USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 61 HIS : no HE2:sc= 0.78 K(o=2,f=-18!) USER MOD Set 1.2: A 63 GLN : amide:sc= 1.24 K(o=2,f=-7.7!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -147:sc= -2.62! (180deg=-5.43!) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= -1.56! USER MOD Set 3.1: A 48 ASN :FLIP amide:sc= -0.68 F(o=-2.6!,f=0.42) USER MOD Set 3.2: A 52 SER OG : rot 55:sc= 1.1 USER MOD Set 4.1: A 34 ASN :FLIP amide:sc= -3.16! C(o=-6.7!,f=-4.9!) USER MOD Set 4.2: A 35 LYS NZ :NH3+ -139:sc= -1.69! (180deg=-1.09!) USER MOD Set 5.1: A 28 THR OG1 : rot -93:sc= 0.988 USER MOD Set 5.2: A 75 THR OG1 : rot 180:sc= -0.196 USER MOD Set 6.1: A 6 LYS NZ :NH3+ -100:sc= -5.73! (180deg=-10.9!) USER MOD Set 6.2: A 9 SER OG : rot 180:sc= 0.653 USER MOD Set 7.1: A 3 TYR OH : rot 46:sc= -0.442 USER MOD Set 7.2: A 24 LYS NZ :NH3+ 163:sc= -0.28 (180deg=-1.4!) USER MOD Single : A 1 GLU N :NH3+ 150:sc= -1.25! (180deg=-3.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 4 THR OG1 : rot -66:sc= 0.811 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 0.145 (180deg=-2.11!) USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= 0.895 (180deg=-0.755) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.35 K(o=-3.3,f=-4.4) USER MOD Single : A 40 ASN : amide:sc= 1.07 K(o=1.1,f=-1.6) USER MOD Single : A 51 LYS NZ :NH3+ 132:sc= 1.3 (180deg=-0.948!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -87:sc= -2.36! USER MOD Single : A 62 LYS NZ :NH3+ -136:sc= 1.68 (180deg=-0.941!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.0269 K(o=0.027,f=-5!) USER MOD Single : A 71 SER OG : rot 50:sc= 0.976 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 48:sc= -0.241 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -15:sc= 1.22 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 97 MET CE :methyl -119:sc= -2.09 (180deg=-11.1!) USER MOD Single : A 100 LYS NZ :NH3+ -130:sc= 1.18 (180deg=-0.0748) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.161 -5.875 -16.552 1.00 0.00 N ATOM 2 CA GLU A 1 -2.777 -5.378 -16.707 1.00 0.00 C ATOM 3 C GLU A 1 -2.775 -3.994 -16.066 1.00 0.00 C ATOM 4 O GLU A 1 -3.587 -3.762 -15.202 1.00 0.00 O ATOM 5 CB GLU A 1 -2.432 -5.383 -18.260 1.00 0.00 C ATOM 6 CG GLU A 1 -3.712 -5.050 -19.130 1.00 0.00 C ATOM 7 CD GLU A 1 -4.595 -4.029 -18.446 1.00 0.00 C ATOM 8 OE1 GLU A 1 -4.106 -2.926 -18.359 1.00 0.00 O ATOM 9 OE2 GLU A 1 -5.650 -4.501 -18.050 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.391 -6.513 -17.341 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.246 -6.391 -15.653 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.821 -5.071 -16.553 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.010 -5.985 -16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -1.650 -4.652 -18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.039 -6.359 -18.545 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.403 -4.671 -20.104 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -4.280 -5.963 -19.308 1.00 0.00 H new ATOM 18 N THR A 2 -1.903 -3.141 -16.488 1.00 0.00 N ATOM 19 CA THR A 2 -1.718 -1.707 -15.987 1.00 0.00 C ATOM 20 C THR A 2 -2.917 -0.972 -15.360 1.00 0.00 C ATOM 21 O THR A 2 -3.438 0.000 -15.863 1.00 0.00 O ATOM 22 CB THR A 2 -1.181 -0.820 -17.151 1.00 0.00 C ATOM 23 OG1 THR A 2 -1.395 -1.605 -18.315 1.00 0.00 O ATOM 24 CG2 THR A 2 0.313 -0.734 -17.153 1.00 0.00 C ATOM 0 H THR A 2 -1.240 -3.378 -17.226 1.00 0.00 H new ATOM 0 HA THR A 2 -1.026 -1.843 -15.156 1.00 0.00 H new ATOM 0 HB THR A 2 -1.646 0.163 -17.082 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.082 -1.113 -19.103 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.640 -0.106 -17.982 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.654 -0.301 -16.213 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.735 -1.733 -17.266 1.00 0.00 H new ATOM 32 N TYR A 3 -3.343 -1.457 -14.230 1.00 0.00 N ATOM 33 CA TYR A 3 -4.497 -0.798 -13.540 1.00 0.00 C ATOM 34 C TYR A 3 -3.985 0.432 -12.740 1.00 0.00 C ATOM 35 O TYR A 3 -3.183 0.322 -11.831 1.00 0.00 O ATOM 36 CB TYR A 3 -5.179 -1.852 -12.605 1.00 0.00 C ATOM 37 CG TYR A 3 -5.680 -3.053 -13.427 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.356 -2.864 -14.613 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.459 -4.346 -13.004 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.800 -3.932 -15.362 1.00 0.00 C ATOM 41 CE2 TYR A 3 -5.911 -5.406 -13.764 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.580 -5.212 -14.943 1.00 0.00 C ATOM 43 OH TYR A 3 -7.003 -6.268 -15.723 1.00 0.00 O ATOM 0 H TYR A 3 -2.952 -2.270 -13.755 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.233 -0.442 -14.261 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.470 -2.191 -11.850 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.013 -1.392 -12.075 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.541 -1.859 -14.962 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.933 -4.530 -12.079 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.326 -3.755 -16.288 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.732 -6.414 -13.420 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.752 -6.106 -16.656 1.00 0.00 H new ATOM 53 N THR A 4 -4.469 1.567 -13.152 1.00 0.00 N ATOM 54 CA THR A 4 -4.142 2.917 -12.551 1.00 0.00 C ATOM 55 C THR A 4 -4.398 3.121 -11.049 1.00 0.00 C ATOM 56 O THR A 4 -5.506 3.423 -10.644 1.00 0.00 O ATOM 57 CB THR A 4 -4.936 3.998 -13.299 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.660 3.780 -14.666 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.366 5.388 -13.103 1.00 0.00 C ATOM 0 H THR A 4 -5.123 1.629 -13.933 1.00 0.00 H new ATOM 0 HA THR A 4 -3.060 2.984 -12.663 1.00 0.00 H new ATOM 0 HB THR A 4 -5.972 3.942 -12.964 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.713 3.962 -14.842 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.968 6.109 -13.655 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.379 5.640 -12.043 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.340 5.416 -13.470 1.00 0.00 H new ATOM 67 N VAL A 5 -3.394 2.960 -10.237 1.00 0.00 N ATOM 68 CA VAL A 5 -3.568 3.154 -8.757 1.00 0.00 C ATOM 69 C VAL A 5 -3.074 4.585 -8.448 1.00 0.00 C ATOM 70 O VAL A 5 -2.035 5.041 -8.895 1.00 0.00 O ATOM 71 CB VAL A 5 -2.721 2.097 -7.996 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.925 2.267 -6.476 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.208 0.689 -8.362 1.00 0.00 C ATOM 0 H VAL A 5 -2.451 2.701 -10.528 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.605 3.031 -8.445 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.674 2.231 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.330 1.525 -5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.611 3.267 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.979 2.130 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.613 -0.052 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.256 0.583 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.101 0.535 -9.436 1.00 0.00 H new ATOM 83 N LYS A 6 -3.849 5.273 -7.664 1.00 0.00 N ATOM 84 CA LYS A 6 -3.523 6.682 -7.277 1.00 0.00 C ATOM 85 C LYS A 6 -3.198 6.820 -5.759 1.00 0.00 C ATOM 86 O LYS A 6 -3.982 6.478 -4.893 1.00 0.00 O ATOM 87 CB LYS A 6 -4.764 7.459 -7.749 1.00 0.00 C ATOM 88 CG LYS A 6 -4.510 8.972 -7.825 1.00 0.00 C ATOM 89 CD LYS A 6 -5.822 9.664 -8.348 1.00 0.00 C ATOM 90 CE LYS A 6 -7.010 9.461 -7.389 1.00 0.00 C ATOM 91 NZ LYS A 6 -6.573 10.021 -6.105 1.00 0.00 N ATOM 0 H LYS A 6 -4.716 4.915 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.612 7.070 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.067 7.094 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.592 7.266 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.240 9.362 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.676 9.184 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.641 10.731 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.076 9.262 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.902 9.968 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.261 8.405 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.266 9.251 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.780 10.675 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.362 10.534 -5.663 1.00 0.00 H new ATOM 105 N LEU A 7 -2.036 7.345 -5.504 1.00 0.00 N ATOM 106 CA LEU A 7 -1.523 7.559 -4.103 1.00 0.00 C ATOM 107 C LEU A 7 -1.757 8.997 -3.561 1.00 0.00 C ATOM 108 O LEU A 7 -0.894 9.842 -3.417 1.00 0.00 O ATOM 109 CB LEU A 7 -0.009 7.146 -4.156 1.00 0.00 C ATOM 110 CG LEU A 7 0.674 7.532 -5.487 1.00 0.00 C ATOM 111 CD1 LEU A 7 0.647 9.038 -5.655 1.00 0.00 C ATOM 112 CD2 LEU A 7 2.119 7.097 -5.448 1.00 0.00 C ATOM 0 H LEU A 7 -1.388 7.650 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.075 6.952 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.521 7.621 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.074 6.069 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 7 0.147 7.049 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.129 9.308 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.386 9.385 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.179 9.506 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.606 7.367 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.626 7.592 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.170 6.017 -5.311 1.00 0.00 H new ATOM 124 N GLY A 8 -2.998 9.211 -3.267 1.00 0.00 N ATOM 125 CA GLY A 8 -3.519 10.520 -2.725 1.00 0.00 C ATOM 126 C GLY A 8 -4.465 11.105 -3.754 1.00 0.00 C ATOM 127 O GLY A 8 -4.394 10.719 -4.904 1.00 0.00 O ATOM 0 H GLY A 8 -3.723 8.503 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.035 10.363 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.696 11.207 -2.529 1.00 0.00 H new ATOM 131 N SER A 9 -5.316 12.015 -3.379 1.00 0.00 N ATOM 132 CA SER A 9 -6.259 12.595 -4.417 1.00 0.00 C ATOM 133 C SER A 9 -5.958 14.051 -4.719 1.00 0.00 C ATOM 134 O SER A 9 -5.836 14.436 -5.869 1.00 0.00 O ATOM 135 CB SER A 9 -7.723 12.453 -3.932 1.00 0.00 C ATOM 136 OG SER A 9 -8.358 12.105 -5.164 1.00 0.00 O ATOM 0 H SER A 9 -5.412 12.384 -2.433 1.00 0.00 H new ATOM 0 HA SER A 9 -6.114 12.033 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.837 11.681 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.114 13.378 -3.508 1.00 0.00 H new ATOM 0 HG SER A 9 -9.318 11.977 -5.013 1.00 0.00 H new ATOM 142 N ASP A 10 -5.826 14.843 -3.703 1.00 0.00 N ATOM 143 CA ASP A 10 -5.521 16.289 -3.909 1.00 0.00 C ATOM 144 C ASP A 10 -4.344 16.823 -3.035 1.00 0.00 C ATOM 145 O ASP A 10 -3.550 16.036 -2.560 1.00 0.00 O ATOM 146 CB ASP A 10 -6.897 16.960 -3.681 1.00 0.00 C ATOM 147 CG ASP A 10 -6.797 18.414 -3.969 1.00 0.00 C ATOM 148 OD1 ASP A 10 -6.252 18.782 -4.993 1.00 0.00 O ATOM 149 OD2 ASP A 10 -7.261 19.152 -3.139 1.00 0.00 O ATOM 0 H ASP A 10 -5.916 14.555 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.124 16.515 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.647 16.502 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.223 16.804 -2.653 1.00 0.00 H new ATOM 154 N LYS A 11 -4.232 18.111 -2.836 1.00 0.00 N ATOM 155 CA LYS A 11 -3.101 18.647 -1.993 1.00 0.00 C ATOM 156 C LYS A 11 -3.539 18.751 -0.503 1.00 0.00 C ATOM 157 O LYS A 11 -2.979 19.460 0.305 1.00 0.00 O ATOM 158 CB LYS A 11 -2.680 20.051 -2.603 1.00 0.00 C ATOM 159 CG LYS A 11 -3.513 21.281 -2.091 1.00 0.00 C ATOM 160 CD LYS A 11 -5.022 21.213 -2.456 1.00 0.00 C ATOM 161 CE LYS A 11 -5.261 21.458 -3.941 1.00 0.00 C ATOM 162 NZ LYS A 11 -6.732 21.373 -4.150 1.00 0.00 N ATOM 0 H LYS A 11 -4.865 18.816 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.241 17.978 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.628 20.226 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.769 19.999 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.414 21.349 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.089 22.194 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.418 20.235 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.570 21.954 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.882 22.436 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.739 20.716 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.927 21.077 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.137 20.678 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.162 22.304 -3.978 1.00 0.00 H new ATOM 176 N GLY A 12 -4.562 17.991 -0.221 1.00 0.00 N ATOM 177 CA GLY A 12 -5.195 17.892 1.148 1.00 0.00 C ATOM 178 C GLY A 12 -5.312 16.452 1.672 1.00 0.00 C ATOM 179 O GLY A 12 -5.009 16.172 2.811 1.00 0.00 O ATOM 0 H GLY A 12 -5.016 17.399 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.607 18.479 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.189 18.338 1.112 1.00 0.00 H new ATOM 183 N LEU A 13 -5.751 15.554 0.832 1.00 0.00 N ATOM 184 CA LEU A 13 -5.904 14.117 1.255 1.00 0.00 C ATOM 185 C LEU A 13 -4.929 13.076 0.614 1.00 0.00 C ATOM 186 O LEU A 13 -4.948 12.802 -0.575 1.00 0.00 O ATOM 187 CB LEU A 13 -7.396 13.713 0.982 1.00 0.00 C ATOM 188 CG LEU A 13 -7.820 13.828 -0.505 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.003 12.877 -0.702 1.00 0.00 C ATOM 190 CD2 LEU A 13 -8.385 15.229 -0.785 1.00 0.00 C ATOM 0 H LEU A 13 -6.013 15.747 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.629 14.079 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.550 12.686 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.049 14.345 1.585 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.964 13.614 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.338 12.923 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.695 11.859 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.820 13.171 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.680 15.300 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.254 15.404 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.623 15.978 -0.571 1.00 0.00 H new ATOM 202 N LEU A 14 -4.111 12.520 1.465 1.00 0.00 N ATOM 203 CA LEU A 14 -3.088 11.489 1.068 1.00 0.00 C ATOM 204 C LEU A 14 -3.626 10.038 1.244 1.00 0.00 C ATOM 205 O LEU A 14 -3.076 9.209 1.941 1.00 0.00 O ATOM 206 CB LEU A 14 -1.833 11.737 1.952 1.00 0.00 C ATOM 207 CG LEU A 14 -1.102 13.038 1.581 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.064 13.316 2.668 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.303 12.813 0.294 1.00 0.00 C ATOM 0 H LEU A 14 -4.104 12.743 2.460 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.844 11.587 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.132 11.778 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.147 10.896 1.849 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.825 13.846 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.472 14.235 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.565 13.425 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.642 12.487 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.218 13.731 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.424 12.016 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.982 12.531 -0.511 1.00 0.00 H new ATOM 221 N VAL A 15 -4.707 9.767 0.575 1.00 0.00 N ATOM 222 CA VAL A 15 -5.350 8.403 0.648 1.00 0.00 C ATOM 223 C VAL A 15 -4.984 7.542 -0.585 1.00 0.00 C ATOM 224 O VAL A 15 -4.429 8.028 -1.547 1.00 0.00 O ATOM 225 CB VAL A 15 -6.886 8.650 0.758 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.679 7.334 0.875 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.185 9.462 2.031 1.00 0.00 C ATOM 0 H VAL A 15 -5.188 10.432 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.991 7.840 1.510 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.186 9.177 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.744 7.556 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.497 6.720 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.358 6.794 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.258 9.635 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.843 8.908 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.666 10.419 1.982 1.00 0.00 H new ATOM 237 N PHE A 16 -5.291 6.278 -0.546 1.00 0.00 N ATOM 238 CA PHE A 16 -4.972 5.376 -1.708 1.00 0.00 C ATOM 239 C PHE A 16 -6.252 4.937 -2.445 1.00 0.00 C ATOM 240 O PHE A 16 -7.109 4.251 -1.922 1.00 0.00 O ATOM 241 CB PHE A 16 -4.203 4.143 -1.182 1.00 0.00 C ATOM 242 CG PHE A 16 -2.683 4.371 -1.106 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.086 5.611 -0.989 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.876 3.261 -1.161 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.711 5.720 -0.931 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.504 3.365 -1.103 1.00 0.00 C ATOM 247 CZ PHE A 16 0.077 4.599 -0.988 1.00 0.00 C ATOM 0 H PHE A 16 -5.752 5.819 0.240 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.357 5.922 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.576 3.884 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.405 3.291 -1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.698 6.500 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.328 2.284 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.253 6.694 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.110 2.478 -1.148 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.152 4.690 -0.942 1.00 0.00 H new ATOM 257 N GLU A 17 -6.313 5.349 -3.671 1.00 0.00 N ATOM 258 CA GLU A 17 -7.472 5.050 -4.567 1.00 0.00 C ATOM 259 C GLU A 17 -7.069 3.976 -5.637 1.00 0.00 C ATOM 260 O GLU A 17 -6.212 4.241 -6.462 1.00 0.00 O ATOM 261 CB GLU A 17 -7.858 6.440 -5.150 1.00 0.00 C ATOM 262 CG GLU A 17 -8.361 7.377 -3.965 1.00 0.00 C ATOM 263 CD GLU A 17 -8.190 8.848 -4.253 1.00 0.00 C ATOM 264 OE1 GLU A 17 -8.898 9.391 -5.074 1.00 0.00 O ATOM 265 OE2 GLU A 17 -7.304 9.415 -3.647 1.00 0.00 O ATOM 0 H GLU A 17 -5.581 5.904 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.330 4.603 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.000 6.891 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.641 6.329 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.414 7.172 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.815 7.126 -3.056 1.00 0.00 H new ATOM 272 N PRO A 18 -7.652 2.788 -5.622 1.00 0.00 N ATOM 273 CA PRO A 18 -8.685 2.272 -4.649 1.00 0.00 C ATOM 274 C PRO A 18 -8.165 1.452 -3.409 1.00 0.00 C ATOM 275 O PRO A 18 -8.905 0.659 -2.839 1.00 0.00 O ATOM 276 CB PRO A 18 -9.568 1.487 -5.607 1.00 0.00 C ATOM 277 CG PRO A 18 -8.489 0.728 -6.451 1.00 0.00 C ATOM 278 CD PRO A 18 -7.352 1.769 -6.671 1.00 0.00 C ATOM 0 HA PRO A 18 -9.181 3.067 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.239 0.805 -5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.190 2.137 -6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.122 -0.153 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.899 0.384 -7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.364 1.327 -6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.379 2.196 -7.673 1.00 0.00 H new ATOM 286 N ALA A 19 -6.929 1.672 -3.042 1.00 0.00 N ATOM 287 CA ALA A 19 -6.227 0.995 -1.879 1.00 0.00 C ATOM 288 C ALA A 19 -5.972 -0.547 -1.966 1.00 0.00 C ATOM 289 O ALA A 19 -4.883 -1.021 -1.699 1.00 0.00 O ATOM 290 CB ALA A 19 -7.053 1.349 -0.599 1.00 0.00 C ATOM 0 H ALA A 19 -6.330 2.338 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.207 1.380 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.590 0.885 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.073 2.431 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.072 0.978 -0.709 1.00 0.00 H new ATOM 296 N LYS A 20 -6.995 -1.264 -2.319 1.00 0.00 N ATOM 297 CA LYS A 20 -6.977 -2.764 -2.465 1.00 0.00 C ATOM 298 C LYS A 20 -7.207 -3.277 -3.929 1.00 0.00 C ATOM 299 O LYS A 20 -8.249 -3.034 -4.510 1.00 0.00 O ATOM 300 CB LYS A 20 -8.067 -3.260 -1.481 1.00 0.00 C ATOM 301 CG LYS A 20 -9.460 -2.722 -1.929 1.00 0.00 C ATOM 302 CD LYS A 20 -10.211 -2.150 -0.698 1.00 0.00 C ATOM 303 CE LYS A 20 -11.571 -1.611 -1.110 1.00 0.00 C ATOM 304 NZ LYS A 20 -11.344 -0.460 -2.047 1.00 0.00 N ATOM 0 H LYS A 20 -7.905 -0.854 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.989 -3.163 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.078 -4.350 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.842 -2.918 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.337 -1.947 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.042 -3.523 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.334 -2.929 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.621 -1.355 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.159 -2.389 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.134 -1.286 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.904 0.359 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.335 -0.209 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.636 -0.731 -3.008 1.00 0.00 H new ATOM 318 N LEU A 21 -6.241 -3.951 -4.487 1.00 0.00 N ATOM 319 CA LEU A 21 -6.370 -4.492 -5.894 1.00 0.00 C ATOM 320 C LEU A 21 -6.351 -6.042 -6.040 1.00 0.00 C ATOM 321 O LEU A 21 -5.320 -6.646 -5.824 1.00 0.00 O ATOM 322 CB LEU A 21 -5.211 -3.925 -6.740 1.00 0.00 C ATOM 323 CG LEU A 21 -5.452 -4.068 -8.297 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.094 -4.047 -8.988 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.220 -5.340 -8.770 1.00 0.00 C ATOM 0 H LEU A 21 -5.352 -4.159 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.358 -4.177 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.072 -2.872 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.288 -4.439 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.099 -3.232 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.232 -4.144 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.590 -3.106 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.488 -4.876 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.321 -5.321 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.667 -6.231 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.210 -5.358 -8.314 1.00 0.00 H new ATOM 337 N THR A 22 -7.430 -6.679 -6.397 1.00 0.00 N ATOM 338 CA THR A 22 -7.372 -8.190 -6.548 1.00 0.00 C ATOM 339 C THR A 22 -6.997 -8.512 -8.001 1.00 0.00 C ATOM 340 O THR A 22 -7.824 -8.571 -8.892 1.00 0.00 O ATOM 341 CB THR A 22 -8.728 -8.842 -6.241 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.920 -8.566 -4.865 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.612 -10.359 -6.200 1.00 0.00 C ATOM 0 H THR A 22 -8.334 -6.248 -6.590 1.00 0.00 H new ATOM 0 HA THR A 22 -6.637 -8.581 -5.845 1.00 0.00 H new ATOM 0 HB THR A 22 -9.471 -8.501 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.774 -8.947 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.588 -10.793 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.262 -10.723 -7.166 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.903 -10.649 -5.424 1.00 0.00 H new ATOM 351 N ILE A 23 -5.728 -8.712 -8.211 1.00 0.00 N ATOM 352 CA ILE A 23 -5.192 -9.026 -9.577 1.00 0.00 C ATOM 353 C ILE A 23 -5.092 -10.502 -9.950 1.00 0.00 C ATOM 354 O ILE A 23 -5.163 -11.364 -9.098 1.00 0.00 O ATOM 355 CB ILE A 23 -3.762 -8.503 -9.776 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.765 -9.135 -8.791 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.677 -7.018 -9.663 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.398 -9.240 -9.513 1.00 0.00 C ATOM 0 H ILE A 23 -5.018 -8.671 -7.480 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.939 -8.538 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.491 -8.795 -10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.677 -8.526 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.109 -10.120 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.645 -6.700 -9.812 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.311 -6.559 -10.421 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.013 -6.709 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.665 -9.686 -8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.502 -9.864 -10.401 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.064 -8.245 -9.806 1.00 0.00 H new ATOM 370 N LYS A 24 -4.929 -10.787 -11.216 1.00 0.00 N ATOM 371 CA LYS A 24 -4.809 -12.225 -11.593 1.00 0.00 C ATOM 372 C LYS A 24 -3.371 -12.544 -12.150 1.00 0.00 C ATOM 373 O LYS A 24 -2.775 -11.719 -12.817 1.00 0.00 O ATOM 374 CB LYS A 24 -5.962 -12.585 -12.652 1.00 0.00 C ATOM 375 CG LYS A 24 -5.706 -12.220 -14.155 1.00 0.00 C ATOM 376 CD LYS A 24 -5.676 -10.700 -14.396 1.00 0.00 C ATOM 377 CE LYS A 24 -7.011 -9.999 -14.050 1.00 0.00 C ATOM 378 NZ LYS A 24 -6.772 -8.535 -14.200 1.00 0.00 N ATOM 0 H LYS A 24 -4.875 -10.113 -11.980 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.943 -12.850 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.149 -13.657 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.877 -12.084 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.759 -12.654 -14.475 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.486 -12.667 -14.772 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.877 -10.260 -13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.434 -10.510 -15.442 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.808 -10.332 -14.715 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.323 -10.239 -13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.684 -8.039 -14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.243 -8.183 -13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.222 -8.360 -15.065 1.00 0.00 H new ATOM 392 N PRO A 25 -2.846 -13.714 -11.871 1.00 0.00 N ATOM 393 CA PRO A 25 -1.386 -14.051 -12.018 1.00 0.00 C ATOM 394 C PRO A 25 -0.476 -13.263 -13.018 1.00 0.00 C ATOM 395 O PRO A 25 -0.271 -13.681 -14.142 1.00 0.00 O ATOM 396 CB PRO A 25 -1.439 -15.594 -12.281 1.00 0.00 C ATOM 397 CG PRO A 25 -2.959 -15.930 -12.358 1.00 0.00 C ATOM 398 CD PRO A 25 -3.584 -14.916 -11.407 1.00 0.00 C ATOM 0 HA PRO A 25 -0.854 -13.726 -11.124 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.928 -15.856 -13.208 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.951 -16.149 -11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.345 -15.823 -13.372 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.162 -16.954 -12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.663 -14.826 -11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.401 -15.148 -10.358 1.00 0.00 H new ATOM 406 N GLY A 26 0.053 -12.133 -12.606 1.00 0.00 N ATOM 407 CA GLY A 26 0.953 -11.312 -13.524 1.00 0.00 C ATOM 408 C GLY A 26 0.578 -9.840 -13.683 1.00 0.00 C ATOM 409 O GLY A 26 1.431 -8.976 -13.789 1.00 0.00 O ATOM 0 H GLY A 26 -0.091 -11.734 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.974 -11.368 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.953 -11.776 -14.510 1.00 0.00 H new ATOM 413 N ASP A 27 -0.704 -9.650 -13.698 1.00 0.00 N ATOM 414 CA ASP A 27 -1.388 -8.330 -13.837 1.00 0.00 C ATOM 415 C ASP A 27 -0.603 -6.986 -13.642 1.00 0.00 C ATOM 416 O ASP A 27 -0.417 -6.508 -12.540 1.00 0.00 O ATOM 417 CB ASP A 27 -2.569 -8.450 -12.867 1.00 0.00 C ATOM 418 CG ASP A 27 -3.904 -8.175 -13.435 1.00 0.00 C ATOM 419 OD1 ASP A 27 -4.042 -7.851 -14.593 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.831 -8.311 -12.669 1.00 0.00 O ATOM 0 H ASP A 27 -1.363 -10.423 -13.612 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.622 -8.199 -14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.573 -9.458 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.402 -7.765 -12.036 1.00 0.00 H new ATOM 425 N THR A 28 -0.145 -6.383 -14.702 1.00 0.00 N ATOM 426 CA THR A 28 0.604 -5.085 -14.542 1.00 0.00 C ATOM 427 C THR A 28 -0.201 -4.020 -13.759 1.00 0.00 C ATOM 428 O THR A 28 -1.386 -3.828 -13.894 1.00 0.00 O ATOM 429 CB THR A 28 0.955 -4.533 -15.928 1.00 0.00 C ATOM 430 OG1 THR A 28 1.500 -5.652 -16.601 1.00 0.00 O ATOM 431 CG2 THR A 28 2.136 -3.600 -15.885 1.00 0.00 C ATOM 0 H THR A 28 -0.249 -6.717 -15.660 1.00 0.00 H new ATOM 0 HA THR A 28 1.504 -5.299 -13.966 1.00 0.00 H new ATOM 0 HB THR A 28 0.081 -4.039 -16.353 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.474 -5.657 -16.492 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.347 -3.234 -16.890 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.910 -2.757 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.007 -4.132 -15.502 1.00 0.00 H new ATOM 439 N VAL A 29 0.475 -3.321 -12.922 1.00 0.00 N ATOM 440 CA VAL A 29 -0.125 -2.245 -12.073 1.00 0.00 C ATOM 441 C VAL A 29 0.495 -0.866 -12.305 1.00 0.00 C ATOM 442 O VAL A 29 1.665 -0.791 -12.628 1.00 0.00 O ATOM 443 CB VAL A 29 0.044 -2.670 -10.586 1.00 0.00 C ATOM 444 CG1 VAL A 29 -0.413 -1.545 -9.625 1.00 0.00 C ATOM 445 CG2 VAL A 29 -0.907 -3.841 -10.309 1.00 0.00 C ATOM 0 H VAL A 29 1.476 -3.448 -12.773 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.175 -2.141 -12.345 1.00 0.00 H new ATOM 0 HB VAL A 29 1.095 -2.912 -10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.283 -1.872 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.186 -0.651 -9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.464 -1.319 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.804 -4.155 -9.270 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.934 -3.527 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.659 -4.674 -10.966 1.00 0.00 H new ATOM 455 N GLU A 30 -0.254 0.187 -12.168 1.00 0.00 N ATOM 456 CA GLU A 30 0.320 1.535 -12.371 1.00 0.00 C ATOM 457 C GLU A 30 0.283 2.388 -11.089 1.00 0.00 C ATOM 458 O GLU A 30 -0.708 2.434 -10.393 1.00 0.00 O ATOM 459 CB GLU A 30 -0.465 2.185 -13.501 1.00 0.00 C ATOM 460 CG GLU A 30 -0.011 3.681 -13.605 1.00 0.00 C ATOM 461 CD GLU A 30 -0.631 4.375 -14.797 1.00 0.00 C ATOM 462 OE1 GLU A 30 -1.843 4.335 -14.856 1.00 0.00 O ATOM 463 OE2 GLU A 30 0.167 4.893 -15.548 1.00 0.00 O ATOM 0 H GLU A 30 -1.244 0.169 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 30 1.376 1.456 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.282 1.665 -14.441 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.536 2.124 -13.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.288 4.209 -12.693 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.075 3.727 -13.682 1.00 0.00 H new ATOM 470 N PHE A 31 1.368 3.038 -10.818 1.00 0.00 N ATOM 471 CA PHE A 31 1.496 3.913 -9.619 1.00 0.00 C ATOM 472 C PHE A 31 1.557 5.358 -10.153 1.00 0.00 C ATOM 473 O PHE A 31 2.581 5.824 -10.622 1.00 0.00 O ATOM 474 CB PHE A 31 2.790 3.503 -8.865 1.00 0.00 C ATOM 475 CG PHE A 31 2.670 2.060 -8.350 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.910 0.991 -9.188 1.00 0.00 C ATOM 477 CD2 PHE A 31 2.313 1.812 -7.042 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.797 -0.305 -8.727 1.00 0.00 C ATOM 479 CE2 PHE A 31 2.198 0.517 -6.573 1.00 0.00 C ATOM 480 CZ PHE A 31 2.441 -0.543 -7.419 1.00 0.00 C ATOM 0 H PHE A 31 2.207 3.001 -11.397 1.00 0.00 H new ATOM 0 HA PHE A 31 0.667 3.822 -8.918 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.650 3.589 -9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.963 4.182 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.189 1.170 -10.216 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.121 2.640 -6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.988 -1.133 -9.393 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.918 0.336 -5.546 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.352 -1.557 -7.057 1.00 0.00 H new ATOM 490 N LEU A 32 0.451 6.040 -10.081 1.00 0.00 N ATOM 491 CA LEU A 32 0.406 7.440 -10.575 1.00 0.00 C ATOM 492 C LEU A 32 0.612 8.461 -9.427 1.00 0.00 C ATOM 493 O LEU A 32 -0.088 8.462 -8.432 1.00 0.00 O ATOM 494 CB LEU A 32 -0.964 7.566 -11.293 1.00 0.00 C ATOM 495 CG LEU A 32 -1.035 8.839 -12.163 1.00 0.00 C ATOM 496 CD1 LEU A 32 -2.200 8.659 -13.134 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.368 10.068 -11.314 1.00 0.00 C ATOM 0 H LEU A 32 -0.427 5.686 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 32 1.219 7.669 -11.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.130 6.688 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.763 7.586 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.075 8.982 -12.659 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.284 9.541 -13.769 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.024 7.780 -13.755 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.125 8.527 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.412 10.950 -11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.333 9.924 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.597 10.206 -10.556 1.00 0.00 H new ATOM 509 N ASN A 33 1.597 9.288 -9.649 1.00 0.00 N ATOM 510 CA ASN A 33 2.077 10.404 -8.754 1.00 0.00 C ATOM 511 C ASN A 33 1.046 11.567 -8.572 1.00 0.00 C ATOM 512 O ASN A 33 1.374 12.726 -8.728 1.00 0.00 O ATOM 513 CB ASN A 33 3.396 10.837 -9.421 1.00 0.00 C ATOM 514 CG ASN A 33 4.213 11.792 -8.589 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.342 11.680 -7.395 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.823 12.768 -9.147 1.00 0.00 N ATOM 0 H ASN A 33 2.148 9.230 -10.506 1.00 0.00 H new ATOM 0 HA ASN A 33 2.214 10.081 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.994 9.950 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.171 11.305 -10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.385 13.406 -8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.747 12.908 -10.155 1.00 0.00 H new ATOM 523 N ASN A 34 -0.166 11.202 -8.244 1.00 0.00 N ATOM 524 CA ASN A 34 -1.320 12.151 -8.028 1.00 0.00 C ATOM 525 C ASN A 34 -1.055 13.682 -7.881 1.00 0.00 C ATOM 526 O ASN A 34 -1.261 14.451 -8.797 1.00 0.00 O ATOM 527 CB ASN A 34 -2.087 11.616 -6.778 1.00 0.00 C ATOM 528 CG ASN A 34 -3.181 12.599 -6.426 1.00 0.00 C ATOM 529 OD1 ASN A 34 -3.126 13.228 -5.306 1.00 0.00 O flip ATOM 530 ND2 ASN A 34 -4.110 12.829 -7.169 1.00 0.00 N flip ATOM 0 H ASN A 34 -0.424 10.225 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.873 12.139 -8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.513 10.635 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.403 11.494 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.179 12.345 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.823 13.507 -6.899 1.00 0.00 H new ATOM 537 N LYS A 35 -0.629 14.048 -6.705 1.00 0.00 N ATOM 538 CA LYS A 35 -0.297 15.460 -6.298 1.00 0.00 C ATOM 539 C LYS A 35 0.688 15.322 -5.096 1.00 0.00 C ATOM 540 O LYS A 35 1.207 14.247 -4.876 1.00 0.00 O ATOM 541 CB LYS A 35 -1.624 16.245 -5.872 1.00 0.00 C ATOM 542 CG LYS A 35 -2.702 16.121 -6.978 1.00 0.00 C ATOM 543 CD LYS A 35 -3.788 17.260 -6.922 1.00 0.00 C ATOM 544 CE LYS A 35 -5.196 16.856 -7.478 1.00 0.00 C ATOM 545 NZ LYS A 35 -5.110 15.545 -8.206 1.00 0.00 N ATOM 0 H LYS A 35 -0.485 13.378 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 35 0.148 16.029 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.007 15.842 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.393 17.296 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.216 16.140 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.196 15.153 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.901 17.584 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.423 18.118 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.910 16.779 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.565 17.630 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.688 15.589 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.120 15.354 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.463 14.783 -7.592 1.00 0.00 H new ATOM 559 N VAL A 36 0.921 16.370 -4.352 1.00 0.00 N ATOM 560 CA VAL A 36 1.871 16.325 -3.158 1.00 0.00 C ATOM 561 C VAL A 36 2.875 15.118 -3.024 1.00 0.00 C ATOM 562 O VAL A 36 2.752 14.251 -2.178 1.00 0.00 O ATOM 563 CB VAL A 36 0.978 16.427 -1.871 1.00 0.00 C ATOM 564 CG1 VAL A 36 0.406 17.847 -1.757 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.225 15.467 -1.951 1.00 0.00 C ATOM 0 H VAL A 36 0.493 17.282 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 36 2.558 17.158 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 36 1.604 16.173 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.214 17.919 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.224 18.564 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.198 18.068 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.825 15.560 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.835 15.719 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.133 14.442 -2.045 1.00 0.00 H new ATOM 575 N PRO A 37 3.856 15.099 -3.901 1.00 0.00 N ATOM 576 CA PRO A 37 5.158 14.393 -3.657 1.00 0.00 C ATOM 577 C PRO A 37 5.829 14.573 -2.244 1.00 0.00 C ATOM 578 O PRO A 37 5.365 15.310 -1.396 1.00 0.00 O ATOM 579 CB PRO A 37 6.025 14.893 -4.864 1.00 0.00 C ATOM 580 CG PRO A 37 5.299 16.184 -5.322 1.00 0.00 C ATOM 581 CD PRO A 37 3.840 15.764 -5.231 1.00 0.00 C ATOM 0 HA PRO A 37 5.024 13.312 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.053 15.096 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.067 14.152 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.522 17.031 -4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.579 16.474 -6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.157 16.613 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.549 15.087 -6.034 1.00 0.00 H new ATOM 589 N PRO A 38 6.922 13.878 -2.010 1.00 0.00 N ATOM 590 CA PRO A 38 7.510 12.820 -2.895 1.00 0.00 C ATOM 591 C PRO A 38 6.982 11.406 -2.518 1.00 0.00 C ATOM 592 O PRO A 38 6.990 11.003 -1.375 1.00 0.00 O ATOM 593 CB PRO A 38 8.994 13.054 -2.667 1.00 0.00 C ATOM 594 CG PRO A 38 9.038 13.276 -1.121 1.00 0.00 C ATOM 595 CD PRO A 38 7.753 14.091 -0.789 1.00 0.00 C ATOM 0 HA PRO A 38 7.247 12.873 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.597 12.200 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.362 13.920 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.051 12.326 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.936 13.819 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.258 13.723 0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.971 15.146 -0.624 1.00 0.00 H new ATOM 603 N HIS A 39 6.534 10.653 -3.482 1.00 0.00 N ATOM 604 CA HIS A 39 6.009 9.279 -3.154 1.00 0.00 C ATOM 605 C HIS A 39 6.913 8.082 -3.551 1.00 0.00 C ATOM 606 O HIS A 39 7.065 7.773 -4.714 1.00 0.00 O ATOM 607 CB HIS A 39 4.633 9.085 -3.841 1.00 0.00 C ATOM 608 CG HIS A 39 3.597 10.175 -3.548 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.821 10.225 -2.466 1.00 0.00 N ATOM 610 CD2 HIS A 39 3.328 11.236 -4.377 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.093 11.315 -2.664 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.398 11.889 -3.772 1.00 0.00 N ATOM 0 H HIS A 39 6.504 10.913 -4.468 1.00 0.00 H new ATOM 0 HA HIS A 39 5.958 9.261 -2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.787 9.033 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.223 8.124 -3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.792 11.470 -5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.339 11.675 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.964 12.743 -4.123 1.00 0.00 H new ATOM 620 N ASN A 40 7.509 7.454 -2.581 1.00 0.00 N ATOM 621 CA ASN A 40 8.394 6.268 -2.817 1.00 0.00 C ATOM 622 C ASN A 40 7.616 5.097 -2.174 1.00 0.00 C ATOM 623 O ASN A 40 7.466 5.094 -0.969 1.00 0.00 O ATOM 624 CB ASN A 40 9.765 6.528 -2.118 1.00 0.00 C ATOM 625 CG ASN A 40 10.509 5.222 -1.926 1.00 0.00 C ATOM 626 OD1 ASN A 40 10.462 4.619 -0.886 1.00 0.00 O ATOM 627 ND2 ASN A 40 11.208 4.707 -2.866 1.00 0.00 N ATOM 0 H ASN A 40 7.420 7.718 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 40 8.615 6.062 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.364 7.212 -2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.604 7.009 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.694 3.823 -2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.279 5.180 -3.767 1.00 0.00 H new ATOM 634 N VAL A 41 7.132 4.165 -2.947 1.00 0.00 N ATOM 635 CA VAL A 41 6.376 3.030 -2.312 1.00 0.00 C ATOM 636 C VAL A 41 7.187 1.744 -2.247 1.00 0.00 C ATOM 637 O VAL A 41 7.628 1.175 -3.231 1.00 0.00 O ATOM 638 CB VAL A 41 5.057 2.730 -3.075 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.102 3.920 -2.930 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.284 2.500 -4.585 1.00 0.00 C ATOM 0 H VAL A 41 7.219 4.131 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 41 6.159 3.361 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 41 4.643 1.820 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.176 3.711 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.882 4.084 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.568 4.813 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.329 2.295 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.730 3.392 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.953 1.651 -4.727 1.00 0.00 H new ATOM 650 N VAL A 42 7.348 1.298 -1.045 1.00 0.00 N ATOM 651 CA VAL A 42 8.126 0.053 -0.798 1.00 0.00 C ATOM 652 C VAL A 42 7.205 -1.123 -0.357 1.00 0.00 C ATOM 653 O VAL A 42 6.224 -0.915 0.326 1.00 0.00 O ATOM 654 CB VAL A 42 9.182 0.437 0.261 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.219 -0.663 0.353 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.943 1.714 -0.169 1.00 0.00 C ATOM 0 H VAL A 42 6.972 1.743 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 42 8.610 -0.318 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 42 8.665 0.594 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.967 -0.396 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.735 -1.596 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.702 -0.789 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.683 1.969 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.445 1.536 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.238 2.538 -0.280 1.00 0.00 H new ATOM 666 N PHE A 43 7.527 -2.328 -0.745 1.00 0.00 N ATOM 667 CA PHE A 43 6.685 -3.509 -0.356 1.00 0.00 C ATOM 668 C PHE A 43 6.968 -3.916 1.110 1.00 0.00 C ATOM 669 O PHE A 43 8.029 -3.586 1.621 1.00 0.00 O ATOM 670 CB PHE A 43 6.981 -4.706 -1.293 1.00 0.00 C ATOM 671 CG PHE A 43 5.936 -4.797 -2.421 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.773 -5.516 -2.241 1.00 0.00 C ATOM 673 CD2 PHE A 43 6.133 -4.163 -3.621 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.834 -5.589 -3.254 1.00 0.00 C ATOM 675 CE2 PHE A 43 5.204 -4.230 -4.634 1.00 0.00 C ATOM 676 CZ PHE A 43 4.050 -4.946 -4.450 1.00 0.00 C ATOM 0 H PHE A 43 8.341 -2.551 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 43 5.636 -3.229 -0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.977 -4.598 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.981 -5.632 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.595 -6.024 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.040 -3.597 -3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.926 -6.154 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.383 -3.721 -5.569 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.315 -5.005 -5.239 1.00 0.00 H new ATOM 686 N ASP A 44 6.076 -4.594 1.760 1.00 0.00 N ATOM 687 CA ASP A 44 6.340 -4.998 3.175 1.00 0.00 C ATOM 688 C ASP A 44 7.151 -6.351 3.301 1.00 0.00 C ATOM 689 O ASP A 44 7.502 -6.995 2.330 1.00 0.00 O ATOM 690 CB ASP A 44 4.912 -5.007 3.807 1.00 0.00 C ATOM 691 CG ASP A 44 4.232 -6.330 3.608 1.00 0.00 C ATOM 692 OD1 ASP A 44 4.535 -7.131 4.467 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.494 -6.453 2.654 1.00 0.00 O ATOM 0 H ASP A 44 5.176 -4.889 1.382 1.00 0.00 H new ATOM 0 HA ASP A 44 7.006 -4.318 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.983 -4.790 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.310 -4.216 3.360 1.00 0.00 H new ATOM 698 N ALA A 45 7.452 -6.718 4.516 1.00 0.00 N ATOM 699 CA ALA A 45 8.214 -7.966 4.819 1.00 0.00 C ATOM 700 C ALA A 45 7.449 -9.041 5.641 1.00 0.00 C ATOM 701 O ALA A 45 7.962 -10.092 5.992 1.00 0.00 O ATOM 702 CB ALA A 45 9.482 -7.498 5.545 1.00 0.00 C ATOM 0 H ALA A 45 7.191 -6.183 5.344 1.00 0.00 H new ATOM 0 HA ALA A 45 8.419 -8.491 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.095 -8.362 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.048 -6.831 4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.205 -6.967 6.456 1.00 0.00 H new ATOM 708 N ALA A 46 6.213 -8.771 5.922 1.00 0.00 N ATOM 709 CA ALA A 46 5.340 -9.685 6.712 1.00 0.00 C ATOM 710 C ALA A 46 4.263 -10.344 5.819 1.00 0.00 C ATOM 711 O ALA A 46 4.281 -11.557 5.677 1.00 0.00 O ATOM 712 CB ALA A 46 4.749 -8.807 7.839 1.00 0.00 C ATOM 0 H ALA A 46 5.747 -7.914 5.624 1.00 0.00 H new ATOM 0 HA ALA A 46 5.889 -10.527 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.093 -9.412 8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.558 -8.402 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.179 -7.988 7.401 1.00 0.00 H new ATOM 718 N LEU A 47 3.439 -9.521 5.248 1.00 0.00 N ATOM 719 CA LEU A 47 2.309 -9.926 4.352 1.00 0.00 C ATOM 720 C LEU A 47 2.785 -10.102 2.893 1.00 0.00 C ATOM 721 O LEU A 47 2.364 -9.454 1.962 1.00 0.00 O ATOM 722 CB LEU A 47 1.210 -8.826 4.446 1.00 0.00 C ATOM 723 CG LEU A 47 0.853 -8.490 5.913 1.00 0.00 C ATOM 724 CD1 LEU A 47 1.588 -7.205 6.320 1.00 0.00 C ATOM 725 CD2 LEU A 47 -0.641 -8.199 5.996 1.00 0.00 C ATOM 0 H LEU A 47 3.504 -8.511 5.372 1.00 0.00 H new ATOM 0 HA LEU A 47 1.910 -10.889 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.555 -7.924 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.315 -9.162 3.922 1.00 0.00 H new ATOM 0 HG LEU A 47 1.131 -9.323 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.344 -6.958 7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.663 -7.356 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.279 -6.387 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.909 -7.960 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.883 -7.353 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.201 -9.075 5.670 1.00 0.00 H new ATOM 737 N ASN A 48 3.688 -11.017 2.737 1.00 0.00 N ATOM 738 CA ASN A 48 4.254 -11.316 1.393 1.00 0.00 C ATOM 739 C ASN A 48 4.033 -12.835 1.102 1.00 0.00 C ATOM 740 O ASN A 48 4.955 -13.609 1.287 1.00 0.00 O ATOM 741 CB ASN A 48 5.722 -10.852 1.497 1.00 0.00 C ATOM 742 CG ASN A 48 6.467 -11.251 0.261 1.00 0.00 C ATOM 743 OD1 ASN A 48 7.526 -11.939 0.418 1.00 0.00 O flip ATOM 744 ND2 ASN A 48 6.124 -10.961 -0.859 1.00 0.00 N flip ATOM 0 H ASN A 48 4.068 -11.584 3.495 1.00 0.00 H new ATOM 0 HA ASN A 48 3.790 -10.808 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.763 -9.770 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.192 -11.295 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.278 -10.410 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.680 -11.267 -1.658 1.00 0.00 H new ATOM 751 N PRO A 49 2.832 -13.211 0.680 1.00 0.00 N ATOM 752 CA PRO A 49 2.282 -14.616 0.734 1.00 0.00 C ATOM 753 C PRO A 49 3.294 -15.768 0.802 1.00 0.00 C ATOM 754 O PRO A 49 3.182 -16.630 1.651 1.00 0.00 O ATOM 755 CB PRO A 49 1.327 -14.653 -0.497 1.00 0.00 C ATOM 756 CG PRO A 49 1.493 -13.252 -1.134 1.00 0.00 C ATOM 757 CD PRO A 49 1.819 -12.333 0.035 1.00 0.00 C ATOM 0 HA PRO A 49 1.782 -14.806 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.603 -15.445 -1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.295 -14.837 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.291 -13.247 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.582 -12.938 -1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.222 -11.369 -0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.959 -12.128 0.673 1.00 0.00 H new ATOM 765 N ALA A 50 4.257 -15.776 -0.075 1.00 0.00 N ATOM 766 CA ALA A 50 5.295 -16.864 -0.064 1.00 0.00 C ATOM 767 C ALA A 50 6.344 -16.368 0.966 1.00 0.00 C ATOM 768 O ALA A 50 7.510 -16.233 0.658 1.00 0.00 O ATOM 769 CB ALA A 50 5.896 -16.965 -1.476 1.00 0.00 C ATOM 0 H ALA A 50 4.377 -15.075 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 50 4.915 -17.851 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.653 -17.749 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.108 -17.205 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.353 -16.013 -1.746 1.00 0.00 H new ATOM 775 N LYS A 51 5.841 -16.117 2.144 1.00 0.00 N ATOM 776 CA LYS A 51 6.570 -15.615 3.350 1.00 0.00 C ATOM 777 C LYS A 51 8.092 -15.347 3.242 1.00 0.00 C ATOM 778 O LYS A 51 8.921 -15.803 4.002 1.00 0.00 O ATOM 779 CB LYS A 51 6.198 -16.636 4.472 1.00 0.00 C ATOM 780 CG LYS A 51 6.689 -16.212 5.901 1.00 0.00 C ATOM 781 CD LYS A 51 6.288 -14.722 6.216 1.00 0.00 C ATOM 782 CE LYS A 51 7.510 -13.800 6.060 1.00 0.00 C ATOM 783 NZ LYS A 51 7.026 -12.426 5.728 1.00 0.00 N ATOM 0 H LYS A 51 4.848 -16.256 2.333 1.00 0.00 H new ATOM 0 HA LYS A 51 6.248 -14.592 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.115 -16.761 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.627 -17.607 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.256 -16.875 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.771 -16.322 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.493 -14.401 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.896 -14.650 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.093 -13.784 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.167 -14.171 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.503 -11.733 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.239 -12.214 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.999 -12.373 5.881 1.00 0.00 H new ATOM 797 N SER A 52 8.380 -14.552 2.263 1.00 0.00 N ATOM 798 CA SER A 52 9.780 -14.114 1.933 1.00 0.00 C ATOM 799 C SER A 52 9.939 -12.621 2.301 1.00 0.00 C ATOM 800 O SER A 52 9.027 -12.027 2.864 1.00 0.00 O ATOM 801 CB SER A 52 10.032 -14.350 0.411 1.00 0.00 C ATOM 802 OG SER A 52 8.798 -13.982 -0.197 1.00 0.00 O ATOM 0 H SER A 52 7.674 -14.161 1.639 1.00 0.00 H new ATOM 0 HA SER A 52 10.512 -14.688 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.857 -13.741 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.286 -15.389 0.204 1.00 0.00 H new ATOM 0 HG SER A 52 8.563 -13.068 0.066 1.00 0.00 H new ATOM 808 N ALA A 53 11.078 -12.074 1.999 1.00 0.00 N ATOM 809 CA ALA A 53 11.421 -10.628 2.269 1.00 0.00 C ATOM 810 C ALA A 53 11.957 -10.068 0.916 1.00 0.00 C ATOM 811 O ALA A 53 11.530 -9.066 0.366 1.00 0.00 O ATOM 812 CB ALA A 53 12.478 -10.640 3.403 1.00 0.00 C ATOM 0 H ALA A 53 11.835 -12.590 1.551 1.00 0.00 H new ATOM 0 HA ALA A 53 10.593 -9.999 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.766 -9.616 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.056 -11.115 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.356 -11.197 3.076 1.00 0.00 H new ATOM 818 N ASP A 54 12.921 -10.817 0.476 1.00 0.00 N ATOM 819 CA ASP A 54 13.688 -10.643 -0.784 1.00 0.00 C ATOM 820 C ASP A 54 12.752 -10.182 -1.945 1.00 0.00 C ATOM 821 O ASP A 54 12.813 -9.051 -2.394 1.00 0.00 O ATOM 822 CB ASP A 54 14.362 -12.056 -0.918 1.00 0.00 C ATOM 823 CG ASP A 54 13.340 -13.157 -0.688 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.130 -13.451 0.473 1.00 0.00 O ATOM 825 OD2 ASP A 54 12.811 -13.623 -1.669 1.00 0.00 O ATOM 0 H ASP A 54 13.238 -11.631 1.003 1.00 0.00 H new ATOM 0 HA ASP A 54 14.440 -9.854 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.803 -12.162 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.173 -12.148 -0.196 1.00 0.00 H new ATOM 830 N LEU A 55 11.913 -11.074 -2.397 1.00 0.00 N ATOM 831 CA LEU A 55 10.939 -10.784 -3.503 1.00 0.00 C ATOM 832 C LEU A 55 10.294 -9.400 -3.243 1.00 0.00 C ATOM 833 O LEU A 55 10.537 -8.447 -3.955 1.00 0.00 O ATOM 834 CB LEU A 55 9.927 -11.978 -3.492 1.00 0.00 C ATOM 835 CG LEU A 55 8.894 -11.987 -4.656 1.00 0.00 C ATOM 836 CD1 LEU A 55 7.942 -10.785 -4.607 1.00 0.00 C ATOM 837 CD2 LEU A 55 9.619 -11.939 -6.000 1.00 0.00 C ATOM 0 H LEU A 55 11.857 -12.026 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 55 11.389 -10.716 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.491 -12.910 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.384 -11.964 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 55 8.315 -12.904 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.243 -10.841 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.389 -10.797 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.518 -9.862 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.888 -11.946 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.217 -11.029 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.271 -12.808 -6.093 1.00 0.00 H new ATOM 849 N ALA A 56 9.490 -9.321 -2.225 1.00 0.00 N ATOM 850 CA ALA A 56 8.796 -8.047 -1.842 1.00 0.00 C ATOM 851 C ALA A 56 9.638 -6.741 -2.050 1.00 0.00 C ATOM 852 O ALA A 56 9.292 -5.837 -2.791 1.00 0.00 O ATOM 853 CB ALA A 56 8.381 -8.255 -0.374 1.00 0.00 C ATOM 0 H ALA A 56 9.273 -10.110 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 56 7.946 -7.871 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.864 -7.366 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.716 -9.116 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.269 -8.431 0.234 1.00 0.00 H new ATOM 859 N LYS A 57 10.761 -6.652 -1.398 1.00 0.00 N ATOM 860 CA LYS A 57 11.605 -5.411 -1.557 1.00 0.00 C ATOM 861 C LYS A 57 12.355 -5.429 -2.917 1.00 0.00 C ATOM 862 O LYS A 57 12.777 -4.411 -3.443 1.00 0.00 O ATOM 863 CB LYS A 57 12.579 -5.361 -0.322 1.00 0.00 C ATOM 864 CG LYS A 57 11.830 -5.626 1.034 1.00 0.00 C ATOM 865 CD LYS A 57 10.793 -4.522 1.446 1.00 0.00 C ATOM 866 CE LYS A 57 11.440 -3.355 2.213 1.00 0.00 C ATOM 867 NZ LYS A 57 10.324 -2.485 2.702 1.00 0.00 N ATOM 0 H LYS A 57 11.136 -7.363 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 57 10.994 -4.508 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.366 -6.104 -0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.064 -4.386 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.312 -6.582 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.571 -5.722 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.304 -4.137 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.016 -4.972 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.036 -3.724 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.113 -2.793 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.635 -1.493 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.504 -2.585 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.057 -2.772 3.665 1.00 0.00 H new ATOM 881 N SER A 58 12.537 -6.585 -3.484 1.00 0.00 N ATOM 882 CA SER A 58 13.238 -6.664 -4.818 1.00 0.00 C ATOM 883 C SER A 58 12.273 -5.969 -5.806 1.00 0.00 C ATOM 884 O SER A 58 12.672 -5.202 -6.659 1.00 0.00 O ATOM 885 CB SER A 58 13.437 -8.117 -5.243 1.00 0.00 C ATOM 886 OG SER A 58 14.152 -7.936 -6.464 1.00 0.00 O ATOM 0 H SER A 58 12.238 -7.479 -3.095 1.00 0.00 H new ATOM 0 HA SER A 58 14.224 -6.201 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.006 -8.689 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.491 -8.639 -5.390 1.00 0.00 H new ATOM 0 HG SER A 58 14.354 -8.810 -6.858 1.00 0.00 H new ATOM 892 N LEU A 59 11.027 -6.290 -5.591 1.00 0.00 N ATOM 893 CA LEU A 59 9.839 -5.796 -6.356 1.00 0.00 C ATOM 894 C LEU A 59 9.527 -4.284 -6.138 1.00 0.00 C ATOM 895 O LEU A 59 9.505 -3.550 -7.102 1.00 0.00 O ATOM 896 CB LEU A 59 8.664 -6.714 -5.917 1.00 0.00 C ATOM 897 CG LEU A 59 7.340 -6.355 -6.603 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.425 -6.632 -8.104 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.267 -7.267 -6.022 1.00 0.00 C ATOM 0 H LEU A 59 10.764 -6.935 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 59 10.026 -5.852 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.915 -7.750 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.539 -6.644 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 59 7.117 -5.300 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.478 -6.372 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.224 -6.033 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.634 -7.689 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.307 -7.041 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.529 -8.307 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.196 -7.106 -4.946 1.00 0.00 H new ATOM 911 N SER A 60 9.286 -3.822 -4.929 1.00 0.00 N ATOM 912 CA SER A 60 8.988 -2.336 -4.762 1.00 0.00 C ATOM 913 C SER A 60 9.875 -1.241 -5.397 1.00 0.00 C ATOM 914 O SER A 60 10.962 -1.466 -5.898 1.00 0.00 O ATOM 915 CB SER A 60 8.953 -2.029 -3.313 1.00 0.00 C ATOM 916 OG SER A 60 7.620 -1.564 -3.156 1.00 0.00 O ATOM 0 H SER A 60 9.279 -4.376 -4.073 1.00 0.00 H new ATOM 0 HA SER A 60 8.061 -2.263 -5.331 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.156 -2.909 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.687 -1.272 -3.036 1.00 0.00 H new ATOM 0 HG SER A 60 7.586 -0.602 -3.338 1.00 0.00 H new ATOM 922 N HIS A 61 9.371 -0.032 -5.314 1.00 0.00 N ATOM 923 CA HIS A 61 10.124 1.129 -5.883 1.00 0.00 C ATOM 924 C HIS A 61 11.331 1.402 -4.970 1.00 0.00 C ATOM 925 O HIS A 61 11.399 0.952 -3.840 1.00 0.00 O ATOM 926 CB HIS A 61 9.186 2.372 -5.950 1.00 0.00 C ATOM 927 CG HIS A 61 8.658 2.539 -7.370 1.00 0.00 C ATOM 928 ND1 HIS A 61 9.405 2.672 -8.410 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.376 2.593 -7.870 1.00 0.00 C ATOM 930 CE1 HIS A 61 8.670 2.800 -9.474 1.00 0.00 C ATOM 931 NE2 HIS A 61 7.398 2.756 -9.178 1.00 0.00 N ATOM 0 H HIS A 61 8.477 0.199 -4.880 1.00 0.00 H new ATOM 0 HA HIS A 61 10.471 0.913 -6.893 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.356 2.251 -5.254 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.729 3.267 -5.646 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.425 2.676 -8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.479 2.513 -7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.060 2.926 -10.473 1.00 0.00 H new ATOM 939 N LYS A 62 12.257 2.140 -5.505 1.00 0.00 N ATOM 940 CA LYS A 62 13.514 2.485 -4.743 1.00 0.00 C ATOM 941 C LYS A 62 13.787 3.990 -4.829 1.00 0.00 C ATOM 942 O LYS A 62 14.285 4.633 -3.932 1.00 0.00 O ATOM 943 CB LYS A 62 14.623 1.568 -5.379 1.00 0.00 C ATOM 944 CG LYS A 62 13.941 0.147 -5.420 1.00 0.00 C ATOM 945 CD LYS A 62 14.767 -1.101 -5.717 1.00 0.00 C ATOM 946 CE LYS A 62 13.693 -2.226 -5.770 1.00 0.00 C ATOM 947 NZ LYS A 62 14.363 -3.540 -5.651 1.00 0.00 N ATOM 0 H LYS A 62 12.209 2.529 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 62 13.458 2.295 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.903 1.908 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.532 1.560 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.461 -0.007 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.148 0.193 -6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.307 -1.013 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.510 -1.288 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.973 -2.097 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.136 -2.171 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.959 -4.200 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.381 -3.428 -5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.221 -3.917 -4.692 1.00 0.00 H new ATOM 961 N GLN A 63 13.422 4.497 -5.964 1.00 0.00 N ATOM 962 CA GLN A 63 13.582 5.942 -6.269 1.00 0.00 C ATOM 963 C GLN A 63 12.207 6.608 -5.931 1.00 0.00 C ATOM 964 O GLN A 63 11.337 5.952 -5.392 1.00 0.00 O ATOM 965 CB GLN A 63 13.965 6.011 -7.771 1.00 0.00 C ATOM 966 CG GLN A 63 12.708 5.924 -8.747 1.00 0.00 C ATOM 967 CD GLN A 63 11.626 4.905 -8.377 1.00 0.00 C ATOM 968 OE1 GLN A 63 11.847 3.760 -8.042 1.00 0.00 O ATOM 969 NE2 GLN A 63 10.397 5.276 -8.424 1.00 0.00 N ATOM 0 H GLN A 63 13.005 3.953 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 63 14.351 6.465 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.499 6.942 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.652 5.197 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.246 6.910 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.069 5.690 -9.749 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.162 6.229 -8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.656 4.617 -8.185 1.00 0.00 H new ATOM 978 N LEU A 64 12.004 7.857 -6.225 1.00 0.00 N ATOM 979 CA LEU A 64 10.674 8.492 -5.903 1.00 0.00 C ATOM 980 C LEU A 64 10.000 9.161 -7.127 1.00 0.00 C ATOM 981 O LEU A 64 10.627 9.412 -8.140 1.00 0.00 O ATOM 982 CB LEU A 64 10.963 9.485 -4.715 1.00 0.00 C ATOM 983 CG LEU A 64 12.026 10.561 -5.027 1.00 0.00 C ATOM 984 CD1 LEU A 64 11.417 11.704 -5.826 1.00 0.00 C ATOM 985 CD2 LEU A 64 12.526 11.143 -3.707 1.00 0.00 C ATOM 0 H LEU A 64 12.686 8.472 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 64 9.938 7.743 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.033 9.981 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.289 8.910 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 64 12.831 10.100 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.183 12.451 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.019 11.320 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.612 12.161 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.278 11.906 -3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.691 11.590 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.966 10.349 -3.103 1.00 0.00 H new ATOM 997 N LEU A 65 8.732 9.441 -7.018 1.00 0.00 N ATOM 998 CA LEU A 65 8.006 10.092 -8.164 1.00 0.00 C ATOM 999 C LEU A 65 8.176 11.642 -8.136 1.00 0.00 C ATOM 1000 O LEU A 65 7.300 12.434 -7.845 1.00 0.00 O ATOM 1001 CB LEU A 65 6.527 9.646 -8.044 1.00 0.00 C ATOM 1002 CG LEU A 65 6.390 8.110 -7.949 1.00 0.00 C ATOM 1003 CD1 LEU A 65 4.904 7.777 -7.863 1.00 0.00 C ATOM 1004 CD2 LEU A 65 6.915 7.449 -9.221 1.00 0.00 C ATOM 0 H LEU A 65 8.162 9.252 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 65 8.414 9.785 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.081 10.105 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.969 10.007 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 65 6.949 7.756 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.777 6.697 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.476 8.249 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.396 8.147 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.811 6.367 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.343 7.804 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.966 7.704 -9.356 1.00 0.00 H new ATOM 1016 N MET A 66 9.386 12.005 -8.451 1.00 0.00 N ATOM 1017 CA MET A 66 9.841 13.437 -8.505 1.00 0.00 C ATOM 1018 C MET A 66 9.027 14.395 -9.422 1.00 0.00 C ATOM 1019 O MET A 66 9.048 15.595 -9.235 1.00 0.00 O ATOM 1020 CB MET A 66 11.338 13.385 -8.923 1.00 0.00 C ATOM 1021 CG MET A 66 11.978 14.790 -8.868 1.00 0.00 C ATOM 1022 SD MET A 66 13.763 14.850 -9.160 1.00 0.00 S ATOM 1023 CE MET A 66 14.299 14.651 -7.443 1.00 0.00 C ATOM 0 H MET A 66 10.120 11.337 -8.686 1.00 0.00 H new ATOM 0 HA MET A 66 9.677 13.879 -7.522 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.880 12.708 -8.262 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.424 12.982 -9.932 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.486 15.423 -9.607 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.773 15.224 -7.889 1.00 0.00 H new ATOM 0 HE1 MET A 66 15.388 14.661 -7.398 1.00 0.00 H new ATOM 0 HE2 MET A 66 13.904 15.469 -6.841 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.928 13.703 -7.054 1.00 0.00 H new ATOM 1033 N SER A 67 8.326 13.872 -10.385 1.00 0.00 N ATOM 1034 CA SER A 67 7.517 14.745 -11.326 1.00 0.00 C ATOM 1035 C SER A 67 5.982 14.723 -11.094 1.00 0.00 C ATOM 1036 O SER A 67 5.301 13.919 -11.701 1.00 0.00 O ATOM 1037 CB SER A 67 7.835 14.294 -12.764 1.00 0.00 C ATOM 1038 OG SER A 67 9.244 14.486 -12.885 1.00 0.00 O ATOM 0 H SER A 67 8.268 12.872 -10.575 1.00 0.00 H new ATOM 0 HA SER A 67 7.808 15.778 -11.134 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.559 13.252 -12.925 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.288 14.886 -13.498 1.00 0.00 H new ATOM 0 HG SER A 67 9.535 14.218 -13.782 1.00 0.00 H new ATOM 1044 N PRO A 68 5.445 15.572 -10.231 1.00 0.00 N ATOM 1045 CA PRO A 68 3.962 15.667 -9.972 1.00 0.00 C ATOM 1046 C PRO A 68 3.056 15.173 -11.139 1.00 0.00 C ATOM 1047 O PRO A 68 3.014 15.761 -12.201 1.00 0.00 O ATOM 1048 CB PRO A 68 3.793 17.172 -9.580 1.00 0.00 C ATOM 1049 CG PRO A 68 5.241 17.776 -9.645 1.00 0.00 C ATOM 1050 CD PRO A 68 6.174 16.582 -9.417 1.00 0.00 C ATOM 0 HA PRO A 68 3.620 14.989 -9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.120 17.685 -10.267 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.368 17.274 -8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.430 18.247 -10.610 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.385 18.542 -8.883 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.187 16.763 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.253 16.302 -8.367 1.00 0.00 H new ATOM 1058 N GLY A 69 2.355 14.097 -10.906 1.00 0.00 N ATOM 1059 CA GLY A 69 1.445 13.502 -11.960 1.00 0.00 C ATOM 1060 C GLY A 69 2.008 12.157 -12.428 1.00 0.00 C ATOM 1061 O GLY A 69 1.304 11.178 -12.546 1.00 0.00 O ATOM 0 H GLY A 69 2.366 13.589 -10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.443 13.366 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.357 14.184 -12.805 1.00 0.00 H new ATOM 1065 N GLN A 70 3.291 12.166 -12.679 1.00 0.00 N ATOM 1066 CA GLN A 70 4.083 10.970 -13.151 1.00 0.00 C ATOM 1067 C GLN A 70 3.427 9.550 -13.074 1.00 0.00 C ATOM 1068 O GLN A 70 3.105 9.039 -12.021 1.00 0.00 O ATOM 1069 CB GLN A 70 5.410 11.077 -12.347 1.00 0.00 C ATOM 1070 CG GLN A 70 6.331 9.819 -12.452 1.00 0.00 C ATOM 1071 CD GLN A 70 7.712 10.130 -11.874 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.924 11.006 -11.068 1.00 0.00 O ATOM 1073 NE2 GLN A 70 8.729 9.444 -12.245 1.00 0.00 N ATOM 0 H GLN A 70 3.863 13.004 -12.571 1.00 0.00 H new ATOM 0 HA GLN A 70 4.194 11.027 -14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.964 11.948 -12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.172 11.252 -11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.882 8.984 -11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.425 9.513 -13.494 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.616 8.690 -12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.651 9.652 -11.862 1.00 0.00 H new ATOM 1082 N SER A 71 3.276 8.970 -14.225 1.00 0.00 N ATOM 1083 CA SER A 71 2.670 7.603 -14.435 1.00 0.00 C ATOM 1084 C SER A 71 3.721 6.471 -14.550 1.00 0.00 C ATOM 1085 O SER A 71 4.279 6.240 -15.607 1.00 0.00 O ATOM 1086 CB SER A 71 1.845 7.682 -15.717 1.00 0.00 C ATOM 1087 OG SER A 71 2.818 8.220 -16.621 1.00 0.00 O ATOM 0 H SER A 71 3.566 9.412 -15.098 1.00 0.00 H new ATOM 0 HA SER A 71 2.064 7.349 -13.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.479 6.706 -16.035 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.975 8.330 -15.611 1.00 0.00 H new ATOM 0 HG SER A 71 3.647 7.701 -16.557 1.00 0.00 H new ATOM 1093 N THR A 72 4.002 5.780 -13.476 1.00 0.00 N ATOM 1094 CA THR A 72 5.027 4.660 -13.549 1.00 0.00 C ATOM 1095 C THR A 72 4.375 3.279 -13.382 1.00 0.00 C ATOM 1096 O THR A 72 3.567 3.071 -12.501 1.00 0.00 O ATOM 1097 CB THR A 72 6.092 4.875 -12.450 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.979 3.787 -12.619 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.613 4.621 -11.041 1.00 0.00 C ATOM 0 H THR A 72 3.581 5.928 -12.559 1.00 0.00 H new ATOM 0 HA THR A 72 5.492 4.686 -14.534 1.00 0.00 H new ATOM 0 HB THR A 72 6.452 5.899 -12.548 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.698 3.845 -11.955 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.430 4.798 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.786 5.293 -10.811 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.276 3.588 -10.952 1.00 0.00 H new ATOM 1107 N SER A 73 4.715 2.338 -14.216 1.00 0.00 N ATOM 1108 CA SER A 73 4.091 0.964 -14.091 1.00 0.00 C ATOM 1109 C SER A 73 5.013 -0.224 -13.744 1.00 0.00 C ATOM 1110 O SER A 73 6.203 -0.216 -13.976 1.00 0.00 O ATOM 1111 CB SER A 73 3.377 0.663 -15.414 1.00 0.00 C ATOM 1112 OG SER A 73 2.725 -0.584 -15.182 1.00 0.00 O ATOM 0 H SER A 73 5.388 2.445 -14.975 1.00 0.00 H new ATOM 0 HA SER A 73 3.436 1.035 -13.223 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.662 1.445 -15.668 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.083 0.596 -16.242 1.00 0.00 H new ATOM 0 HG SER A 73 2.250 -0.551 -14.325 1.00 0.00 H new ATOM 1118 N THR A 74 4.423 -1.236 -13.177 1.00 0.00 N ATOM 1119 CA THR A 74 5.170 -2.488 -12.776 1.00 0.00 C ATOM 1120 C THR A 74 4.409 -3.769 -13.151 1.00 0.00 C ATOM 1121 O THR A 74 3.208 -3.832 -12.999 1.00 0.00 O ATOM 1122 CB THR A 74 5.395 -2.499 -11.262 1.00 0.00 C ATOM 1123 OG1 THR A 74 6.151 -1.335 -10.991 1.00 0.00 O ATOM 1124 CG2 THR A 74 6.417 -3.530 -10.837 1.00 0.00 C ATOM 0 H THR A 74 3.426 -1.260 -12.963 1.00 0.00 H new ATOM 0 HA THR A 74 6.117 -2.473 -13.315 1.00 0.00 H new ATOM 0 HB THR A 74 4.422 -2.635 -10.789 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.331 -1.278 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.539 -3.496 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.077 -4.523 -11.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.372 -3.315 -11.317 1.00 0.00 H new ATOM 1132 N THR A 75 5.111 -4.758 -13.625 1.00 0.00 N ATOM 1133 CA THR A 75 4.469 -6.082 -14.023 1.00 0.00 C ATOM 1134 C THR A 75 4.912 -7.153 -13.036 1.00 0.00 C ATOM 1135 O THR A 75 5.958 -7.006 -12.434 1.00 0.00 O ATOM 1136 CB THR A 75 4.924 -6.574 -15.425 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.316 -5.708 -16.364 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.254 -7.882 -15.856 1.00 0.00 C ATOM 0 H THR A 75 6.121 -4.723 -13.763 1.00 0.00 H new ATOM 0 HA THR A 75 3.391 -5.919 -14.031 1.00 0.00 H new ATOM 0 HB THR A 75 6.011 -6.644 -15.385 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.574 -5.976 -17.271 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.616 -8.168 -16.843 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.494 -8.667 -15.139 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.174 -7.743 -15.893 1.00 0.00 H new ATOM 1146 N PHE A 76 4.157 -8.200 -12.889 1.00 0.00 N ATOM 1147 CA PHE A 76 4.544 -9.289 -11.933 1.00 0.00 C ATOM 1148 C PHE A 76 4.927 -10.608 -12.663 1.00 0.00 C ATOM 1149 O PHE A 76 4.098 -11.471 -12.861 1.00 0.00 O ATOM 1150 CB PHE A 76 3.341 -9.494 -10.968 1.00 0.00 C ATOM 1151 CG PHE A 76 2.995 -8.153 -10.312 1.00 0.00 C ATOM 1152 CD1 PHE A 76 2.207 -7.242 -10.978 1.00 0.00 C ATOM 1153 CD2 PHE A 76 3.475 -7.829 -9.061 1.00 0.00 C ATOM 1154 CE1 PHE A 76 1.902 -6.028 -10.415 1.00 0.00 C ATOM 1155 CE2 PHE A 76 3.170 -6.610 -8.489 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.382 -5.709 -9.167 1.00 0.00 C ATOM 0 H PHE A 76 3.282 -8.357 -13.389 1.00 0.00 H new ATOM 0 HA PHE A 76 5.437 -9.000 -11.379 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.480 -9.879 -11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.591 -10.233 -10.206 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.823 -7.486 -11.958 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.094 -8.533 -8.525 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.285 -5.323 -10.953 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.550 -6.364 -7.509 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.142 -4.755 -8.721 1.00 0.00 H new ATOM 1166 N PRO A 77 6.174 -10.749 -13.062 1.00 0.00 N ATOM 1167 CA PRO A 77 6.738 -12.094 -13.307 1.00 0.00 C ATOM 1168 C PRO A 77 7.221 -12.520 -11.936 1.00 0.00 C ATOM 1169 O PRO A 77 6.462 -13.182 -11.260 1.00 0.00 O ATOM 1170 CB PRO A 77 7.883 -11.917 -14.286 1.00 0.00 C ATOM 1171 CG PRO A 77 7.854 -10.359 -14.593 1.00 0.00 C ATOM 1172 CD PRO A 77 7.169 -9.704 -13.349 1.00 0.00 C ATOM 0 HA PRO A 77 6.053 -12.831 -13.728 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.835 -12.225 -13.854 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.737 -12.509 -15.189 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.861 -9.968 -14.738 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.296 -10.149 -15.505 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.861 -9.543 -12.523 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.714 -8.740 -13.577 1.00 0.00 H new ATOM 1180 N ALA A 78 8.441 -12.076 -11.621 1.00 0.00 N ATOM 1181 CA ALA A 78 9.178 -12.341 -10.326 1.00 0.00 C ATOM 1182 C ALA A 78 8.174 -13.087 -9.477 1.00 0.00 C ATOM 1183 O ALA A 78 7.536 -12.519 -8.620 1.00 0.00 O ATOM 1184 CB ALA A 78 9.592 -10.951 -9.765 1.00 0.00 C ATOM 0 H ALA A 78 8.984 -11.500 -12.264 1.00 0.00 H new ATOM 0 HA ALA A 78 10.090 -12.934 -10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.130 -11.083 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.236 -10.445 -10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.700 -10.349 -9.591 1.00 0.00 H new ATOM 1190 N ASP A 79 8.156 -14.338 -9.809 1.00 0.00 N ATOM 1191 CA ASP A 79 7.262 -15.429 -9.234 1.00 0.00 C ATOM 1192 C ASP A 79 6.499 -14.988 -7.921 1.00 0.00 C ATOM 1193 O ASP A 79 6.648 -15.427 -6.794 1.00 0.00 O ATOM 1194 CB ASP A 79 8.226 -16.667 -9.117 1.00 0.00 C ATOM 1195 CG ASP A 79 8.749 -17.051 -10.492 1.00 0.00 C ATOM 1196 OD1 ASP A 79 9.615 -16.331 -10.961 1.00 0.00 O ATOM 1197 OD2 ASP A 79 8.240 -18.035 -10.983 1.00 0.00 O ATOM 0 H ASP A 79 8.782 -14.702 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 79 6.407 -15.677 -9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.059 -16.428 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.697 -17.510 -8.672 1.00 0.00 H new ATOM 1202 N ALA A 80 5.634 -14.051 -8.259 1.00 0.00 N ATOM 1203 CA ALA A 80 4.660 -13.307 -7.382 1.00 0.00 C ATOM 1204 C ALA A 80 3.152 -13.731 -7.627 1.00 0.00 C ATOM 1205 O ALA A 80 2.349 -12.938 -8.089 1.00 0.00 O ATOM 1206 CB ALA A 80 4.924 -11.798 -7.696 1.00 0.00 C ATOM 0 H ALA A 80 5.564 -13.742 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 80 4.813 -13.536 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.255 -11.179 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.958 -11.552 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.744 -11.610 -8.754 1.00 0.00 H new ATOM 1212 N PRO A 81 2.823 -14.968 -7.315 1.00 0.00 N ATOM 1213 CA PRO A 81 1.451 -15.557 -7.493 1.00 0.00 C ATOM 1214 C PRO A 81 0.459 -15.259 -6.329 1.00 0.00 C ATOM 1215 O PRO A 81 0.679 -14.400 -5.495 1.00 0.00 O ATOM 1216 CB PRO A 81 1.774 -17.032 -7.659 1.00 0.00 C ATOM 1217 CG PRO A 81 2.826 -17.194 -6.526 1.00 0.00 C ATOM 1218 CD PRO A 81 3.759 -15.989 -6.753 1.00 0.00 C ATOM 0 HA PRO A 81 0.908 -15.126 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.902 -17.670 -7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.180 -17.264 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.365 -17.168 -5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.361 -18.140 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.221 -15.651 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.568 -16.225 -7.445 1.00 0.00 H new ATOM 1226 N ALA A 82 -0.616 -15.984 -6.339 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.708 -15.892 -5.321 1.00 0.00 C ATOM 1228 C ALA A 82 -1.382 -15.344 -3.878 1.00 0.00 C ATOM 1229 O ALA A 82 -0.386 -15.674 -3.260 1.00 0.00 O ATOM 1230 CB ALA A 82 -2.299 -17.318 -5.272 1.00 0.00 C ATOM 0 H ALA A 82 -0.798 -16.684 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.390 -15.107 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.113 -17.350 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.679 -17.588 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.523 -18.024 -4.977 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.262 -14.520 -3.375 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.098 -13.903 -1.991 1.00 0.00 C ATOM 1238 C GLY A 83 -2.069 -12.370 -1.909 1.00 0.00 C ATOM 1239 O GLY A 83 -2.035 -11.680 -2.910 1.00 0.00 O ATOM 0 H GLY A 83 -3.111 -14.232 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.914 -14.260 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.172 -14.283 -1.559 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.063 -11.901 -0.699 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.047 -10.438 -0.355 1.00 0.00 C ATOM 1245 C GLU A 84 -0.666 -9.791 -0.023 1.00 0.00 C ATOM 1246 O GLU A 84 -0.024 -10.146 0.944 1.00 0.00 O ATOM 1247 CB GLU A 84 -3.012 -10.261 0.858 1.00 0.00 C ATOM 1248 CG GLU A 84 -4.423 -10.963 0.657 1.00 0.00 C ATOM 1249 CD GLU A 84 -4.327 -12.469 0.408 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -3.696 -13.118 1.220 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -4.885 -12.876 -0.590 1.00 0.00 O ATOM 0 H GLU A 84 -2.069 -12.505 0.123 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.350 -9.909 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.537 -10.667 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.167 -9.197 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.036 -10.788 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.935 -10.496 -0.184 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.247 -8.862 -0.840 1.00 0.00 N ATOM 1259 CA TYR A 85 1.068 -8.123 -0.658 1.00 0.00 C ATOM 1260 C TYR A 85 0.856 -6.598 -0.350 1.00 0.00 C ATOM 1261 O TYR A 85 0.023 -6.001 -1.009 1.00 0.00 O ATOM 1262 CB TYR A 85 1.901 -8.185 -1.950 1.00 0.00 C ATOM 1263 CG TYR A 85 2.134 -9.562 -2.569 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.126 -10.203 -3.264 1.00 0.00 C ATOM 1265 CD2 TYR A 85 3.373 -10.163 -2.462 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.363 -11.432 -3.849 1.00 0.00 C ATOM 1267 CE2 TYR A 85 3.598 -11.391 -3.053 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.595 -12.020 -3.743 1.00 0.00 C ATOM 1269 OH TYR A 85 2.828 -13.238 -4.320 1.00 0.00 O ATOM 0 H TYR A 85 -0.773 -8.564 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 85 1.571 -8.610 0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.413 -7.558 -2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.874 -7.738 -1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.153 -9.743 -3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.166 -9.673 -1.916 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.574 -11.931 -4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.569 -11.857 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 85 1.974 -13.658 -4.555 1.00 0.00 H new ATOM 1279 N THR A 86 1.564 -5.988 0.570 1.00 0.00 N ATOM 1280 CA THR A 86 1.359 -4.503 0.864 1.00 0.00 C ATOM 1281 C THR A 86 2.542 -3.570 0.521 1.00 0.00 C ATOM 1282 O THR A 86 3.694 -3.845 0.779 1.00 0.00 O ATOM 1283 CB THR A 86 1.059 -4.275 2.370 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.288 -4.674 2.568 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.913 -2.806 2.750 1.00 0.00 C ATOM 0 H THR A 86 2.279 -6.441 1.139 1.00 0.00 H new ATOM 0 HA THR A 86 0.527 -4.242 0.210 1.00 0.00 H new ATOM 0 HB THR A 86 1.858 -4.777 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.530 -4.551 3.510 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.704 -2.725 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.838 -2.277 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.092 -2.364 2.185 1.00 0.00 H new ATOM 1293 N PHE A 87 2.211 -2.463 -0.077 1.00 0.00 N ATOM 1294 CA PHE A 87 3.182 -1.410 -0.487 1.00 0.00 C ATOM 1295 C PHE A 87 2.919 -0.070 0.241 1.00 0.00 C ATOM 1296 O PHE A 87 1.839 0.481 0.150 1.00 0.00 O ATOM 1297 CB PHE A 87 3.109 -1.169 -2.024 1.00 0.00 C ATOM 1298 CG PHE A 87 1.824 -1.669 -2.658 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.649 -3.018 -2.805 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.848 -0.808 -3.087 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.514 -3.519 -3.378 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.299 -1.297 -3.666 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.472 -2.658 -3.816 1.00 0.00 C ATOM 0 H PHE A 87 1.246 -2.233 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 87 4.174 -1.768 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.210 -0.102 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.956 -1.663 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.418 -3.696 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.980 0.257 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.389 -4.586 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.066 -0.615 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.371 -3.046 -4.272 1.00 0.00 H new ATOM 1313 N TYR A 88 3.874 0.451 0.947 1.00 0.00 N ATOM 1314 CA TYR A 88 3.689 1.741 1.678 1.00 0.00 C ATOM 1315 C TYR A 88 4.526 2.916 1.107 1.00 0.00 C ATOM 1316 O TYR A 88 5.671 2.741 0.746 1.00 0.00 O ATOM 1317 CB TYR A 88 4.043 1.452 3.162 1.00 0.00 C ATOM 1318 CG TYR A 88 5.473 0.921 3.264 1.00 0.00 C ATOM 1319 CD1 TYR A 88 5.763 -0.416 3.087 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.497 1.791 3.527 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.067 -0.869 3.174 1.00 0.00 C ATOM 1322 CE2 TYR A 88 7.789 1.336 3.612 1.00 0.00 C ATOM 1323 CZ TYR A 88 8.091 0.011 3.440 1.00 0.00 C ATOM 1324 OH TYR A 88 9.413 -0.375 3.549 1.00 0.00 O ATOM 0 H TYR A 88 4.798 0.033 1.055 1.00 0.00 H new ATOM 0 HA TYR A 88 2.659 2.079 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.941 2.362 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.345 0.724 3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.966 -1.114 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.287 2.841 3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.282 -1.918 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.584 2.037 3.819 1.00 0.00 H new ATOM 0 HH TYR A 88 9.968 0.410 3.739 1.00 0.00 H new ATOM 1334 N CYS A 89 3.953 4.086 1.035 1.00 0.00 N ATOM 1335 CA CYS A 89 4.702 5.282 0.491 1.00 0.00 C ATOM 1336 C CYS A 89 5.565 5.944 1.594 1.00 0.00 C ATOM 1337 O CYS A 89 5.349 7.086 1.946 1.00 0.00 O ATOM 1338 CB CYS A 89 3.663 6.294 -0.067 1.00 0.00 C ATOM 1339 SG CYS A 89 4.302 7.793 -0.860 1.00 0.00 S ATOM 0 H CYS A 89 2.995 4.278 1.328 1.00 0.00 H new ATOM 0 HA CYS A 89 5.377 4.962 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.038 5.771 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.014 6.598 0.754 1.00 0.00 H new ATOM 1344 N GLU A 90 6.511 5.201 2.102 1.00 0.00 N ATOM 1345 CA GLU A 90 7.451 5.675 3.192 1.00 0.00 C ATOM 1346 C GLU A 90 7.544 7.230 3.467 1.00 0.00 C ATOM 1347 O GLU A 90 7.145 7.660 4.534 1.00 0.00 O ATOM 1348 CB GLU A 90 8.828 5.019 2.822 1.00 0.00 C ATOM 1349 CG GLU A 90 9.863 5.267 3.979 1.00 0.00 C ATOM 1350 CD GLU A 90 9.357 4.746 5.308 1.00 0.00 C ATOM 1351 OE1 GLU A 90 9.182 3.553 5.461 1.00 0.00 O ATOM 1352 OE2 GLU A 90 9.136 5.568 6.170 1.00 0.00 O ATOM 0 H GLU A 90 6.687 4.243 1.801 1.00 0.00 H new ATOM 0 HA GLU A 90 7.060 5.362 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.700 3.949 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.203 5.440 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.807 4.780 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.067 6.335 4.061 1.00 0.00 H new ATOM 1359 N PRO A 91 8.021 8.048 2.546 1.00 0.00 N ATOM 1360 CA PRO A 91 8.086 9.548 2.718 1.00 0.00 C ATOM 1361 C PRO A 91 6.794 10.231 3.255 1.00 0.00 C ATOM 1362 O PRO A 91 6.805 11.284 3.859 1.00 0.00 O ATOM 1363 CB PRO A 91 8.515 10.034 1.313 1.00 0.00 C ATOM 1364 CG PRO A 91 8.099 8.857 0.393 1.00 0.00 C ATOM 1365 CD PRO A 91 8.526 7.635 1.212 1.00 0.00 C ATOM 0 HA PRO A 91 8.782 9.828 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.012 10.960 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.587 10.226 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.028 8.857 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.605 8.897 -0.572 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.068 6.712 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.605 7.480 1.202 1.00 0.00 H new ATOM 1373 N HIS A 92 5.694 9.593 2.998 1.00 0.00 N ATOM 1374 CA HIS A 92 4.339 10.075 3.426 1.00 0.00 C ATOM 1375 C HIS A 92 3.666 9.055 4.369 1.00 0.00 C ATOM 1376 O HIS A 92 2.493 9.173 4.671 1.00 0.00 O ATOM 1377 CB HIS A 92 3.461 10.245 2.206 1.00 0.00 C ATOM 1378 CG HIS A 92 3.922 11.324 1.255 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.872 11.079 -0.036 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.380 12.608 1.489 1.00 0.00 C ATOM 1381 CE1 HIS A 92 4.289 12.197 -0.597 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.580 13.080 0.296 1.00 0.00 N ATOM 0 H HIS A 92 5.669 8.713 2.484 1.00 0.00 H new ATOM 0 HA HIS A 92 4.463 11.023 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.418 9.298 1.669 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.446 10.473 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.534 13.100 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.375 12.352 -1.662 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.920 14.020 0.093 1.00 0.00 H new ATOM 1390 N ARG A 93 4.414 8.091 4.828 1.00 0.00 N ATOM 1391 CA ARG A 93 3.896 7.019 5.750 1.00 0.00 C ATOM 1392 C ARG A 93 3.847 7.607 7.191 1.00 0.00 C ATOM 1393 O ARG A 93 4.553 7.286 8.126 1.00 0.00 O ATOM 1394 CB ARG A 93 4.875 5.827 5.536 1.00 0.00 C ATOM 1395 CG ARG A 93 4.402 4.462 6.163 1.00 0.00 C ATOM 1396 CD ARG A 93 4.205 4.458 7.708 1.00 0.00 C ATOM 1397 NE ARG A 93 5.517 4.711 8.437 1.00 0.00 N ATOM 1398 CZ ARG A 93 6.622 4.936 7.857 1.00 0.00 C ATOM 1399 NH1 ARG A 93 7.291 3.972 7.435 1.00 0.00 N ATOM 1400 NH2 ARG A 93 6.984 6.120 7.738 1.00 0.00 N ATOM 0 H ARG A 93 5.403 7.992 4.597 1.00 0.00 H new ATOM 0 HA ARG A 93 2.881 6.670 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.025 5.686 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.843 6.090 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.460 4.176 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.132 3.694 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.480 5.223 7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.792 3.499 8.021 1.00 0.00 H new ATOM 0 HE ARG A 93 5.507 4.699 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.947 3.020 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.182 4.136 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.398 6.871 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.867 6.339 7.277 1.00 0.00 H new ATOM 1414 N GLY A 94 2.930 8.523 7.216 1.00 0.00 N ATOM 1415 CA GLY A 94 2.496 9.380 8.371 1.00 0.00 C ATOM 1416 C GLY A 94 0.995 9.611 8.192 1.00 0.00 C ATOM 1417 O GLY A 94 0.227 9.570 9.123 1.00 0.00 O ATOM 0 H GLY A 94 2.395 8.741 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.703 8.887 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.037 10.326 8.378 1.00 0.00 H new ATOM 1421 N ALA A 95 0.611 9.836 6.959 1.00 0.00 N ATOM 1422 CA ALA A 95 -0.832 10.083 6.618 1.00 0.00 C ATOM 1423 C ALA A 95 -1.485 8.834 5.943 1.00 0.00 C ATOM 1424 O ALA A 95 -2.197 8.885 4.961 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.828 11.334 5.708 1.00 0.00 C ATOM 0 H ALA A 95 1.244 9.860 6.160 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.441 10.256 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.850 11.576 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.395 12.176 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.235 11.133 4.816 1.00 0.00 H new ATOM 1431 N GLY A 96 -1.189 7.704 6.519 1.00 0.00 N ATOM 1432 CA GLY A 96 -1.725 6.379 6.030 1.00 0.00 C ATOM 1433 C GLY A 96 -1.015 5.725 4.846 1.00 0.00 C ATOM 1434 O GLY A 96 -0.471 4.655 4.967 1.00 0.00 O ATOM 0 H GLY A 96 -0.580 7.630 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.702 5.678 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.772 6.519 5.759 1.00 0.00 H new ATOM 1438 N MET A 97 -1.045 6.410 3.747 1.00 0.00 N ATOM 1439 CA MET A 97 -0.423 5.964 2.430 1.00 0.00 C ATOM 1440 C MET A 97 0.076 4.465 2.211 1.00 0.00 C ATOM 1441 O MET A 97 1.195 4.227 1.784 1.00 0.00 O ATOM 1442 CB MET A 97 0.764 6.955 2.136 1.00 0.00 C ATOM 1443 CG MET A 97 0.306 8.438 2.077 1.00 0.00 C ATOM 1444 SD MET A 97 0.651 9.403 0.577 1.00 0.00 S ATOM 1445 CE MET A 97 -0.874 9.118 -0.351 1.00 0.00 C ATOM 0 H MET A 97 -1.499 7.321 3.684 1.00 0.00 H new ATOM 0 HA MET A 97 -1.265 5.986 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.524 6.844 2.909 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.231 6.685 1.189 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.771 8.457 2.241 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.766 8.959 2.917 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.640 8.619 -1.291 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.545 8.491 0.236 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.358 10.073 -0.558 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.772 3.514 2.522 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.504 2.036 2.374 1.00 0.00 C ATOM 1457 C VAL A 98 -1.442 1.288 1.370 1.00 0.00 C ATOM 1458 O VAL A 98 -2.644 1.247 1.579 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.651 1.355 3.760 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.555 1.660 4.647 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.917 1.825 4.516 1.00 0.00 C ATOM 0 H VAL A 98 -1.700 3.713 2.897 1.00 0.00 H new ATOM 0 HA VAL A 98 0.505 1.964 1.969 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.726 0.286 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.429 1.172 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.462 1.289 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.636 2.737 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.974 1.319 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.868 2.902 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.802 1.585 3.927 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.932 0.689 0.327 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.817 -0.048 -0.671 1.00 0.00 C ATOM 1473 C GLY A 99 -1.509 -1.536 -0.732 1.00 0.00 C ATOM 1474 O GLY A 99 -0.442 -1.934 -0.340 1.00 0.00 O ATOM 0 H GLY A 99 0.064 0.669 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.863 0.093 -0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.685 0.388 -1.661 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.423 -2.334 -1.189 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.159 -3.819 -1.280 1.00 0.00 C ATOM 1480 C LYS A 100 -2.732 -4.513 -2.534 1.00 0.00 C ATOM 1481 O LYS A 100 -3.778 -4.173 -3.056 1.00 0.00 O ATOM 1482 CB LYS A 100 -2.723 -4.557 0.005 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.901 -3.808 0.657 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.259 -2.859 1.708 1.00 0.00 C ATOM 1485 CE LYS A 100 -4.208 -1.773 2.124 1.00 0.00 C ATOM 1486 NZ LYS A 100 -3.425 -0.909 3.056 1.00 0.00 N ATOM 0 H LYS A 100 -3.346 -2.038 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.074 -3.900 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.045 -5.561 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.921 -4.669 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.468 -3.246 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.595 -4.503 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.958 -3.435 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.355 -2.414 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.560 -1.206 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.089 -2.186 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.971 -0.754 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.526 -1.376 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.232 0.006 2.601 1.00 0.00 H new ATOM 1500 N ILE A 101 -1.999 -5.490 -2.980 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.392 -6.293 -4.186 1.00 0.00 C ATOM 1502 C ILE A 101 -2.725 -7.732 -3.714 1.00 0.00 C ATOM 1503 O ILE A 101 -1.971 -8.347 -2.987 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.187 -6.288 -5.231 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.791 -6.166 -6.656 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.365 -7.604 -5.184 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.707 -6.367 -7.764 1.00 0.00 C ATOM 0 H ILE A 101 -1.119 -5.779 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.266 -5.868 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.526 -5.458 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.581 -6.907 -6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.253 -5.186 -6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.444 -7.554 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.053 -7.736 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.014 -8.447 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.170 -6.274 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.069 -5.610 -7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.264 -7.358 -7.664 1.00 0.00 H new ATOM 1519 N THR A 102 -3.841 -8.213 -4.141 1.00 0.00 N ATOM 1520 CA THR A 102 -4.346 -9.591 -3.802 1.00 0.00 C ATOM 1521 C THR A 102 -4.315 -10.406 -5.085 1.00 0.00 C ATOM 1522 O THR A 102 -5.179 -10.238 -5.924 1.00 0.00 O ATOM 1523 CB THR A 102 -5.787 -9.497 -3.280 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.669 -8.788 -2.064 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.320 -10.828 -2.815 1.00 0.00 C ATOM 0 H THR A 102 -4.472 -7.689 -4.747 1.00 0.00 H new ATOM 0 HA THR A 102 -3.730 -10.056 -3.032 1.00 0.00 H new ATOM 0 HB THR A 102 -6.419 -9.079 -4.064 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.556 -8.681 -1.660 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.342 -10.705 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.309 -11.534 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.695 -11.208 -2.007 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.361 -11.270 -5.271 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.375 -12.038 -6.554 1.00 0.00 C ATOM 1535 C VAL A 103 -4.212 -13.330 -6.436 1.00 0.00 C ATOM 1536 O VAL A 103 -4.180 -14.031 -5.445 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.883 -12.333 -6.936 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.753 -12.703 -8.419 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.964 -11.145 -6.614 1.00 0.00 C ATOM 0 H VAL A 103 -2.600 -11.477 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.852 -11.455 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.566 -13.182 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.707 -12.902 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.347 -13.593 -8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.112 -11.877 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.060 -11.391 -6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.293 -10.269 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.007 -10.931 -5.546 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.957 -13.588 -7.466 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.845 -14.788 -7.569 1.00 0.00 C ATOM 1551 C ALA A 104 -5.245 -15.802 -8.587 1.00 0.00 C ATOM 1552 O ALA A 104 -5.751 -16.013 -9.673 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.229 -14.232 -7.981 1.00 0.00 C ATOM 0 H ALA A 104 -4.992 -12.986 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.937 -15.346 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.938 -15.055 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.582 -13.536 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.143 -13.713 -8.936 1.00 0.00 H new ATOM 1559 N GLY A 105 -4.161 -16.375 -8.153 1.00 0.00 N ATOM 1560 CA GLY A 105 -3.377 -17.392 -8.935 1.00 0.00 C ATOM 1561 C GLY A 105 -1.890 -17.079 -8.790 1.00 0.00 C ATOM 1562 O GLY A 105 -1.193 -18.005 -8.439 1.00 0.00 O ATOM 1563 OXT GLY A 105 -1.514 -15.947 -9.023 1.00 0.00 O ATOM 0 H GLY A 105 -3.759 -16.173 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.589 -18.396 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.668 -17.368 -9.985 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 3.189 9.678 -0.841 1.00 0.00 CU