM 492 O ASN A 34 1.312 5.513 5.057 1.00 14.14 O ATOM 493 CB ASN A 34 2.724 4.322 7.449 1.00 40.13 C ATOM 494 CG ASN A 34 3.710 4.442 8.584 1.00 71.44 C ATOM 495 OD1 ASN A 34 3.539 3.778 9.599 1.00 35.22 O ATOM 496 ND2 ASN A 34 4.728 5.264 8.430 1.00 54.44 N ATOM 0 H ASN A 34 1.240 4.837 9.352 1.00 41.44 H new ATOM 0 HA ASN A 34 2.148 6.443 7.361 1.00 40.32 H new ATOM 0 HB2 ASN A 34 2.201 3.369 7.533 1.00 40.13 H new ATOM 0 HB3 ASN A 34 3.270 4.304 6.506 1.00 40.13 H new ATOM 0 HD21 ASN A 34 5.417 5.368 9.175 1.00 54.44 H new ATOM 0 HD22 ASN A 34 4.828 5.796 7.565 1.00 54.44 H new ATOM 503 N VAL A 35 -0.288 4.531 6.274 1.00 63.24 N ATOM 504 CA VAL A 35 -1.074 4.102 5.135 1.00 61.43 C ATOM 505 C VAL A 35 -2.204 5.104 4.900 1.00 41.02 C ATOM 506 O VAL A 35 -2.957 5.464 5.806 1.00 54.41 O ATOM 507 CB VAL A 35 -1.559 2.659 5.356 1.00 40.11 C ATOM 508 CG1 VAL A 35 -2.296 2.129 4.119 1.00 24.21 C ATOM 509 CG2 VAL A 35 -0.367 1.720 5.635 1.00 75.53 C ATOM 0 H VAL A 35 -0.698 4.282 7.174 1.00 63.24 H new ATOM 0 HA VAL A 35 -0.474 4.086 4.225 1.00 61.43 H new ATOM 0 HB VAL A 35 -2.235 2.677 6.211 1.00 40.11 H new ATOM 0 HG11 VAL A 35 -2.628 1.107 4.303 1.00 24.21 H new ATOM 0 HG12 VAL A 35 -3.161 2.760 3.913 1.00 24.21 H new ATOM 0 HG13 VAL A 35 -1.624 2.143 3.261 1.00 24.21 H new ATOM 0 HG21 VAL A 35 -0.732 0.704 5.788 1.00 75.53 H new ATOM 0 HG22 VAL A 35 0.315 1.736 4.785 1.00 75.53 H new ATOM 0 HG23 VAL A 35 0.159 2.055 6.529 1.00 75.53 H new ATOM 519 N ARG A 36 -2.383 5.498 3.643 1.00 4.35 N ATOM 520 CA ARG A 36 -3.460 6.338 3.143 1.00 13.22 C ATOM 521 C ARG A 36 -4.334 5.471 2.244 1.00 22.11 C ATOM 522 O ARG A 36 -4.091 5.380 1.041 1.00 61.52 O ATOM 523 CB ARG A 36 -2.844 7.583 2.453 1.00 42.00 C ATOM 524 CG ARG A 36 -2.923 8.847 3.328 1.00 4.03 C ATOM 525 CD ARG A 36 -4.182 9.665 3.005 1.00 0.34 C ATOM 526 NE ARG A 36 -4.757 10.296 4.200 1.00 55.42 N ATOM 527 CZ ARG A 36 -5.891 11.002 4.229 1.00 34.12 C ATOM 528 NH1 ARG A 36 -6.444 11.453 3.109 1.00 15.12 N ATOM 529 NH2 ARG A 36 -6.465 11.250 5.395 1.00 14.41 N ATOM 0 H ARG A 36 -1.739 5.221 2.903 1.00 4.35 H new ATOM 0 HA ARG A 36 -4.103 6.730 3.931 1.00 13.22 H new ATOM 0 HB2 ARG A 36 -1.801 7.379 2.209 1.00 42.00 H new ATOM 0 HB3 ARG A 36 -3.362 7.765 1.511 1.00 42.00 H new ATOM 0 HG2 ARG A 36 -2.929 8.565 4.381 1.00 4.03 H new ATOM 0 HG3 ARG A 36 -2.036 9.460 3.168 1.00 4.03 H new ATOM 0 HD2 ARG A 36 -3.935 10.434 2.273 1.00 0.34 H new ATOM 0 HD3 ARG A 36 -4.927 9.015 2.545 1.00 0.34 H new ATOM 0 HE ARG A 36 -4.250 10.187 5.078 1.00 55.42 H new ATOM 0 HH11 ARG A 36 -6.003 11.262 2.209 1.00 15.12 H new ATOM 0 HH12 ARG A 36 -7.310 11.991 3.148 1.00 15.12 H new ATOM 0 HH21 ARG A 36 -6.042 10.904 6.256 1.00 14.41 H new ATOM 0 HH22 ARG A 36 -7.331 11.788 5.433 1.00 14.41 H new ATOM 543 N VAL A 37 -5.312 4.774 2.822 1.00 64.34 N ATOM 544 CA VAL A 37 -6.446 4.220 2.094 1.00 73.22 C ATOM 545 C VAL A 37 -7.457 5.358 2.021 1.00 34.10 C ATOM 546 O VAL A 37 -8.100 5.670 3.022 1.00 41.44 O ATOM 547 CB VAL A 37 -7.031 2.975 2.806 1.00 0.23 C ATOM 548 CG1 VAL A 37 -8.152 2.333 1.971 1.00 4.42 C ATOM 549 CG2 VAL A 37 -5.950 1.918 3.059 1.00 21.31 C ATOM 0 H VAL A 37 -5.336 4.577 3.823 1.00 64.34 H new ATOM 0 HA VAL A 37 -6.160 3.868 1.103 1.00 73.22 H new ATOM 0 HB VAL A 37 -7.434 3.320 3.758 1.00 0.23 H new ATOM 0 HG11 VAL A 37 -8.543 1.462 2.496 1.00 4.42 H new ATOM 0 HG12 VAL A 37 -8.954 3.056 1.821 1.00 4.42 H new ATOM 0 HG13 VAL A 37 -7.755 2.026 1.004 1.00 4.42 H new ATOM 0 HG21 VAL A 37 -6.393 1.057 3.560 1.00 21.31 H new ATOM 0 HG22 VAL A 37 -5.520 1.603 2.108 1.00 21.31 H new ATOM 0 HG23 VAL A 37 -5.168 2.341 3.689 1.00 21.31 H new ATOM 559 N ILE A 38 -7.574 6.032 0.878 1.00 1.04 N ATOM 560 CA ILE A 38 -8.674 6.970 0.669 1.00 23.24 C ATOM 561 C ILE A 38 -9.916 6.108 0.409 1.00 11.30 C ATOM 562 O ILE A 38 -9.859 5.218 -0.447 1.00 74.12 O ATOM 563 CB ILE A 38 -8.389 7.919 -0.518 1.00 63.43 C ATOM 564 CG1 ILE A 38 -7.018 8.630 -0.433 1.00 11.44 C ATOM 565 CG2 ILE A 38 -9.520 8.964 -0.612 1.00 32.41 C ATOM 566 CD1 ILE A 38 -6.654 9.344 -1.743 1.00 35.53 C ATOM 0 H ILE A 38 -6.929 5.948 0.092 1.00 1.04 H new ATOM 0 HA ILE A 38 -8.814 7.615 1.537 1.00 23.24 H new ATOM 0 HB ILE A 38 -8.352 7.302 -1.416 1.00 63.43 H new ATOM 0 HG12 ILE A 38 -7.036 9.355 0.381 1.00 11.44 H new ATOM 0 HG13 ILE A 38 -6.246 7.899 -0.192 1.00 11.44 H new ATOM 0 HG21 ILE A 38 -9.325 9.637 -1.447 1.00 32.41 H new ATOM 0 HG22 ILE A 38 -10.472 8.457 -0.769 1.00 32.41 H new ATOM 0 HG23 ILE A 38 -9.563 9.538 0.314 1.00 32.41 H new ATOM 0 HD11 ILE A 38 -5.684 9.829 -1.636 1.00 35.53 H new ATOM 0 HD12 ILE A 38 -6.609 8.617 -2.553 1.00 35.53 H new ATOM 0 HD13 ILE A 38 -7.411 10.094 -1.971 1.00 35.53 H new ATOM 578 N LYS A 39 -11.030 6.381 1.095 1.00 24.40 N ATOM 579 CA LYS A 39 -12.346 5.807 0.823 1.00 42.45 C ATOM 580 C LYS A 39 -13.347 6.906 0.484 1.00 11.11 C ATOM 581 O LYS A 39 -13.067 8.093 0.685 1.00 24.51 O ATOM 582 CB LYS A 39 -12.807 4.844 1.942 1.00 75.45 C ATOM 583 CG LYS A 39 -12.566 5.281 3.399 1.00 15.32 C ATOM 584 CD LYS A 39 -11.206 4.815 3.948 1.00 1.42 C ATOM 585 CE LYS A 39 -10.771 5.491 5.260 1.00 42.43 C ATOM 586 NZ LYS A 39 -11.590 5.106 6.430 1.00 51.12 N ATOM 0 H LYS A 39 -11.038 7.030 1.882 1.00 24.40 H new ATOM 0 HA LYS A 39 -12.276 5.175 -0.062 1.00 42.45 H new ATOM 0 HB2 LYS A 39 -13.875 4.668 1.816 1.00 75.45 H new ATOM 0 HB3 LYS A 39 -12.306 3.888 1.790 1.00 75.45 H new ATOM 0 HG2 LYS A 39 -12.624 6.368 3.461 1.00 15.32 H new ATOM 0 HG3 LYS A 39 -13.362 4.883 4.029 1.00 15.32 H new ATOM 0 HD2 LYS A 39 -11.245 3.737 4.107 1.00 1.42 H new ATOM 0 HD3 LYS A 39 -10.443 4.998 3.191 1.00 1.42 H new ATOM 0 HE2 LYS A 39 -9.729 5.240 5.459 1.00 42.43 H new ATOM 0 HE3 LYS A 39 -10.820 6.573 5.134 1.00 42.43 H new ATOM 0 HZ1 LYS A 39 -11.240 5.599 7.276 1.00 51.12 H new ATOM 0 HZ2 LYS A 39 -12.582 5.370 6.261 1.00 51.12 H new ATOM 0 HZ3 LYS A 39 -11.525 4.078 6.576 1.00 51.12 H new ATOM 600 N ASP A 40 -14.450 6.532 -0.166 1.00 62.22 N ATOM 601 CA ASP A 40 -15.382 7.492 -0.756 1.00 0.30 C ATOM 602 C ASP A 40 -16.308 8.110 0.291 1.00 71.35 C ATOM 603 O ASP A 40 -16.553 7.514 1.341 1.00 21.42 O ATOM 604 CB ASP A 40 -16.241 6.841 -1.836 1.00 64.44 C ATOM 605 CG ASP A 40 -16.782 7.935 -2.751 1.00 43.44 C ATOM 606 OD1 ASP A 40 -15.998 8.411 -3.607 1.00 44.02 O ATOM 607 OD2 ASP A 40 -17.890 8.452 -2.493 1.00 33.11 O ATOM 0 H ASP A 40 -14.721 5.558 -0.298 1.00 62.22 H new ATOM 0 HA ASP A 40 -14.767 8.277 -1.196 1.00 0.30 H new ATOM 0 HB2 ASP A 40 -15.651 6.126 -2.409 1.00 64.44 H new ATOM 0 HB3 ASP A 40 -17.062 6.286 -1.383 1.00 64.44 H new ATOM 612 N LYS A 41 -16.879 9.277 -0.012 1.00 3.24 N ATOM 613 CA LYS A 41 -17.846 9.944 0.845 1.00 0.12 C ATOM 614 C LYS A 41 -19.206 9.286 0.897 1.00 20.32 C ATOM 615 O LYS A 41 -19.876 9.415 1.919 1.00 34.44 O ATOM 616 CB LYS A 41 -18.006 11.425 0.454 1.00 55.11 C ATOM 617 CG LYS A 41 -18.540 11.643 -0.978 1.00 2.20 C ATOM 618 CD LYS A 41 -17.457 12.137 -1.935 1.00 75.34 C ATOM 619 CE LYS A 41 -17.922 12.088 -3.398 1.00 55.11 C ATOM 620 NZ LYS A 41 -17.739 10.762 -4.038 1.00 41.11 N ATOM 0 H LYS A 41 -16.677 9.788 -0.872 1.00 3.24 H new ATOM 0 HA LYS A 41 -17.426 9.860 1.848 1.00 0.12 H new ATOM 0 HB2 LYS A 41 -18.683 11.905 1.160 1.00 55.11 H new ATOM 0 HB3 LYS A 41 -17.041 11.922 0.550 1.00 55.11 H new ATOM 0 HG2 LYS A 41 -18.954 10.708 -1.354 1.00 2.20 H new ATOM 0 HG3 LYS A 41 -19.356 12.366 -0.953 1.00 2.20 H new ATOM 0 HD2 LYS A 41 -17.181 13.159 -1.675 1.00 75.34 H new ATOM 0 HD3 LYS A 41 -16.562 11.526 -1.818 1.00 75.34 H new ATOM 0 HE2 LYS A 41 -18.976 12.361 -3.444 1.00 55.11 H new ATOM 0 HE3 LYS A 41 -17.373 12.836 -3.970 1.00 55.11 H new ATOM 0 HZ1 LYS A 41 -18.319 10.709 -4.900 1.00 41.11 H new ATOM 0 HZ2 LYS A 41 -16.738 10.632 -4.286 1.00 41.11 H new ATOM 0 HZ3 LYS A 41 -18.032 10.014 -3.377 1.00 41.11 H new ATOM 634 N GLN A 42 -19.646 8.629 -0.169 1.00 53.23 N ATOM 635 CA GLN A 42 -20.972 8.039 -0.208 1.00 51.41 C ATOM 636 C GLN A 42 -20.842 6.554 0.025 1.00 61.51 C ATOM 637 O GLN A 42 -21.472 6.015 0.934 1.00 71.43 O ATOM 638 CB GLN A 42 -21.688 8.389 -1.517 1.00 21.22 C ATOM 639 CG GLN A 42 -22.666 9.553 -1.313 1.00 32.30 C ATOM 640 CD GLN A 42 -23.892 9.117 -0.509 1.00 62.24 C ATOM 641 OE1 GLN A 42 -24.786 8.474 -1.045 1.00 3.24 O ATOM 642 NE2 GLN A 42 -23.949 9.410 0.777 1.00 23.44 N ATOM 0 H GLN A 42 -19.099 8.493 -1.019 1.00 53.23 H new ATOM 0 HA GLN A 42 -21.598 8.450 0.584 1.00 51.41 H new ATOM 0 HB2 GLN A 42 -20.954 8.655 -2.278 1.00 21.22 H new ATOM 0 HB3 GLN A 42 -22.227 7.516 -1.886 1.00 21.22 H new ATOM 0 HG2 GLN A 42 -22.161 10.368 -0.795 1.00 32.30 H new ATOM 0 HG3 GLN A 42 -22.983 9.938 -2.282 1.00 32.30 H new ATOM 0 HE21 GLN A 42 -23.198 9.946 1.212 1.00 23.44 H new ATOM 0 HE22 GLN A 42 -24.744 9.100 1.336 1.00 23.44 H new ATOM 651 N THR A 43 -19.988 5.903 -0.757 1.00 22.40 N ATOM 652 CA THR A 43 -19.977 4.447 -0.793 1.00 33.43 C ATOM 653 C THR A 43 -19.235 3.870 0.420 1.00 61.42 C ATOM 654 O THR A 43 -19.408 2.694 0.740 1.00 43.24 O ATOM 655 CB THR A 43 -19.423 3.959 -2.145 1.00 60.24 C ATOM 656 OG1 THR A 43 -18.078 4.342 -2.331 1.00 60.34 O ATOM 657 CG2 THR A 43 -20.226 4.505 -3.332 1.00 34.21 C ATOM 0 H THR A 43 -19.304 6.353 -1.366 1.00 22.40 H new ATOM 0 HA THR A 43 -20.998 4.072 -0.717 1.00 33.43 H new ATOM 0 HB THR A 43 -19.504 2.872 -2.113 1.00 60.24 H new ATOM 0 HG1 THR A 43 -18.040 5.131 -2.911 1.00 60.34 H new ATOM 0 HG21 THR A 43 -19.798 4.133 -4.263 1.00 34.21 H new ATOM 0 HG22 THR A 43 -21.262 4.176 -3.253 1.00 34.21 H new ATOM 0 HG23 THR A 43 -20.190 5.594 -3.325 1.00 34.21 H new ATOM 665 N GLN A 44 -18.417 4.693 1.098 1.00 53.25 N ATOM 666 CA GLN A 44 -17.441 4.300 2.113 1.00 53.22 C ATOM 667 C GLN A 44 -16.420 3.282 1.586 1.00 11.03 C ATOM 668 O GLN A 44 -15.725 2.656 2.386 1.00 42.11 O ATOM 669 CB GLN A 44 -18.128 3.811 3.402 1.00 20.31 C ATOM 670 CG GLN A 44 -19.272 4.696 3.916 1.00 44.43 C ATOM 671 CD GLN A 44 -18.859 6.156 4.071 1.00 0.44 C ATOM 672 OE1 GLN A 44 -17.849 6.477 4.696 1.00 75.42 O ATOM 673 NE2 GLN A 44 -19.602 7.068 3.470 1.00 20.11 N ATOM 0 H GLN A 44 -18.424 5.701 0.940 1.00 53.25 H new ATOM 0 HA GLN A 44 -16.876 5.197 2.366 1.00 53.22 H new ATOM 0 HB2 GLN A 44 -18.518 2.808 3.228 1.00 20.31 H new ATOM 0 HB3 GLN A 44 -17.375 3.729 4.186 1.00 20.31 H new ATOM 0 HG2 GLN A 44 -20.114 4.632 3.227 1.00 44.43 H new ATOM 0 HG3 GLN A 44 -19.617 4.316 4.877 1.00 44.43 H new ATOM 0 HE21 GLN A 44 -20.437 6.787 2.955 1.00 20.11 H new ATOM 0 HE22 GLN A 44 -19.341 8.053 3.521 1.00 20.11 H new ATOM 682 N LEU A 45 -16.322 3.099 0.265 1.00 62.32 N ATOM 683 CA LEU A 45 -15.428 2.125 -0.347 1.00 51.02 C ATOM 684 C LEU A 45 -14.151 2.819 -0.765 1.00 64.45 C ATOM 685 O LEU A 45 -14.169 3.991 -1.139 1.00 23.42 O ATOM 686 CB LEU A 45 -16.038 1.515 -1.609 1.00 15.20 C ATOM 687 CG LEU A 45 -17.418 0.874 -1.412 1.00 14.13 C ATOM 688 CD1 LEU A 45 -17.996 0.509 -2.780 1.00 43.03 C ATOM 689 CD2 LEU A 45 -17.378 -0.291 -0.417 1.00 42.22 C ATOM 0 H LEU A 45 -16.869 3.631 -0.412 1.00 62.32 H new ATOM 0 HA LEU A 45 -15.247 1.340 0.388 1.00 51.02 H new ATOM 0 HB2 LEU A 45 -16.119 2.293 -2.369 1.00 15.20 H new ATOM 0 HB3 LEU A 45 -15.354 0.760 -1.998 1.00 15.20 H new ATOM 0 HG LEU A 45 -18.095 1.592 -0.950 1.00 14.13 H new ATOM 0 HD11 LEU A 45 -18.977 0.052 -2.650 1.00 43.03 H new ATOM 0 HD12 LEU A 45 -18.092 1.410 -3.386 1.00 43.03 H new ATOM 0 HD13 LEU A 45 -17.331 -0.196 -3.280 1.00 43.03 H new ATOM 0 HD21 LEU A 45 -18.377 -0.713 -0.310 1.00 42.22 H new ATOM 0 HD22 LEU A 45 -16.697 -1.059 -0.783 1.00 42.22 H new ATOM 0 HD23 LEU A 45 -17.031 0.069 0.551 1.00 42.22 H new ATOM 701 N ASN A 46 -13.049 2.082 -0.756 1.00 14.21 N ATOM 702 CA ASN A 46 -11.732 2.613 -1.087 1.00 20.33 C ATOM 703 C ASN A 46 -11.694 3.118 -2.527 1.00 3.20 C ATOM 704 O ASN A 46 -12.484 2.692 -3.367 1.00 32.11 O ATOM 705 CB ASN A 46 -10.613 1.584 -0.902 1.00 62.33 C ATOM 706 CG ASN A 46 -10.783 0.711 0.312 1.00 14.01 C ATOM 707 OD1 ASN A 46 -11.103 1.202 1.386 1.00 22.42 O ATOM 708 ND2 ASN A 46 -10.576 -0.580 0.164 1.00 35.34 N ATOM 0 H ASN A 46 -13.043 1.090 -0.517 1.00 14.21 H new ATOM 0 HA ASN A 46 -11.560 3.435 -0.393 1.00 20.33 H new ATOM 0 HB2 ASN A 46 -10.564 0.952 -1.788 1.00 62.33 H new ATOM 0 HB3 ASN A 46 -9.659 2.107 -0.831 1.00 62.33 H new ATOM 0 HD21 ASN A 46 -10.681 -1.208 0.961 1.00 35.34 H new ATOM 0 HD22 ASN A 46 -10.310 -0.953 -0.748 1.00 35.34 H new ATOM 715 N ARG A 47 -10.692 3.930 -2.874 1.00 41.03 N ATOM 716 CA ARG A 47 -10.453 4.332 -4.268 1.00 14.42 C ATOM 717 C ARG A 47 -9.614 3.303 -5.044 1.00 33.30 C ATOM 718 O ARG A 47 -9.105 3.631 -6.110 1.00 62.35 O ATOM 719 CB ARG A 47 -9.852 5.750 -4.328 1.00 43.32 C ATOM 720 CG ARG A 47 -10.676 6.786 -3.539 1.00 52.04 C ATOM 721 CD ARG A 47 -10.826 8.169 -4.188 1.00 60.33 C ATOM 722 NE ARG A 47 -9.583 8.724 -4.768 1.00 15.41 N ATOM 723 CZ ARG A 47 -9.521 9.464 -5.888 1.00 52.34 C ATOM 724 NH1 ARG A 47 -10.615 9.811 -6.552 1.00 51.43 N ATOM 725 NH2 ARG A 47 -8.358 9.871 -6.377 1.00 13.24 N ATOM 0 H ARG A 47 -10.029 4.325 -2.207 1.00 41.03 H new ATOM 0 HA ARG A 47 -11.418 4.360 -4.773 1.00 14.42 H new ATOM 0 HB2 ARG A 47 -8.836 5.725 -3.934 1.00 43.32 H new ATOM 0 HB3 ARG A 47 -9.782 6.066 -5.369 1.00 43.32 H new ATOM 0 HG2 ARG A 47 -11.672 6.376 -3.372 1.00 52.04 H new ATOM 0 HG3 ARG A 47 -10.216 6.915 -2.559 1.00 52.04 H new ATOM 0 HD2 ARG A 47 -11.579 8.106 -4.973 1.00 60.33 H new ATOM 0 HD3 ARG A 47 -11.203 8.866 -3.440 1.00 60.33 H new ATOM 0 HE ARG A 47 -8.708 8.530 -4.281 1.00 15.41 H new ATOM 0 HH11 ARG A 47 -11.531 9.516 -6.215 1.00 51.43 H new ATOM 0 HH12 ARG A 47 -10.540 10.373 -7.400 1.00 51.43 H new ATOM 0 HH21 ARG A 47 -7.490 9.623 -5.902 1.00 13.24 H new ATOM 0 HH22 ARG A 47 -8.331 10.432 -7.228 1.00 13.24 H new ATOM 739 N GLY A 48 -9.451 2.083 -4.524 1.00 1.32 N ATOM 740 CA GLY A 48 -8.801 0.946 -5.173 1.00 44.03 C ATOM 741 C GLY A 48 -7.285 1.071 -5.388 1.00 55.14 C ATOM 742 O GLY A 48 -6.654 0.184 -5.966 1.00 40.04 O ATOM 0 H GLY A 48 -9.788 1.852 -3.589 1.00 1.32 H new ATOM 0 HA2 GLY A 48 -8.991 0.054 -4.576 1.00 44.03 H new ATOM 0 HA3 GLY A 48 -9.274 0.787 -6.142 1.00 44.03 H new ATOM 746 N PHE A 49 -6.659 2.055 -4.749 1.00 55.43 N ATOM 747 CA PHE A 49 -5.224 2.162 -4.535 1.00 11.31 C ATOM 748 C PHE A 49 -5.014 2.731 -3.138 1.00 21.53 C ATOM 749 O PHE A 49 -5.955 3.245 -2.518 1.00 3.32 O ATOM 750 CB PHE A 49 -4.553 3.002 -5.629 1.00 11.03 C ATOM 751 CG PHE A 49 -5.289 4.269 -5.985 1.00 42.35 C ATOM 752 CD1 PHE A 49 -5.255 5.386 -5.132 1.00 2.45 C ATOM 753 CD2 PHE A 49 -6.033 4.306 -7.174 1.00 60.12 C ATOM 754 CE1 PHE A 49 -5.995 6.535 -5.460 1.00 61.22 C ATOM 755 CE2 PHE A 49 -6.737 5.469 -7.519 1.00 4.11 C ATOM 756 CZ PHE A 49 -6.740 6.574 -6.653 1.00 0.05 C ATOM 0 H PHE A 49 -7.169 2.841 -4.346 1.00 55.43 H new ATOM 0 HA PHE A 49 -4.749 1.183 -4.601 1.00 11.31 H new ATOM 0 HB2 PHE A 49 -3.546 3.261 -5.304 1.00 11.03 H new ATOM 0 HB3 PHE A 49 -4.451 2.392 -6.526 1.00 11.03 H new ATOM 0 HD1 PHE A 49 -4.663 5.361 -4.229 1.00 2.45 H new ATOM 0 HD2 PHE A 49 -6.063 3.442 -7.821 1.00 60.12 H new ATOM 0 HE1 PHE A 49 -5.992 7.387 -4.797 1.00 61.22 H new ATOM 0 HE2 PHE A 49 -7.278 5.515 -8.453 1.00 4.11 H new ATOM 0 HZ PHE A 49 -7.314 7.454 -6.903 1.00 0.05 H new ATOM 766 N ALA A 50 -3.808 2.592 -2.604 1.00 41.33 N ATOM 767 CA ALA A 50 -3.432 3.099 -1.294 1.00 52.41 C ATOM 768 C ALA A 50 -1.979 3.549 -1.361 1.00 51.31 C ATOM 769 O ALA A 50 -1.268 3.191 -2.293 1.00 60.34 O ATOM 770 CB ALA A 50 -3.642 2.010 -0.234 1.00 54.41 C ATOM 0 H ALA A 50 -3.046 2.111 -3.083 1.00 41.33 H new ATOM 0 HA ALA A 50 -4.054 3.948 -1.011 1.00 52.41 H new ATOM 0 HB1 ALA A 50 -3.359 2.396 0.745 1.00 54.41 H new ATOM 0 HB2 ALA A 50 -4.691 1.715 -0.218 1.00 54.41 H new ATOM 0 HB3 ALA A 50 -3.026 1.144 -0.475 1.00 54.41 H new ATOM 776 N PHE A 51 -1.521 4.303 -0.370 1.00 22.55 N ATOM 777 CA PHE A 51 -0.226 4.965 -0.381 1.00 33.15 C ATOM 778 C PHE A 51 0.431 4.663 0.957 1.00 2.21 C ATOM 779 O PHE A 51 -0.207 4.866 1.988 1.00 74.42 O ATOM 780 CB PHE A 51 -0.431 6.478 -0.535 1.00 12.24 C ATOM 781 CG PHE A 51 -1.172 6.943 -1.771 1.00 52.40 C ATOM 782 CD1 PHE A 51 -2.579 7.009 -1.765 1.00 41.22 C ATOM 783 CD2 PHE A 51 -0.459 7.402 -2.891 1.00 41.44 C ATOM 784 CE1 PHE A 51 -3.268 7.527 -2.873 1.00 41.33 C ATOM 785 CE2 PHE A 51 -1.148 7.924 -3.999 1.00 73.51 C ATOM 786 CZ PHE A 51 -2.553 7.987 -3.992 1.00 41.40 C ATOM 0 H PHE A 51 -2.053 4.474 0.483 1.00 22.55 H new ATOM 0 HA PHE A 51 0.395 4.617 -1.206 1.00 33.15 H new ATOM 0 HB2 PHE A 51 -0.971 6.839 0.341 1.00 12.24 H new ATOM 0 HB3 PHE A 51 0.548 6.956 -0.526 1.00 12.24 H new ATOM 0 HD1 PHE A 51 -3.130 6.660 -0.904 1.00 41.22 H new ATOM 0 HD2 PHE A 51 0.620 7.354 -2.901 1.00 41.44 H new ATOM 0 HE1 PHE A 51 -4.347 7.572 -2.865 1.00 41.33 H new ATOM 0 HE2 PHE A 51 -0.597 8.278 -4.858 1.00 73.51 H new ATOM 0 HZ PHE A 51 -3.081 8.388 -4.844 1.00 41.40 H new ATOM 796 N ILE A 52 1.672 4.199 0.966 1.00 22.15 N ATOM 797 CA ILE A 52 2.507 4.035 2.154 1.00 54.12 C ATOM 798 C ILE A 52 3.402 5.272 2.215 1.00 2.33 C ATOM 799 O ILE A 52 3.984 5.653 1.196 1.00 23.22 O ATOM 800 CB ILE A 52 3.330 2.732 2.037 1.00 15.13 C ATOM 801 CG1 ILE A 52 2.416 1.507 1.798 1.00 12.22 C ATOM 802 CG2 ILE A 52 4.243 2.480 3.246 1.00 71.34 C ATOM 803 CD1 ILE A 52 3.155 0.177 1.606 1.00 4.43 C ATOM 0 H ILE A 52 2.148 3.913 0.110 1.00 22.15 H new ATOM 0 HA ILE A 52 1.918 3.950 3.068 1.00 54.12 H new ATOM 0 HB ILE A 52 3.977 2.870 1.171 1.00 15.13 H new ATOM 0 HG12 ILE A 52 1.736 1.409 2.644 1.00 12.22 H new ATOM 0 HG13 ILE A 52 1.803 1.696 0.917 1.00 12.22 H new ATOM 0 HG21 ILE A 52 4.792 1.550 3.100 1.00 71.34 H new ATOM 0 HG22 ILE A 52 4.948 3.305 3.348 1.00 71.34 H new ATOM 0 HG23 ILE A 52 3.638 2.406 4.150 1.00 71.34 H new ATOM 0 HD11 ILE A 52 2.431 -0.622 1.445 1.00 4.43 H new ATOM 0 HD12 ILE A 52 3.814 0.249 0.741 1.00 4.43 H new ATOM 0 HD13 ILE A 52 3.746 -0.043 2.495 1.00 4.43 H new ATOM 815 N GLN A 53 3.487 5.918 3.378 1.00 44.02 N ATOM 816 CA GLN A 53 4.361 7.039 3.657 1.00 51.31 C ATOM 817 C GLN A 53 5.430 6.484 4.590 1.00 72.42 C ATOM 818 O GLN A 53 5.173 6.305 5.784 1.00 51.14 O ATOM 819 CB GLN A 53 3.588 8.202 4.314 1.00 53.24 C ATOM 820 CG GLN A 53 2.640 8.972 3.382 1.00 52.22 C ATOM 821 CD GLN A 53 1.296 8.277 3.203 1.00 52.32 C ATOM 822 OE1 GLN A 53 0.367 8.447 3.986 1.00 4.33 O ATOM 823 NE2 GLN A 53 1.155 7.489 2.154 1.00 74.51 N ATOM 0 H GLN A 53 2.919 5.656 4.183 1.00 44.02 H new ATOM 0 HA GLN A 53 4.794 7.453 2.747 1.00 51.31 H new ATOM 0 HB2 GLN A 53 3.008 7.806 5.148 1.00 53.24 H new ATOM 0 HB3 GLN A 53 4.309 8.904 4.733 1.00 53.24 H new ATOM 0 HG2 GLN A 53 2.476 9.972 3.783 1.00 52.22 H new ATOM 0 HG3 GLN A 53 3.114 9.093 2.408 1.00 52.22 H new ATOM 0 HE21 GLN A 53 1.934 7.354 1.509 1.00 74.51 H new ATOM 0 HE22 GLN A 53 0.267 7.015 1.988 1.00 74.51 H new ATOM 832 N LEU A 54 6.600 6.164 4.040 1.00 52.34 N ATOM 833 CA LEU A 54 7.773 5.741 4.793 1.00 43.11 C ATOM 834 C LEU A 54 8.909 6.727 4.519 1.00 20.34 C ATOM 835 O LEU A 54 8.787 7.640 3.702 1.00 31.13 O ATOM 836 CB LEU A 54 8.166 4.288 4.442 1.00 31.01 C ATOM 837 CG LEU A 54 7.545 3.197 5.332 1.00 75.43 C ATOM 838 CD1 LEU A 54 7.948 1.829 4.766 1.00 61.31 C ATOM 839 CD2 LEU A 54 8.022 3.285 6.788 1.00 71.14 C ATOM 0 H LEU A 54 6.760 6.193 3.033 1.00 52.34 H new ATOM 0 HA LEU A 54 7.551 5.747 5.860 1.00 43.11 H new ATOM 0 HB2 LEU A 54 7.881 4.093 3.408 1.00 31.01 H new ATOM 0 HB3 LEU A 54 9.251 4.201 4.496 1.00 31.01 H new ATOM 0 HG LEU A 54 6.464 3.336 5.330 1.00 75.43 H new ATOM 0 HD11 LEU A 54 7.518 1.039 5.382 1.00 61.31 H new ATOM 0 HD12 LEU A 54 7.578 1.734 3.745 1.00 61.31 H new ATOM 0 HD13 LEU A 54 9.034 1.740 4.768 1.00 61.31 H new ATOM 0 HD21 LEU A 54 7.554 2.493 7.373 1.00 71.14 H new ATOM 0 HD22 LEU A 54 9.105 3.170 6.823 1.00 71.14 H new ATOM 0 HD23 LEU A 54 7.746 4.254 7.203 1.00 71.14 H new ATOM 851 N SER A 55 9.983 6.561 5.274 1.00 20.44 N ATOM 852 CA SER A 55 11.142 7.431 5.350 1.00 32.03 C ATOM 853 C SER A 55 12.006 7.337 4.087 1.00 63.03 C ATOM 854 O SER A 55 11.880 6.377 3.324 1.00 41.31 O ATOM 855 CB SER A 55 11.921 6.972 6.583 1.00 44.14 C ATOM 856 OG SER A 55 11.034 6.695 7.655 1.00 1.51 O ATOM 0 H SER A 55 10.072 5.756 5.894 1.00 20.44 H new ATOM 0 HA SER A 55 10.843 8.477 5.426 1.00 32.03 H new ATOM 0 HB2 SER A 55 12.501 6.081 6.343 1.00 44.14 H new ATOM 0 HB3 SER A 55 12.631 7.744 6.880 1.00 44.14 H new ATOM 0 HG SER A 55 11.458 6.067 8.276 1.00 1.51 H new ATOM 862 N THR A 56 12.943 8.273 3.906 1.00 20.14 N ATOM 863 CA THR A 56 13.764 8.385 2.701 1.00 24.32 C ATOM 864 C THR A 56 14.631 7.132 2.486 1.00 41.11 C ATOM 865 O THR A 56 14.913 6.742 1.352 1.00 44.12 O ATOM 866 CB THR A 56 14.626 9.661 2.795 1.00 51.43 C ATOM 867 OG1 THR A 56 13.911 10.736 3.388 1.00 4.52 O ATOM 868 CG2 THR A 56 15.127 10.129 1.428 1.00 4.45 C ATOM 0 H THR A 56 13.154 8.985 4.605 1.00 20.14 H new ATOM 0 HA THR A 56 13.110 8.459 1.832 1.00 24.32 H new ATOM 0 HB THR A 56 15.478 9.388 3.418 1.00 51.43 H new ATOM 0 HG1 THR A 56 14.488 11.527 3.433 1.00 4.52 H new ATOM 0 HG21 THR A 56 15.728 11.030 1.550 1.00 4.45 H new ATOM 0 HG22 THR A 56 15.735 9.345 0.975 1.00 4.45 H new ATOM 0 HG23 THR A 56 14.275 10.346 0.783 1.00 4.45 H new ATOM 876 N ILE A 57 15.073 6.495 3.574 1.00 20.23 N ATOM 877 CA ILE A 57 15.736 5.195 3.532 1.00 63.42 C ATOM 878 C ILE A 57 14.682 4.100 3.454 1.00 75.34 C ATOM 879 O ILE A 57 14.772 3.222 2.603 1.00 40.30 O ATOM 880 CB ILE A 57 16.676 4.987 4.742 1.00 0.11 C ATOM 881 CG1 ILE A 57 17.696 6.131 4.824 1.00 20.21 C ATOM 882 CG2 ILE A 57 17.396 3.634 4.628 1.00 43.13 C ATOM 883 CD1 ILE A 57 18.637 6.034 6.021 1.00 43.20 C ATOM 0 H ILE A 57 14.978 6.874 4.516 1.00 20.23 H new ATOM 0 HA ILE A 57 16.366 5.152 2.643 1.00 63.42 H new ATOM 0 HB ILE A 57 16.080 4.988 5.654 1.00 0.11 H new ATOM 0 HG12 ILE A 57 18.288 6.144 3.909 1.00 20.21 H new ATOM 0 HG13 ILE A 57 17.161 7.079 4.871 1.00 20.21 H new ATOM 0 HG21 ILE A 57 18.055 3.499 5.486 1.00 43.13 H new ATOM 0 HG22 ILE A 57 16.660 2.831 4.606 1.00 43.13 H new ATOM 0 HG23 ILE A 57 17.985 3.611 3.711 1.00 43.13 H new ATOM 0 HD11 ILE A 57 19.328 6.877 6.010 1.00 43.20 H new ATOM 0 HD12 ILE A 57 18.056 6.053 6.943 1.00 43.20 H new ATOM 0 HD13 ILE A 57 19.200 5.103 5.966 1.00 43.20 H new ATOM 895 N GLU A 58 13.734 4.103 4.388 1.00 21.15 N ATOM 896 CA GLU A 58 12.936 2.926 4.699 1.00 43.10 C ATOM 897 C GLU A 58 12.064 2.527 3.526 1.00 1.55 C ATOM 898 O GLU A 58 12.016 1.351 3.184 1.00 62.32 O ATOM 899 CB GLU A 58 12.071 3.191 5.931 1.00 21.02 C ATOM 900 CG GLU A 58 12.978 3.421 7.141 1.00 71.13 C ATOM 901 CD GLU A 58 12.174 3.419 8.431 1.00 40.34 C ATOM 902 OE1 GLU A 58 11.661 4.501 8.805 1.00 20.13 O ATOM 903 OE2 GLU A 58 12.054 2.337 9.041 1.00 20.34 O ATOM 0 H GLU A 58 13.500 4.922 4.949 1.00 21.15 H new ATOM 0 HA GLU A 58 13.617 2.101 4.908 1.00 43.10 H new ATOM 0 HB2 GLU A 58 11.438 4.062 5.765 1.00 21.02 H new ATOM 0 HB3 GLU A 58 11.408 2.345 6.114 1.00 21.02 H new ATOM 0 HG2 GLU A 58 13.740 2.643 7.182 1.00 71.13 H new ATOM 0 HG3 GLU A 58 13.499 4.372 7.034 1.00 71.13 H new ATOM 910 N ALA A 59 11.401 3.503 2.904 1.00 75.44 N ATOM 911 CA ALA A 59 10.550 3.232 1.755 1.00 51.31 C ATOM 912 C ALA A 59 11.395 2.647 0.625 1.00 0.34 C ATOM 913 O ALA A 59 11.022 1.630 0.052 1.00 34.35 O ATOM 914 CB ALA A 59 9.857 4.505 1.275 1.00 41.20 C ATOM 0 H ALA A 59 11.440 4.484 3.179 1.00 75.44 H new ATOM 0 HA ALA A 59 9.782 2.517 2.052 1.00 51.31 H new ATOM 0 HB1 ALA A 59 9.227 4.275 0.416 1.00 41.20 H new ATOM 0 HB2 ALA A 59 9.241 4.909 2.078 1.00 41.20 H new ATOM 0 HB3 ALA A 59 10.607 5.242 0.988 1.00 41.20 H new ATOM 920 N ALA A 60 12.528 3.283 0.314 1.00 24.01 N ATOM 921 CA ALA A 60 13.441 2.839 -0.721 1.00 40.52 C ATOM 922 C ALA A 60 13.907 1.409 -0.467 1.00 53.34 C ATOM 923 O ALA A 60 13.823 0.567 -1.359 1.00 73.42 O ATOM 924 CB ALA A 60 14.632 3.800 -0.794 1.00 20.14 C ATOM 0 H ALA A 60 12.834 4.134 0.787 1.00 24.01 H new ATOM 0 HA ALA A 60 12.920 2.844 -1.678 1.00 40.52 H new ATOM 0 HB1 ALA A 60 15.320 3.468 -1.572 1.00 20.14 H new ATOM 0 HB2 ALA A 60 14.276 4.803 -1.028 1.00 20.14 H new ATOM 0 HB3 ALA A 60 15.148 3.813 0.166 1.00 20.14 H new ATOM 930 N GLN A 61 14.436 1.130 0.724 1.00 44.10 N ATOM 931 CA GLN A 61 14.938 -0.186 1.094 1.00 22.24 C ATOM 932 C GLN A 61 13.827 -1.213 0.981 1.00 34.05 C ATOM 933 O GLN A 61 13.962 -2.162 0.213 1.00 12.41 O ATOM 934 CB GLN A 61 15.502 -0.178 2.515 1.00 24.01 C ATOM 935 CG GLN A 61 16.851 0.544 2.579 1.00 51.30 C ATOM 936 CD GLN A 61 17.549 0.330 3.915 1.00 15.32 C ATOM 937 OE1 GLN A 61 18.773 0.262 3.963 1.00 23.23 O ATOM 938 NE2 GLN A 61 16.826 0.252 5.020 1.00 40.32 N ATOM 0 H GLN A 61 14.528 1.823 1.466 1.00 44.10 H new ATOM 0 HA GLN A 61 15.744 -0.450 0.410 1.00 22.24 H new ATOM 0 HB2 GLN A 61 14.795 0.310 3.186 1.00 24.01 H new ATOM 0 HB3 GLN A 61 15.620 -1.203 2.867 1.00 24.01 H new ATOM 0 HG2 GLN A 61 17.492 0.186 1.773 1.00 51.30 H new ATOM 0 HG3 GLN A 61 16.699 1.611 2.416 1.00 51.30 H new ATOM 0 HE21 GLN A 61 15.809 0.310 4.969 1.00 40.32 H new ATOM 0 HE22 GLN A 61 17.286 0.134 5.923 1.00 40.32 H new ATOM 947 N LEU A 62 12.735 -1.004 1.721 1.00 15.25 N ATOM 948 CA LEU A 62 11.596 -1.901 1.757 1.00 40.41 C ATOM 949 C LEU A 62 11.136 -2.178 0.339 1.00 21.24 C ATOM 950 O LEU A 62 11.090 -3.340 -0.054 1.00 54.51 O ATOM 951 CB LEU A 62 10.492 -1.313 2.648 1.00 35.25 C ATOM 952 CG LEU A 62 9.198 -2.139 2.778 1.00 24.34 C ATOM 953 CD1 LEU A 62 8.144 -1.759 1.743 1.00 54.55 C ATOM 954 CD2 LEU A 62 9.420 -3.657 2.868 1.00 71.23 C ATOM 0 H LEU A 62 12.624 -0.187 2.321 1.00 15.25 H new ATOM 0 HA LEU A 62 11.873 -2.857 2.201 1.00 40.41 H new ATOM 0 HB2 LEU A 62 10.903 -1.164 3.646 1.00 35.25 H new ATOM 0 HB3 LEU A 62 10.230 -0.328 2.261 1.00 35.25 H new ATOM 0 HG LEU A 62 8.793 -1.859 3.751 1.00 24.34 H new ATOM 0 HD11 LEU A 62 7.256 -2.375 1.885 1.00 54.55 H new ATOM 0 HD12 LEU A 62 7.880 -0.708 1.862 1.00 54.55 H new ATOM 0 HD13 LEU A 62 8.542 -1.922 0.741 1.00 54.55 H new ATOM 0 HD21 LEU A 62 8.458 -4.161 2.957 1.00 71.23 H new ATOM 0 HD22 LEU A 62 9.929 -4.004 1.969 1.00 71.23 H new ATOM 0 HD23 LEU A 62 10.031 -3.884 3.742 1.00 71.23 H new ATOM 966 N LEU A 63 10.870 -1.140 -0.457 1.00 4.23 N ATOM 967 CA LEU A 63 10.423 -1.308 -1.824 1.00 31.14 C ATOM 968 C LEU A 63 11.360 -2.237 -2.570 1.00 75.24 C ATOM 969 O LEU A 63 10.898 -3.178 -3.217 1.00 30.00 O ATOM 970 CB LEU A 63 10.370 0.046 -2.539 1.00 44.40 C ATOM 971 CG LEU A 63 10.147 -0.010 -4.061 1.00 43.52 C ATOM 972 CD1 LEU A 63 11.359 -0.258 -4.954 1.00 42.40 C ATOM 973 CD2 LEU A 63 8.888 -0.770 -4.482 1.00 52.23 C ATOM 0 H LEU A 63 10.961 -0.167 -0.165 1.00 4.23 H new ATOM 0 HA LEU A 63 9.423 -1.742 -1.807 1.00 31.14 H new ATOM 0 HB2 LEU A 63 9.571 0.639 -2.095 1.00 44.40 H new ATOM 0 HB3 LEU A 63 11.304 0.574 -2.347 1.00 44.40 H new ATOM 0 HG LEU A 63 9.951 1.040 -4.277 1.00 43.52 H new ATOM 0 HD11 LEU A 63 11.045 -0.271 -5.998 1.00 42.40 H new ATOM 0 HD12 LEU A 63 12.090 0.537 -4.804 1.00 42.40 H new ATOM 0 HD13 LEU A 63 11.809 -1.217 -4.699 1.00 42.40 H new ATOM 0 HD21 LEU A 63 8.805 -0.763 -5.569 1.00 52.23 H new ATOM 0 HD22 LEU A 63 8.950 -1.800 -4.130 1.00 52.23 H new ATOM 0 HD23 LEU A 63 8.011 -0.290 -4.048 1.00 52.23 H new ATOM 985 N GLN A 64 12.664 -1.954 -2.512 1.00 72.13 N ATOM 986 CA GLN A 64 13.601 -2.681 -3.336 1.00 63.21 C ATOM 987 C GLN A 64 13.556 -4.176 -2.977 1.00 43.20 C ATOM 988 O GLN A 64 13.653 -5.018 -3.868 1.00 71.13 O ATOM 989 CB GLN A 64 15.035 -2.153 -3.168 1.00 12.15 C ATOM 990 CG GLN A 64 15.326 -0.829 -3.847 1.00 21.21 C ATOM 991 CD GLN A 64 16.601 -0.169 -3.323 1.00 72.43 C ATOM 992 OE1 GLN A 64 17.622 -0.091 -4.002 1.00 53.33 O ATOM 993 NE2 GLN A 64 16.556 0.317 -2.097 1.00 2.12 N ATOM 0 H GLN A 64 13.078 -1.240 -1.913 1.00 72.13 H new ATOM 0 HA GLN A 64 13.311 -2.538 -4.377 1.00 63.21 H new ATOM 0 HB2 GLN A 64 15.243 -2.049 -2.103 1.00 12.15 H new ATOM 0 HB3 GLN A 64 15.727 -2.901 -3.556 1.00 12.15 H new ATOM 0 HG2 GLN A 64 15.419 -0.988 -4.921 1.00 21.21 H new ATOM 0 HG3 GLN A 64 14.483 -0.154 -3.696 1.00 21.21 H new ATOM 0 HE21 GLN A 64 15.698 0.242 -1.550 1.00 2.12 H new ATOM 0 HE22 GLN A 64 17.379 0.768 -1.697 1.00 2.12 H new ATOM 1002 N ILE A 65 13.390 -4.509 -1.692 1.00 34.34 N ATOM 1003 CA ILE A 65 13.189 -5.868 -1.205 1.00 21.03 C ATOM 1004 C ILE A 65 11.987 -6.499 -1.920 1.00 41.25 C ATOM 1005 O ILE A 65 12.174 -7.540 -2.553 1.00 13.51 O ATOM 1006 CB ILE A 65 13.179 -5.906 0.352 1.00 3.40 C ATOM 1007 CG1 ILE A 65 14.486 -5.321 0.946 1.00 65.03 C ATOM 1008 CG2 ILE A 65 12.943 -7.306 0.924 1.00 53.15 C ATOM 1009 CD1 ILE A 65 14.400 -4.962 2.435 1.00 22.44 C ATOM 0 H ILE A 65 13.393 -3.815 -0.944 1.00 34.34 H new ATOM 0 HA ILE A 65 14.031 -6.510 -1.463 1.00 21.03 H new ATOM 0 HB ILE A 65 12.335 -5.283 0.647 1.00 3.40 H new ATOM 0 HG12 ILE A 65 15.290 -6.043 0.805 1.00 65.03 H new ATOM 0 HG13 ILE A 65 14.758 -4.427 0.384 1.00 65.03 H new ATOM 0 HG21 ILE A 65 12.948 -7.260 2.013 1.00 53.15 H new ATOM 0 HG22 ILE A 65 11.979 -7.681 0.581 1.00 53.15 H new ATOM 0 HG23 ILE A 65 13.734 -7.975 0.586 1.00 53.15 H new ATOM 0 HD11 ILE A 65 15.357 -4.560 2.768 1.00 22.44 H new ATOM 0 HD12 ILE A 65 13.621 -4.215 2.585 1.00 22.44 H new ATOM 0 HD13 ILE A 65 14.161 -5.856 3.012 1.00 22.44 H new ATOM 1021 N LEU A 66 10.802 -5.863 -1.917 1.00 71.41 N ATOM 1022 CA LEU A 66 9.591 -6.399 -2.571 1.00 23.00 C ATOM 1023 C LEU A 66 9.787 -6.644 -4.066 1.00 23.04 C ATOM 1024 O LEU A 66 9.096 -7.490 -4.644 1.00 13.53 O ATOM 1025 CB LEU A 66 8.359 -5.476 -2.428 1.00 10.13 C ATOM 1026 CG LEU A 66 7.649 -5.435 -1.067 1.00 33.41 C ATOM 1027 CD1 LEU A 66 7.370 -6.805 -0.471 1.00 3.11 C ATOM 1028 CD2 LEU A 66 8.418 -4.647 -0.048 1.00 10.33 C ATOM 0 H LEU A 66 10.655 -4.962 -1.461 1.00 71.41 H new ATOM 0 HA LEU A 66 9.413 -7.339 -2.049 1.00 23.00 H new ATOM 0 HB2 LEU A 66 8.671 -4.461 -2.674 1.00 10.13 H new ATOM 0 HB3 LEU A 66 7.627 -5.775 -3.179 1.00 10.13 H new ATOM 0 HG LEU A 66 6.698 -4.951 -1.289 1.00 33.41 H new ATOM 0 HD11 LEU A 66 6.867 -6.689 0.489 1.00 3.11 H new ATOM 0 HD12 LEU A 66 6.732 -7.373 -1.148 1.00 3.11 H new ATOM 0 HD13 LEU A 66 8.310 -7.337 -0.326 1.00 3.11 H new ATOM 0 HD21 LEU A 66 7.875 -4.647 0.897 1.00 10.33 H new ATOM 0 HD22 LEU A 66 9.399 -5.099 0.097 1.00 10.33 H new ATOM 0 HD23 LEU A 66 8.539 -3.621 -0.397 1.00 10.33 H new ATOM 1040 N GLN A 67 10.693 -5.902 -4.701 1.00 52.52 N ATOM 1041 CA GLN A 67 10.928 -5.952 -6.140 1.00 3.32 C ATOM 1042 C GLN A 67 11.904 -7.059 -6.538 1.00 14.34 C ATOM 1043 O GLN A 67 12.332 -7.085 -7.695 1.00 32.13 O ATOM 1044 CB GLN A 67 11.473 -4.583 -6.569 1.00 50.54 C ATOM 1045 CG GLN A 67 10.407 -3.495 -6.414 1.00 10.54 C ATOM 1046 CD GLN A 67 9.343 -3.466 -7.498 1.00 61.13 C ATOM 1047 OE1 GLN A 67 8.307 -2.680 -7.269 1.00 11.44 O flip ATOM 1048 NE2 GLN A 67 9.430 -4.130 -8.532 1.00 51.52 N flip ATOM 0 H GLN A 67 11.296 -5.236 -4.218 1.00 52.52 H new ATOM 0 HA GLN A 67 9.989 -6.180 -6.644 1.00 3.32 H new ATOM 0 HB2 GLN A 67 12.346 -4.330 -5.967 1.00 50.54 H new ATOM 0 HB3 GLN A 67 11.804 -4.628 -7.607 1.00 50.54 H new ATOM 0 HG2 GLN A 67 9.916 -3.626 -5.450 1.00 10.54 H new ATOM 0 HG3 GLN A 67 10.903 -2.525 -6.390 1.00 10.54 H new ATOM 0 HE21 GLN A 67 10.240 -4.730 -8.686 1.00 51.52 H new ATOM 0 HE22 GLN A 67 8.692 -4.080 -9.234 1.00 51.52 H new ATOM 1057 N ALA A 68 12.209 -7.990 -5.630 1.00 54.32 N ATOM 1058 CA ALA A 68 13.207 -9.024 -5.850 1.00 61.31 C ATOM 1059 C ALA A 68 12.786 -10.374 -5.254 1.00 71.01 C ATOM 1060 O ALA A 68 13.641 -11.247 -5.075 1.00 24.40 O ATOM 1061 CB ALA A 68 14.522 -8.539 -5.225 1.00 5.22 C ATOM 0 H ALA A 68 11.762 -8.042 -4.715 1.00 54.32 H new ATOM 0 HA ALA A 68 13.325 -9.191 -6.921 1.00 61.31 H new ATOM 0 HB1 ALA A 68 15.295 -9.293 -5.372 1.00 5.22 H new ATOM 0 HB2 ALA A 68 14.829 -7.607 -5.700 1.00 5.22 H new ATOM 0 HB3 ALA A 68 14.378 -8.371 -4.158 1.00 5.22 H new ATOM 1067 N LEU A 69 11.508 -10.537 -4.895 1.00 24.42 N ATOM 1068 CA LEU A 69 11.005 -11.652 -4.093 1.00 33.01 C ATOM 1069 C LEU A 69 9.618 -12.113 -4.546 1.00 50.32 C ATOM 1070 O LEU A 69 9.068 -11.606 -5.523 1.00 34.00 O ATOM 1071 CB LEU A 69 11.070 -11.310 -2.589 1.00 65.01 C ATOM 1072 CG LEU A 69 10.273 -10.068 -2.144 1.00 3.11 C ATOM 1073 CD1 LEU A 69 8.759 -10.224 -2.168 1.00 42.24 C ATOM 1074 CD2 LEU A 69 10.687 -9.684 -0.725 1.00 21.33 C ATOM 0 H LEU A 69 10.777 -9.878 -5.163 1.00 24.42 H new ATOM 0 HA LEU A 69 11.658 -12.509 -4.256 1.00 33.01 H new ATOM 0 HB2 LEU A 69 10.709 -12.170 -2.025 1.00 65.01 H new ATOM 0 HB3 LEU A 69 12.115 -11.164 -2.314 1.00 65.01 H new ATOM 0 HG LEU A 69 10.515 -9.298 -2.876 1.00 3.11 H new ATOM 0 HD11 LEU A 69 8.292 -9.296 -1.838 1.00 42.24 H new ATOM 0 HD12 LEU A 69 8.433 -10.453 -3.182 1.00 42.24 H new ATOM 0 HD13 LEU A 69 8.466 -11.035 -1.501 1.00 42.24 H new ATOM 0 HD21 LEU A 69 10.125 -8.806 -0.407 1.00 21.33 H new ATOM 0 HD22 LEU A 69 10.478 -10.513 -0.048 1.00 21.33 H new ATOM 0 HD23 LEU A 69 11.753 -9.459 -0.705 1.00 21.33 H new ATOM 1086 N HIS A 70 9.078 -13.107 -3.846 1.00 71.14 N ATOM 1087 CA HIS A 70 7.823 -13.785 -4.139 1.00 25.00 C ATOM 1088 C HIS A 70 6.595 -12.850 -4.032 1.00 23.41 C ATOM 1089 O HIS A 70 6.566 -11.954 -3.186 1.00 71.04 O ATOM 1090 CB HIS A 70 7.726 -15.024 -3.229 1.00 45.53 C ATOM 1091 CG HIS A 70 8.149 -14.818 -1.791 1.00 12.31 C ATOM 1092 ND1 HIS A 70 9.440 -14.858 -1.301 1.00 5.20 N ATOM 1093 CD2 HIS A 70 7.314 -14.637 -0.724 1.00 53.53 C ATOM 1094 CE1 HIS A 70 9.379 -14.695 0.031 1.00 71.31 C ATOM 1095 NE2 HIS A 70 8.106 -14.562 0.426 1.00 4.43 N ATOM 0 H HIS A 70 9.532 -13.480 -3.012 1.00 71.14 H new ATOM 0 HA HIS A 70 7.817 -14.106 -5.181 1.00 25.00 H new ATOM 0 HB2 HIS A 70 6.695 -15.378 -3.238 1.00 45.53 H new ATOM 0 HB3 HIS A 70 8.339 -15.816 -3.659 1.00 45.53 H new ATOM 0 HD1 HIS A 70 10.288 -14.988 -1.852 1.00 5.20 H new ATOM 0 HD2 HIS A 70 6.237 -14.565 -0.762 1.00 53.53 H new ATOM 0 HE1 HIS A 70 10.235 -14.674 0.690 1.00 71.31 H new ATOM 1103 N PRO A 71 5.566 -13.040 -4.879 1.00 31.41 N ATOM 1104 CA PRO A 71 4.489 -12.068 -5.049 1.00 3.31 C ATOM 1105 C PRO A 71 3.595 -11.923 -3.808 1.00 41.45 C ATOM 1106 O PRO A 71 3.567 -12.806 -2.944 1.00 61.04 O ATOM 1107 CB PRO A 71 3.682 -12.530 -6.268 1.00 23.12 C ATOM 1108 CG PRO A 71 4.030 -14.006 -6.411 1.00 34.12 C ATOM 1109 CD PRO A 71 5.446 -14.103 -5.862 1.00 12.52 C ATOM 0 HA PRO A 71 4.912 -11.074 -5.196 1.00 3.31 H new ATOM 0 HB2 PRO A 71 2.612 -12.386 -6.115 1.00 23.12 H new ATOM 0 HB3 PRO A 71 3.954 -11.968 -7.162 1.00 23.12 H new ATOM 0 HG2 PRO A 71 3.340 -14.635 -5.849 1.00 34.12 H new ATOM 0 HG3 PRO A 71 3.982 -14.329 -7.451 1.00 34.12 H new ATOM 0 HD2 PRO A 71 5.622 -15.078 -5.407 1.00 12.52 H new ATOM 0 HD3 PRO A 71 6.182 -13.985 -6.657 1.00 12.52 H new ATOM 1117 N PRO A 72 2.812 -10.833 -3.724 1.00 13.30 N ATOM 1118 CA PRO A 72 2.021 -10.522 -2.543 1.00 41.05 C ATOM 1119 C PRO A 72 0.881 -11.522 -2.336 1.00 72.53 C ATOM 1120 O PRO A 72 0.296 -12.046 -3.291 1.00 65.23 O ATOM 1121 CB PRO A 72 1.497 -9.100 -2.766 1.00 11.20 C ATOM 1122 CG PRO A 72 1.566 -8.879 -4.272 1.00 24.50 C ATOM 1123 CD PRO A 72 2.737 -9.752 -4.698 1.00 21.00 C ATOM 0 HA PRO A 72 2.621 -10.590 -1.635 1.00 41.05 H new ATOM 0 HB2 PRO A 72 0.476 -8.995 -2.399 1.00 11.20 H new ATOM 0 HB3 PRO A 72 2.104 -8.369 -2.233 1.00 11.20 H new ATOM 0 HG2 PRO A 72 0.641 -9.177 -4.766 1.00 24.50 H new ATOM 0 HG3 PRO A 72 1.735 -7.831 -4.518 1.00 24.50 H new ATOM 0 HD2 PRO A 72 2.585 -10.144 -5.704 1.00 21.00 H new ATOM 0 HD3 PRO A 72 3.664 -9.179 -4.716 1.00 21.00 H new ATOM 1131 N LEU A 73 0.488 -11.708 -1.077 1.00 45.04 N ATOM 1132 CA LEU A 73 -0.626 -12.527 -0.627 1.00 32.44 C ATOM 1133 C LEU A 73 -1.876 -11.642 -0.644 1.00 70.11 C ATOM 1134 O LEU A 73 -1.807 -10.448 -0.340 1.00 22.21 O ATOM 1135 CB LEU A 73 -0.261 -13.053 0.775 1.00 41.02 C ATOM 1136 CG LEU A 73 -1.040 -14.258 1.326 1.00 62.52 C ATOM 1137 CD1 LEU A 73 -2.502 -13.975 1.644 1.00 34.40 C ATOM 1138 CD2 LEU A 73 -0.991 -15.448 0.371 1.00 21.31 C ATOM 0 H LEU A 73 0.972 -11.261 -0.299 1.00 45.04 H new ATOM 0 HA LEU A 73 -0.828 -13.390 -1.262 1.00 32.44 H new ATOM 0 HB2 LEU A 73 0.797 -13.316 0.766 1.00 41.02 H new ATOM 0 HB3 LEU A 73 -0.379 -12.230 1.480 1.00 41.02 H new ATOM 0 HG LEU A 73 -0.531 -14.488 2.262 1.00 62.52 H new ATOM 0 HD11 LEU A 73 -2.973 -14.880 2.027 1.00 34.40 H new ATOM 0 HD12 LEU A 73 -2.565 -13.188 2.395 1.00 34.40 H new ATOM 0 HD13 LEU A 73 -3.016 -13.654 0.738 1.00 34.40 H new ATOM 0 HD21 LEU A 73 -1.553 -16.279 0.796 1.00 21.31 H new ATOM 0 HD22 LEU A 73 -1.430 -15.165 -0.586 1.00 21.31 H new ATOM 0 HD23 LEU A 73 0.045 -15.750 0.219 1.00 21.31 H new ATOM 1150 N THR A 74 -2.981 -12.151 -1.174 1.00 11.02 N ATOM 1151 CA THR A 74 -4.235 -11.407 -1.324 1.00 24.34 C ATOM 1152 C THR A 74 -5.054 -11.448 -0.025 1.00 21.50 C ATOM 1153 O THR A 74 -4.843 -12.301 0.829 1.00 14.44 O ATOM 1154 CB THR A 74 -4.989 -11.908 -2.556 1.00 44.12 C ATOM 1155 OG1 THR A 74 -6.182 -11.184 -2.645 1.00 65.14 O ATOM 1156 CG2 THR A 74 -5.267 -13.397 -2.632 1.00 12.24 C ATOM 0 H THR A 74 -3.037 -13.109 -1.519 1.00 11.02 H new ATOM 0 HA THR A 74 -4.026 -10.352 -1.498 1.00 24.34 H new ATOM 0 HB THR A 74 -4.324 -11.741 -3.403 1.00 44.12 H new ATOM 0 HG1 THR A 74 -5.980 -10.238 -2.802 1.00 65.14 H new ATOM 0 HG21 THR A 74 -5.806 -13.620 -3.553 1.00 12.24 H new ATOM 0 HG22 THR A 74 -4.324 -13.944 -2.622 1.00 12.24 H new ATOM 0 HG23 THR A 74 -5.870 -13.699 -1.776 1.00 12.24 H new ATOM 1164 N ILE A 75 -6.011 -10.527 0.133 1.00 2.31 N ATOM 1165 CA ILE A 75 -6.854 -10.427 1.318 1.00 13.11 C ATOM 1166 C ILE A 75 -8.338 -10.284 0.928 1.00 73.11 C ATOM 1167 O ILE A 75 -9.178 -9.972 1.765 1.00 61.54 O ATOM 1168 CB ILE A 75 -6.353 -9.266 2.218 1.00 24.23 C ATOM 1169 CG1 ILE A 75 -4.823 -9.013 2.220 1.00 51.45 C ATOM 1170 CG2 ILE A 75 -6.751 -9.580 3.667 1.00 73.31 C ATOM 1171 CD1 ILE A 75 -4.254 -8.073 1.157 1.00 61.32 C ATOM 0 H ILE A 75 -6.221 -9.821 -0.573 1.00 2.31 H new ATOM 0 HA ILE A 75 -6.780 -11.347 1.897 1.00 13.11 H new ATOM 0 HB ILE A 75 -6.813 -8.369 1.803 1.00 24.23 H new ATOM 0 HG12 ILE A 75 -4.551 -8.616 3.198 1.00 51.45 H new ATOM 0 HG13 ILE A 75 -4.324 -9.977 2.116 1.00 51.45 H new ATOM 0 HG21 ILE A 75 -6.409 -8.777 4.320 1.00 73.31 H new ATOM 0 HG22 ILE A 75 -7.835 -9.667 3.736 1.00 73.31 H new ATOM 0 HG23 ILE A 75 -6.291 -10.519 3.975 1.00 73.31 H new ATOM 0 HD11 ILE A 75 -3.174 -7.993 1.282 1.00 61.32 H new ATOM 0 HD12 ILE A 75 -4.476 -8.468 0.166 1.00 61.32 H new ATOM 0 HD13 ILE A 75 -4.706 -7.087 1.264 1.00 61.32 H new ATOM 1183 N ASP A 76 -8.683 -10.544 -0.335 1.00 34.14 N ATOM 1184 CA ASP A 76 -10.069 -10.629 -0.829 1.00 23.21 C ATOM 1185 C ASP A 76 -10.012 -11.149 -2.273 1.00 50.03 C ATOM 1186 O ASP A 76 -10.595 -10.572 -3.195 1.00 3.32 O ATOM 1187 CB ASP A 76 -10.805 -9.269 -0.724 1.00 72.23 C ATOM 1188 CG ASP A 76 -12.172 -9.360 -0.035 1.00 14.32 C ATOM 1189 OD1 ASP A 76 -12.260 -8.987 1.159 1.00 61.25 O ATOM 1190 OD2 ASP A 76 -13.192 -9.586 -0.725 1.00 2.01 O ATOM 0 H ASP A 76 -7.991 -10.706 -1.066 1.00 34.14 H new ATOM 0 HA ASP A 76 -10.647 -11.315 -0.211 1.00 23.21 H new ATOM 0 HB2 ASP A 76 -10.177 -8.567 -0.175 1.00 72.23 H new ATOM 0 HB3 ASP A 76 -10.939 -8.860 -1.725 1.00 72.23 H new ATOM 1195 N GLY A 77 -9.143 -12.132 -2.535 1.00 42.11 N ATOM 1196 CA GLY A 77 -8.944 -12.672 -3.877 1.00 3.04 C ATOM 1197 C GLY A 77 -8.231 -11.731 -4.857 1.00 71.45 C ATOM 1198 O GLY A 77 -7.837 -12.183 -5.931 1.00 61.22 O ATOM 0 H GLY A 77 -8.561 -12.572 -1.822 1.00 42.11 H new ATOM 0 HA2 GLY A 77 -8.369 -13.594 -3.799 1.00 3.04 H new ATOM 0 HA3 GLY A 77 -9.916 -12.937 -4.293 1.00 3.04 H new ATOM 1202 N LYS A 78 -8.089 -10.433 -4.552 1.00 72.45 N ATOM 1203 CA LYS A 78 -7.405 -9.437 -5.380 1.00 72.54 C ATOM 1204 C LYS A 78 -5.899 -9.444 -5.125 1.00 52.21 C ATOM 1205 O LYS A 78 -5.485 -9.026 -4.039 1.00 42.11 O ATOM 1206 CB LYS A 78 -7.977 -8.029 -5.137 1.00 1.23 C ATOM 1207 CG LYS A 78 -8.662 -7.699 -3.812 1.00 11.03 C ATOM 1208 CD LYS A 78 -7.876 -7.983 -2.538 1.00 54.33 C ATOM 1209 CE LYS A 78 -6.883 -6.880 -2.187 1.00 34.41 C ATOM 1210 NZ LYS A 78 -7.050 -6.444 -0.784 1.00 30.23 N ATOM 0 H LYS A 78 -8.462 -10.036 -3.690 1.00 72.45 H new ATOM 0 HA LYS A 78 -7.577 -9.707 -6.422 1.00 72.54 H new ATOM 0 HB2 LYS A 78 -7.158 -7.321 -5.263 1.00 1.23 H new ATOM 0 HB3 LYS A 78 -8.696 -7.830 -5.932 1.00 1.23 H new ATOM 0 HG2 LYS A 78 -8.923 -6.641 -3.820 1.00 11.03 H new ATOM 0 HG3 LYS A 78 -9.597 -8.258 -3.765 1.00 11.03 H new ATOM 0 HD2 LYS A 78 -8.573 -8.113 -1.710 1.00 54.33 H new ATOM 0 HD3 LYS A 78 -7.338 -8.924 -2.653 1.00 54.33 H new ATOM 0 HE2 LYS A 78 -5.865 -7.239 -2.341 1.00 34.41 H new ATOM 0 HE3 LYS A 78 -7.026 -6.031 -2.855 1.00 34.41 H new ATOM 0 HZ1 LYS A 78 -6.236 -5.862 -0.502 1.00 30.23 H new ATOM 0 HZ2 LYS A 78 -7.922 -5.885 -0.696 1.00 30.23 H new ATOM 0 HZ3 LYS A 78 -7.110 -7.278 -0.166 1.00 30.23 H new ATOM 1224 N THR A 79 -5.055 -9.921 -6.030 1.00 31.53 N ATOM 1225 CA THR A 79 -3.623 -9.859 -5.764 1.00 45.03 C ATOM 1226 C THR A 79 -3.145 -8.402 -5.822 1.00 30.54 C ATOM 1227 O THR A 79 -3.465 -7.682 -6.761 1.00 43.42 O ATOM 1228 CB THR A 79 -2.828 -10.758 -6.713 1.00 33.52 C ATOM 1229 OG1 THR A 79 -3.616 -11.802 -7.263 1.00 2.02 O ATOM 1230 CG2 THR A 79 -1.707 -11.403 -5.904 1.00 22.50 C ATOM 0 H THR A 79 -5.321 -10.340 -6.921 1.00 31.53 H new ATOM 0 HA THR A 79 -3.442 -10.241 -4.759 1.00 45.03 H new ATOM 0 HB THR A 79 -2.462 -10.143 -7.535 1.00 33.52 H new ATOM 0 HG1 THR A 79 -3.065 -12.347 -7.863 1.00 2.02 H new ATOM 0 HG21 THR A 79 -1.118 -12.053 -6.552 1.00 22.50 H new ATOM 0 HG22 THR A 79 -1.065 -10.626 -5.489 1.00 22.50 H new ATOM 0 HG23 THR A 79 -2.136 -11.991 -5.093 1.00 22.50 H new ATOM 1238 N ILE A 80 -2.438 -7.930 -4.801 1.00 32.10 N ATOM 1239 CA ILE A 80 -1.962 -6.556 -4.702 1.00 74.11 C ATOM 1240 C ILE A 80 -0.907 -6.301 -5.793 1.00 65.53 C ATOM 1241 O ILE A 80 -0.374 -7.227 -6.412 1.00 65.45 O ATOM 1242 CB ILE A 80 -1.453 -6.299 -3.259 1.00 50.44 C ATOM 1243 CG1 ILE A 80 -2.484 -6.690 -2.172 1.00 51.14 C ATOM 1244 CG2 ILE A 80 -1.061 -4.831 -3.017 1.00 72.51 C ATOM 1245 CD1 ILE A 80 -3.750 -5.832 -2.179 1.00 13.02 C ATOM 0 H ILE A 80 -2.174 -8.506 -4.001 1.00 32.10 H new ATOM 0 HA ILE A 80 -2.765 -5.841 -4.881 1.00 74.11 H new ATOM 0 HB ILE A 80 -0.573 -6.937 -3.175 1.00 50.44 H new ATOM 0 HG12 ILE A 80 -2.764 -7.734 -2.310 1.00 51.14 H new ATOM 0 HG13 ILE A 80 -2.011 -6.614 -1.193 1.00 51.14 H new ATOM 0 HG21 ILE A 80 -0.713 -4.712 -1.991 1.00 72.51 H new ATOM 0 HG22 ILE A 80 -0.265 -4.549 -3.706 1.00 72.51 H new ATOM 0 HG23 ILE A 80 -1.928 -4.191 -3.183 1.00 72.51 H new ATOM 0 HD11 ILE A 80 -4.422 -6.168 -1.389 1.00 13.02 H new ATOM 0 HD12 ILE A 80 -3.483 -4.789 -2.009 1.00 13.02 H new ATOM 0 HD13 ILE A 80 -4.248 -5.927 -3.144 1.00 13.02 H new ATOM 1257 N ASN A 81 -0.600 -5.030 -6.033 1.00 54.22 N ATOM 1258 CA ASN A 81 0.502 -4.554 -6.863 1.00 4.22 C ATOM 1259 C ASN A 81 1.277 -3.516 -6.074 1.00 50.12 C ATOM 1260 O ASN A 81 0.695 -2.883 -5.194 1.00 34.41 O ATOM 1261 CB ASN A 81 -0.043 -3.897 -8.136 1.00 30.21 C ATOM 1262 CG ASN A 81 0.219 -4.751 -9.348 1.00 5.34 C ATOM 1263 OD1 ASN A 81 0.973 -4.370 -10.231 1.00 65.13 O ATOM 1264 ND2 ASN A 81 -0.402 -5.909 -9.407 1.00 14.23 N ATOM 0 H ASN A 81 -1.142 -4.264 -5.633 1.00 54.22 H new ATOM 0 HA ASN A 81 1.141 -5.393 -7.138 1.00 4.22 H new ATOM 0 HB2 ASN A 81 -1.115 -3.730 -8.031 1.00 30.21 H new ATOM 0 HB3 ASN A 81 0.420 -2.920 -8.270 1.00 30.21 H new ATOM 0 HD21 ASN A 81 -0.261 -6.523 -10.209 1.00 14.23 H new ATOM 0 HD22 ASN A 81 -1.024 -6.193 -8.650 1.00 14.23 H new ATOM 1271 N VAL A 82 2.533 -3.294 -6.449 1.00 24.00 N ATOM 1272 CA VAL A 82 3.478 -2.405 -5.782 1.00 22.00 C ATOM 1273 C VAL A 82 3.991 -1.396 -6.816 1.00 1.21 C ATOM 1274 O VAL A 82 4.058 -1.691 -8.013 1.00 3.52 O ATOM 1275 CB VAL A 82 4.624 -3.257 -5.169 1.00 51.22 C ATOM 1276 CG1 VAL A 82 5.616 -2.424 -4.337 1.00 54.32 C ATOM 1277 CG2 VAL A 82 4.083 -4.379 -4.263 1.00 4.22 C ATOM 0 H VAL A 82 2.939 -3.751 -7.266 1.00 24.00 H new ATOM 0 HA VAL A 82 3.009 -1.853 -4.967 1.00 22.00 H new ATOM 0 HB VAL A 82 5.144 -3.680 -6.029 1.00 51.22 H new ATOM 0 HG11 VAL A 82 6.392 -3.076 -3.936 1.00 54.32 H new ATOM 0 HG12 VAL A 82 6.073 -1.663 -4.970 1.00 54.32 H new ATOM 0 HG13 VAL A 82 5.087 -1.942 -3.515 1.00 54.32 H new ATOM 0 HG21 VAL A 82 4.916 -4.951 -3.855 1.00 4.22 H new ATOM 0 HG22 VAL A 82 3.508 -3.942 -3.446 1.00 4.22 H new ATOM 0 HG23 VAL A 82 3.441 -5.039 -4.846 1.00 4.22 H new ATOM 1287 N GLU A 83 4.375 -0.207 -6.363 1.00 15.34 N ATOM 1288 CA GLU A 83 5.100 0.807 -7.104 1.00 43.42 C ATOM 1289 C GLU A 83 5.936 1.657 -6.166 1.00 61.03 C ATOM 1290 O GLU A 83 5.881 1.526 -4.948 1.00 41.40 O ATOM 1291 CB GLU A 83 4.172 1.684 -7.961 1.00 23.42 C ATOM 1292 CG GLU A 83 2.734 1.792 -7.536 1.00 24.02 C ATOM 1293 CD GLU A 83 1.897 2.662 -8.487 1.00 74.04 C ATOM 1294 OE1 GLU A 83 2.418 3.172 -9.508 1.00 35.11 O ATOM 1295 OE2 GLU A 83 0.676 2.802 -8.274 1.00 62.42 O ATOM 0 H GLU A 83 4.173 0.088 -5.408 1.00 15.34 H new ATOM 0 HA GLU A 83 5.766 0.287 -7.793 1.00 43.42 H new ATOM 0 HB2 GLU A 83 4.591 2.690 -7.990 1.00 23.42 H new ATOM 0 HB3 GLU A 83 4.194 1.301 -8.981 1.00 23.42 H new ATOM 0 HG2 GLU A 83 2.299 0.794 -7.486 1.00 24.02 H new ATOM 0 HG3 GLU A 83 2.687 2.211 -6.531 1.00 24.02 H new ATOM 1302 N PHE A 84 6.705 2.546 -6.774 1.00 11.54 N ATOM 1303 CA PHE A 84 7.700 3.392 -6.133 1.00 35.35 C ATOM 1304 C PHE A 84 7.508 4.800 -6.677 1.00 4.41 C ATOM 1305 O PHE A 84 8.060 5.166 -7.719 1.00 13.23 O ATOM 1306 CB PHE A 84 9.106 2.818 -6.379 1.00 22.22 C ATOM 1307 CG PHE A 84 10.246 3.420 -5.565 1.00 14.52 C ATOM 1308 CD1 PHE A 84 10.115 3.621 -4.174 1.00 63.23 C ATOM 1309 CD2 PHE A 84 11.477 3.713 -6.187 1.00 20.22 C ATOM 1310 CE1 PHE A 84 11.193 4.126 -3.425 1.00 54.10 C ATOM 1311 CE2 PHE A 84 12.561 4.204 -5.436 1.00 15.45 C ATOM 1312 CZ PHE A 84 12.418 4.410 -4.052 1.00 13.14 C ATOM 0 H PHE A 84 6.649 2.705 -7.780 1.00 11.54 H new ATOM 0 HA PHE A 84 7.583 3.425 -5.050 1.00 35.35 H new ATOM 0 HB2 PHE A 84 9.075 1.747 -6.180 1.00 22.22 H new ATOM 0 HB3 PHE A 84 9.342 2.939 -7.436 1.00 22.22 H new ATOM 0 HD1 PHE A 84 9.183 3.386 -3.683 1.00 63.23 H new ATOM 0 HD2 PHE A 84 11.589 3.559 -7.250 1.00 20.22 H new ATOM 0 HE1 PHE A 84 11.079 4.296 -2.365 1.00 54.10 H new ATOM 0 HE2 PHE A 84 13.501 4.422 -5.921 1.00 15.45 H new ATOM 0 HZ PHE A 84 13.248 4.786 -3.472 1.00 13.14 H new ATOM 1322 N ALA A 85 6.650 5.571 -6.015 1.00 44.43 N ATOM 1323 CA ALA A 85 6.422 6.977 -6.298 1.00 32.33 C ATOM 1324 C ALA A 85 7.457 7.777 -5.510 1.00 62.23 C ATOM 1325 O ALA A 85 7.125 8.514 -4.582 1.00 54.13 O ATOM 1326 CB ALA A 85 4.980 7.338 -5.931 1.00 42.33 C ATOM 0 H ALA A 85 6.080 5.221 -5.245 1.00 44.43 H new ATOM 0 HA ALA A 85 6.541 7.209 -7.356 1.00 32.33 H new ATOM 0 HB1 ALA A 85 4.804 8.393 -6.142 1.00 42.33 H new ATOM 0 HB2 ALA A 85 4.292 6.731 -6.519 1.00 42.33 H new ATOM 0 HB3 ALA A 85 4.816 7.148 -4.870 1.00 42.33 H new ATOM 1332 N LYS A 86 8.739 7.598 -5.839 1.00 22.21 N ATOM 1333 CA LYS A 86 9.817 8.344 -5.206 1.00 2.51 C ATOM 1334 C LYS A 86 9.851 9.713 -5.881 1.00 75.01 C ATOM 1335 O LYS A 86 10.715 9.974 -6.721 1.00 32.23 O ATOM 1336 CB LYS A 86 11.126 7.531 -5.280 1.00 54.40 C ATOM 1337 CG LYS A 86 12.083 7.809 -4.107 1.00 40.53 C ATOM 1338 CD LYS A 86 12.760 9.183 -4.085 1.00 21.45 C ATOM 1339 CE LYS A 86 13.725 9.303 -5.271 1.00 43.53 C ATOM 1340 NZ LYS A 86 14.735 10.364 -5.087 1.00 72.32 N ATOM 0 H LYS A 86 9.052 6.935 -6.548 1.00 22.21 H new ATOM 0 HA LYS A 86 9.667 8.509 -4.139 1.00 2.51 H new ATOM 0 HB2 LYS A 86 10.885 6.468 -5.299 1.00 54.40 H new ATOM 0 HB3 LYS A 86 11.635 7.759 -6.217 1.00 54.40 H new ATOM 0 HG2 LYS A 86 11.527 7.688 -3.177 1.00 40.53 H new ATOM 0 HG3 LYS A 86 12.861 7.046 -4.114 1.00 40.53 H new ATOM 0 HD2 LYS A 86 12.008 9.970 -4.135 1.00 21.45 H new ATOM 0 HD3 LYS A 86 13.301 9.318 -3.148 1.00 21.45 H new ATOM 0 HE2 LYS A 86 14.231 8.349 -5.419 1.00 43.53 H new ATOM 0 HE3 LYS A 86 13.155 9.505 -6.178 1.00 43.53 H new ATOM 0 HZ1 LYS A 86 15.501 10.238 -5.779 1.00 72.32 H new ATOM 0 HZ2 LYS A 86 14.291 11.294 -5.227 1.00 72.32 H new ATOM 0 HZ3 LYS A 86 15.126 10.308 -4.125 1.00 72.32 H new ATOM 1354 N GLY A 87 8.885 10.569 -5.545 1.00 43.43 N ATOM 1355 CA GLY A 87 8.647 11.864 -6.161 1.00 34.43 C ATOM 1356 C GLY A 87 9.684 12.869 -5.691 1.00 31.31 C ATOM 1357 O GLY A 87 9.368 13.765 -4.904 1.00 34.33 O ATOM 0 H GLY A 87 8.219 10.363 -4.800 1.00 43.43 H new ATOM 0 HA2 GLY A 87 8.686 11.771 -7.246 1.00 34.43 H new ATOM 0 HA3 GLY A 87 7.647 12.217 -5.907 1.00 34.43 H new ATOM 1361 N SER A 88 10.917 12.707 -6.173 1.00 40.30 N ATOM 1362 CA SER A 88 12.063 13.543 -5.856 1.00 73.41 C ATOM 1363 C SER A 88 11.706 15.011 -6.045 1.00 52.53 C ATOM 1364 O SER A 88 12.153 15.808 -5.194 1.00 41.12 O ATOM 1365 CB SER A 88 13.267 13.104 -6.704 1.00 3.42 C ATOM 1366 OG SER A 88 14.465 13.273 -5.962 1.00 55.31 O ATOM 0 H SER A 88 11.148 11.955 -6.823 1.00 40.30 H new ATOM 0 HA SER A 88 12.343 13.422 -4.810 1.00 73.41 H new ATOM 0 HB2 SER A 88 13.155 12.061 -6.998 1.00 3.42 H new ATOM 0 HB3 SER A 88 13.311 13.691 -7.621 1.00 3.42 H new ATOM 0 HG SER A 88 15.229 12.990 -6.506 1.00 55.31 H new TER 1372 SER A 88