USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 604 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 20 ASN :FLIP amide:sc= 0.0753 F(o=-0.72,f=-0.017) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.0926 K(o=-0.017,f=-0.72) USER MOD Set 2.1: A 1 ASN N :NH3+ 152:sc= 0.0992 (180deg=-0.16) USER MOD Set 2.2: A 48 ASN : amide:sc= 0 X(o=0.099,f=-0.14) USER MOD Single : A 1 ASN : amide:sc= 0.226 X(o=0.23,f=-0.031) USER MOD Single : A 2 SER OG : rot -159:sc= 1.72 USER MOD Single : A 3 SER OG : rot -90:sc= 1.24 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0443 K(o=-0.044,f=-1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 12 MET CE :methyl -172:sc= -0.588 (180deg=-0.642) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 14 CYS SG : rot 117:sc= 0.208 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -173:sc= 0.07 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -176:sc= 0 (180deg=-0.0125) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0734) USER MOD Single : A 47 TYR OH : rot 130:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.819 -2.260 7.386 1.00 3.15 N ATOM 2 CA ASN A 1 -15.967 -1.996 8.564 1.00 2.15 C ATOM 3 C ASN A 1 -14.519 -2.103 8.119 1.00 1.64 C ATOM 4 O ASN A 1 -14.239 -2.916 7.244 1.00 2.59 O ATOM 5 CB ASN A 1 -16.236 -2.941 9.747 1.00 2.22 C ATOM 6 CG ASN A 1 -16.462 -4.402 9.352 1.00 2.59 C ATOM 7 OD1 ASN A 1 -17.405 -5.020 9.827 1.00 3.81 O ATOM 8 ND2 ASN A 1 -15.674 -4.949 8.430 1.00 2.59 N ATOM 0 H1 ASN A 1 -17.728 -2.658 7.697 1.00 3.15 H new ATOM 0 H2 ASN A 1 -16.987 -1.371 6.873 1.00 3.15 H new ATOM 0 H3 ASN A 1 -16.342 -2.937 6.757 1.00 3.15 H new ATOM 0 HA ASN A 1 -16.200 -0.998 8.935 1.00 2.15 H new ATOM 0 HB2 ASN A 1 -15.393 -2.890 10.436 1.00 2.22 H new ATOM 0 HB3 ASN A 1 -17.112 -2.584 10.289 1.00 2.22 H new ATOM 0 HD21 ASN A 1 -15.851 -5.900 8.107 1.00 2.59 H new ATOM 0 HD22 ASN A 1 -14.893 -4.417 8.046 1.00 2.59 H new ATOM 17 N SER A 2 -13.632 -1.279 8.675 1.00 1.37 N ATOM 18 CA SER A 2 -12.265 -1.187 8.187 1.00 0.92 C ATOM 19 C SER A 2 -11.369 -2.253 8.816 1.00 0.73 C ATOM 20 O SER A 2 -11.517 -2.562 9.996 1.00 1.05 O ATOM 21 CB SER A 2 -11.731 0.220 8.439 1.00 1.39 C ATOM 22 OG SER A 2 -12.575 1.169 7.820 1.00 2.70 O ATOM 0 H SER A 2 -13.840 -0.667 9.464 1.00 1.37 H new ATOM 0 HA SER A 2 -12.261 -1.377 7.114 1.00 0.92 H new ATOM 0 HB2 SER A 2 -11.677 0.412 9.511 1.00 1.39 H new ATOM 0 HB3 SER A 2 -10.718 0.310 8.047 1.00 1.39 H new ATOM 0 HG SER A 2 -12.083 2.005 7.685 1.00 2.70 H new ATOM 28 N SER A 3 -10.420 -2.762 8.029 1.00 0.60 N ATOM 29 CA SER A 3 -9.498 -3.833 8.377 1.00 0.52 C ATOM 30 C SER A 3 -8.076 -3.369 8.054 1.00 0.42 C ATOM 31 O SER A 3 -7.899 -2.384 7.335 1.00 0.46 O ATOM 32 CB SER A 3 -9.870 -5.079 7.567 1.00 0.79 C ATOM 33 OG SER A 3 -11.229 -5.400 7.782 1.00 1.77 O ATOM 0 H SER A 3 -10.270 -2.416 7.081 1.00 0.60 H new ATOM 0 HA SER A 3 -9.555 -4.078 9.438 1.00 0.52 H new ATOM 0 HB2 SER A 3 -9.692 -4.901 6.506 1.00 0.79 H new ATOM 0 HB3 SER A 3 -9.238 -5.917 7.860 1.00 0.79 H new ATOM 0 HG SER A 3 -11.305 -6.005 8.549 1.00 1.77 H new ATOM 39 N LYS A 4 -7.059 -4.053 8.586 1.00 0.44 N ATOM 40 CA LYS A 4 -5.668 -3.769 8.246 1.00 0.48 C ATOM 41 C LYS A 4 -5.302 -4.528 6.967 1.00 0.45 C ATOM 42 O LYS A 4 -5.745 -5.660 6.789 1.00 0.72 O ATOM 43 CB LYS A 4 -4.735 -4.123 9.413 1.00 0.67 C ATOM 44 CG LYS A 4 -5.134 -3.424 10.727 1.00 1.60 C ATOM 45 CD LYS A 4 -5.979 -4.320 11.657 1.00 2.87 C ATOM 46 CE LYS A 4 -5.263 -4.627 12.984 1.00 3.86 C ATOM 47 NZ LYS A 4 -5.174 -3.449 13.874 1.00 4.32 N ATOM 0 H LYS A 4 -7.178 -4.811 9.258 1.00 0.44 H new ATOM 0 HA LYS A 4 -5.545 -2.702 8.063 1.00 0.48 H new ATOM 0 HB2 LYS A 4 -4.742 -5.202 9.564 1.00 0.67 H new ATOM 0 HB3 LYS A 4 -3.714 -3.844 9.154 1.00 0.67 H new ATOM 0 HG2 LYS A 4 -4.232 -3.112 11.254 1.00 1.60 H new ATOM 0 HG3 LYS A 4 -5.696 -2.520 10.494 1.00 1.60 H new ATOM 0 HD2 LYS A 4 -6.930 -3.829 11.865 1.00 2.87 H new ATOM 0 HD3 LYS A 4 -6.209 -5.255 11.146 1.00 2.87 H new ATOM 0 HE2 LYS A 4 -5.793 -5.427 13.500 1.00 3.86 H new ATOM 0 HE3 LYS A 4 -4.258 -4.994 12.773 1.00 3.86 H new ATOM 0 HZ1 LYS A 4 -4.683 -3.713 14.752 1.00 4.32 H new ATOM 0 HZ2 LYS A 4 -4.645 -2.692 13.396 1.00 4.32 H new ATOM 0 HZ3 LYS A 4 -6.131 -3.112 14.101 1.00 4.32 H new ATOM 61 N CYS A 5 -4.530 -3.903 6.075 1.00 0.53 N ATOM 62 CA CYS A 5 -4.077 -4.476 4.812 1.00 0.57 C ATOM 63 C CYS A 5 -2.566 -4.667 4.902 1.00 0.45 C ATOM 64 O CYS A 5 -1.839 -3.709 5.164 1.00 0.55 O ATOM 65 CB CYS A 5 -4.407 -3.529 3.655 1.00 0.93 C ATOM 66 SG CYS A 5 -4.741 -4.498 2.173 1.00 1.36 S ATOM 0 H CYS A 5 -4.193 -2.951 6.220 1.00 0.53 H new ATOM 0 HA CYS A 5 -4.576 -5.428 4.630 1.00 0.57 H new ATOM 0 HB2 CYS A 5 -5.273 -2.917 3.906 1.00 0.93 H new ATOM 0 HB3 CYS A 5 -3.575 -2.847 3.478 1.00 0.93 H new ATOM 0 HG CYS A 5 -5.024 -3.699 1.187 1.00 1.36 H new ATOM 72 N TYR A 6 -2.085 -5.899 4.746 1.00 0.40 N ATOM 73 CA TYR A 6 -0.711 -6.244 5.075 1.00 0.42 C ATOM 74 C TYR A 6 0.018 -6.547 3.768 1.00 0.53 C ATOM 75 O TYR A 6 -0.140 -7.629 3.213 1.00 0.89 O ATOM 76 CB TYR A 6 -0.738 -7.411 6.079 1.00 0.66 C ATOM 77 CG TYR A 6 0.291 -7.303 7.183 1.00 0.73 C ATOM 78 CD1 TYR A 6 0.019 -6.502 8.308 1.00 1.95 C ATOM 79 CD2 TYR A 6 1.508 -8.005 7.099 1.00 1.96 C ATOM 80 CE1 TYR A 6 0.958 -6.404 9.349 1.00 2.13 C ATOM 81 CE2 TYR A 6 2.447 -7.903 8.140 1.00 2.29 C ATOM 82 CZ TYR A 6 2.174 -7.102 9.262 1.00 1.65 C ATOM 83 OH TYR A 6 3.095 -7.001 10.262 1.00 2.19 O ATOM 0 H TYR A 6 -2.637 -6.680 4.390 1.00 0.40 H new ATOM 0 HA TYR A 6 -0.165 -5.434 5.559 1.00 0.42 H new ATOM 0 HB2 TYR A 6 -1.730 -7.468 6.527 1.00 0.66 H new ATOM 0 HB3 TYR A 6 -0.578 -8.344 5.539 1.00 0.66 H new ATOM 0 HD1 TYR A 6 -0.914 -5.961 8.371 1.00 1.95 H new ATOM 0 HD2 TYR A 6 1.720 -8.620 6.237 1.00 1.96 H new ATOM 0 HE1 TYR A 6 0.745 -5.793 10.214 1.00 2.13 H new ATOM 0 HE2 TYR A 6 3.381 -8.442 8.077 1.00 2.29 H new ATOM 0 HH TYR A 6 3.878 -7.548 10.042 1.00 2.19 H new ATOM 93 N ILE A 7 0.758 -5.580 3.216 1.00 0.37 N ATOM 94 CA ILE A 7 1.374 -5.711 1.897 1.00 0.39 C ATOM 95 C ILE A 7 2.890 -5.719 2.067 1.00 0.32 C ATOM 96 O ILE A 7 3.426 -5.195 3.046 1.00 0.37 O ATOM 97 CB ILE A 7 0.881 -4.589 0.956 1.00 0.46 C ATOM 98 CG1 ILE A 7 -0.656 -4.558 0.908 1.00 0.93 C ATOM 99 CG2 ILE A 7 1.349 -4.706 -0.505 1.00 0.40 C ATOM 100 CD1 ILE A 7 -1.171 -3.263 1.509 1.00 1.30 C ATOM 0 H ILE A 7 0.945 -4.687 3.672 1.00 0.37 H new ATOM 0 HA ILE A 7 1.081 -6.650 1.428 1.00 0.39 H new ATOM 0 HB ILE A 7 1.315 -3.686 1.385 1.00 0.46 H new ATOM 0 HG12 ILE A 7 -0.997 -4.650 -0.123 1.00 0.93 H new ATOM 0 HG13 ILE A 7 -1.062 -5.409 1.455 1.00 0.93 H new ATOM 0 HG21 ILE A 7 0.950 -3.872 -1.083 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.438 -4.684 -0.541 1.00 0.40 H new ATOM 0 HG23 ILE A 7 0.991 -5.645 -0.928 1.00 0.40 H new ATOM 0 HD11 ILE A 7 -2.260 -3.252 1.470 1.00 1.30 H new ATOM 0 HD12 ILE A 7 -0.844 -3.188 2.546 1.00 1.30 H new ATOM 0 HD13 ILE A 7 -0.779 -2.418 0.943 1.00 1.30 H new ATOM 112 N GLN A 8 3.588 -6.317 1.103 1.00 0.38 N ATOM 113 CA GLN A 8 5.035 -6.258 1.019 1.00 0.47 C ATOM 114 C GLN A 8 5.430 -5.908 -0.416 1.00 0.49 C ATOM 115 O GLN A 8 4.650 -6.145 -1.343 1.00 0.44 O ATOM 116 CB GLN A 8 5.609 -7.586 1.539 1.00 0.56 C ATOM 117 CG GLN A 8 7.134 -7.676 1.414 1.00 1.78 C ATOM 118 CD GLN A 8 7.737 -8.772 2.294 1.00 1.72 C ATOM 119 OE1 GLN A 8 7.248 -9.055 3.383 1.00 1.45 O ATOM 120 NE2 GLN A 8 8.824 -9.392 1.846 1.00 2.92 N ATOM 0 H GLN A 8 3.156 -6.859 0.355 1.00 0.38 H new ATOM 0 HA GLN A 8 5.459 -5.475 1.648 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.329 -7.710 2.585 1.00 0.56 H new ATOM 0 HB3 GLN A 8 5.157 -8.410 0.988 1.00 0.56 H new ATOM 0 HG2 GLN A 8 7.398 -7.865 0.374 1.00 1.78 H new ATOM 0 HG3 GLN A 8 7.573 -6.716 1.685 1.00 1.78 H new ATOM 0 HE21 GLN A 8 9.216 -9.143 0.938 1.00 2.92 H new ATOM 0 HE22 GLN A 8 9.267 -10.117 2.410 1.00 2.92 H new ATOM 129 N VAL A 9 6.613 -5.303 -0.585 1.00 0.62 N ATOM 130 CA VAL A 9 7.172 -4.962 -1.893 1.00 0.70 C ATOM 131 C VAL A 9 8.690 -5.125 -1.826 1.00 0.74 C ATOM 132 O VAL A 9 9.312 -4.735 -0.839 1.00 1.07 O ATOM 133 CB VAL A 9 6.830 -3.515 -2.307 1.00 0.98 C ATOM 134 CG1 VAL A 9 7.236 -3.260 -3.765 1.00 2.22 C ATOM 135 CG2 VAL A 9 5.347 -3.161 -2.137 1.00 2.12 C ATOM 0 H VAL A 9 7.214 -5.035 0.195 1.00 0.62 H new ATOM 0 HA VAL A 9 6.738 -5.628 -2.639 1.00 0.70 H new ATOM 0 HB VAL A 9 7.398 -2.876 -1.632 1.00 0.98 H new ATOM 0 HG11 VAL A 9 6.987 -2.235 -4.038 1.00 2.22 H new ATOM 0 HG12 VAL A 9 8.309 -3.415 -3.876 1.00 2.22 H new ATOM 0 HG13 VAL A 9 6.701 -3.950 -4.418 1.00 2.22 H new ATOM 0 HG21 VAL A 9 5.181 -2.129 -2.447 1.00 2.12 H new ATOM 0 HG22 VAL A 9 4.741 -3.827 -2.752 1.00 2.12 H new ATOM 0 HG23 VAL A 9 5.063 -3.275 -1.091 1.00 2.12 H new ATOM 145 N THR A 10 9.307 -5.668 -2.876 1.00 0.70 N ATOM 146 CA THR A 10 10.735 -5.935 -2.921 1.00 0.81 C ATOM 147 C THR A 10 11.501 -4.704 -3.404 1.00 0.82 C ATOM 148 O THR A 10 12.271 -4.762 -4.360 1.00 1.01 O ATOM 149 CB THR A 10 10.932 -7.177 -3.800 1.00 1.00 C ATOM 150 OG1 THR A 10 10.083 -7.072 -4.930 1.00 1.68 O ATOM 151 CG2 THR A 10 10.523 -8.432 -3.022 1.00 1.66 C ATOM 0 H THR A 10 8.817 -5.937 -3.729 1.00 0.70 H new ATOM 0 HA THR A 10 11.142 -6.142 -1.931 1.00 0.81 H new ATOM 0 HB THR A 10 11.978 -7.245 -4.098 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.200 -7.859 -5.502 1.00 1.68 H new ATOM 0 HG21 THR A 10 10.664 -9.312 -3.650 1.00 1.66 H new ATOM 0 HG22 THR A 10 11.139 -8.522 -2.127 1.00 1.66 H new ATOM 0 HG23 THR A 10 9.474 -8.356 -2.735 1.00 1.66 H new ATOM 159 N GLY A 11 11.317 -3.588 -2.697 1.00 1.15 N ATOM 160 CA GLY A 11 12.070 -2.369 -2.947 1.00 1.28 C ATOM 161 C GLY A 11 11.438 -1.194 -2.215 1.00 1.30 C ATOM 162 O GLY A 11 11.067 -0.194 -2.825 1.00 1.85 O ATOM 0 H GLY A 11 10.641 -3.509 -1.937 1.00 1.15 H new ATOM 0 HA2 GLY A 11 13.101 -2.498 -2.619 1.00 1.28 H new ATOM 0 HA3 GLY A 11 12.099 -2.165 -4.017 1.00 1.28 H new ATOM 166 N MET A 12 11.307 -1.333 -0.895 1.00 1.09 N ATOM 167 CA MET A 12 10.778 -0.287 -0.035 1.00 1.45 C ATOM 168 C MET A 12 11.774 0.867 0.041 1.00 1.93 C ATOM 169 O MET A 12 11.401 2.013 -0.206 1.00 2.59 O ATOM 170 CB MET A 12 10.510 -0.853 1.364 1.00 1.86 C ATOM 171 CG MET A 12 9.040 -0.802 1.800 1.00 2.81 C ATOM 172 SD MET A 12 7.888 -1.873 0.905 1.00 4.49 S ATOM 173 CE MET A 12 6.968 -0.627 -0.025 1.00 5.99 C ATOM 0 H MET A 12 11.568 -2.182 -0.394 1.00 1.09 H new ATOM 0 HA MET A 12 9.840 0.084 -0.448 1.00 1.45 H new ATOM 0 HB2 MET A 12 10.849 -1.888 1.394 1.00 1.86 H new ATOM 0 HB3 MET A 12 11.110 -0.300 2.087 1.00 1.86 H new ATOM 0 HG2 MET A 12 8.990 -1.058 2.858 1.00 2.81 H new ATOM 0 HG3 MET A 12 8.692 0.227 1.704 1.00 2.81 H new ATOM 0 HE1 MET A 12 6.121 -1.098 -0.525 1.00 5.99 H new ATOM 0 HE2 MET A 12 6.605 0.142 0.657 1.00 5.99 H new ATOM 0 HE3 MET A 12 7.622 -0.172 -0.769 1.00 5.99 H new ATOM 183 N THR A 13 13.023 0.554 0.410 1.00 2.26 N ATOM 184 CA THR A 13 14.124 1.482 0.647 1.00 3.15 C ATOM 185 C THR A 13 14.621 2.104 -0.659 1.00 2.32 C ATOM 186 O THR A 13 15.798 2.018 -1.001 1.00 2.83 O ATOM 187 CB THR A 13 15.236 0.719 1.389 1.00 4.42 C ATOM 188 OG1 THR A 13 14.625 -0.133 2.340 1.00 5.37 O ATOM 189 CG2 THR A 13 16.220 1.656 2.100 1.00 5.49 C ATOM 0 H THR A 13 13.303 -0.415 0.559 1.00 2.26 H new ATOM 0 HA THR A 13 13.787 2.316 1.262 1.00 3.15 H new ATOM 0 HB THR A 13 15.811 0.153 0.656 1.00 4.42 H new ATOM 0 HG1 THR A 13 15.316 -0.631 2.824 1.00 5.37 H new ATOM 0 HG21 THR A 13 16.983 1.065 2.607 1.00 5.49 H new ATOM 0 HG22 THR A 13 16.694 2.309 1.368 1.00 5.49 H new ATOM 0 HG23 THR A 13 15.683 2.260 2.832 1.00 5.49 H new ATOM 197 N CYS A 14 13.712 2.750 -1.384 1.00 1.44 N ATOM 198 CA CYS A 14 13.942 3.343 -2.682 1.00 0.99 C ATOM 199 C CYS A 14 13.794 4.850 -2.503 1.00 1.29 C ATOM 200 O CYS A 14 12.841 5.461 -2.987 1.00 2.65 O ATOM 201 CB CYS A 14 12.968 2.739 -3.703 1.00 1.50 C ATOM 202 SG CYS A 14 13.626 1.169 -4.318 1.00 2.63 S ATOM 0 H CYS A 14 12.753 2.876 -1.060 1.00 1.44 H new ATOM 0 HA CYS A 14 14.938 3.137 -3.074 1.00 0.99 H new ATOM 0 HB2 CYS A 14 11.994 2.580 -3.241 1.00 1.50 H new ATOM 0 HB3 CYS A 14 12.819 3.431 -4.531 1.00 1.50 H new ATOM 0 HG CYS A 14 12.822 0.202 -3.988 1.00 2.63 H new ATOM 208 N ALA A 15 14.730 5.422 -1.738 1.00 1.21 N ATOM 209 CA ALA A 15 14.808 6.827 -1.347 1.00 1.61 C ATOM 210 C ALA A 15 13.556 7.306 -0.603 1.00 1.64 C ATOM 211 O ALA A 15 13.595 7.520 0.606 1.00 3.17 O ATOM 212 CB ALA A 15 15.150 7.712 -2.553 1.00 2.34 C ATOM 0 H ALA A 15 15.502 4.878 -1.352 1.00 1.21 H new ATOM 0 HA ALA A 15 15.624 6.919 -0.630 1.00 1.61 H new ATOM 0 HB1 ALA A 15 15.202 8.754 -2.237 1.00 2.34 H new ATOM 0 HB2 ALA A 15 16.112 7.409 -2.965 1.00 2.34 H new ATOM 0 HB3 ALA A 15 14.378 7.603 -3.315 1.00 2.34 H new ATOM 218 N SER A 16 12.453 7.499 -1.326 1.00 0.95 N ATOM 219 CA SER A 16 11.182 7.963 -0.784 1.00 1.06 C ATOM 220 C SER A 16 10.000 7.467 -1.622 1.00 1.22 C ATOM 221 O SER A 16 8.928 8.062 -1.585 1.00 2.29 O ATOM 222 CB SER A 16 11.223 9.492 -0.649 1.00 1.54 C ATOM 223 OG SER A 16 11.707 10.086 -1.839 1.00 1.79 O ATOM 0 H SER A 16 12.421 7.332 -2.332 1.00 0.95 H new ATOM 0 HA SER A 16 11.030 7.540 0.209 1.00 1.06 H new ATOM 0 HB2 SER A 16 10.225 9.870 -0.428 1.00 1.54 H new ATOM 0 HB3 SER A 16 11.862 9.771 0.189 1.00 1.54 H new ATOM 0 HG SER A 16 11.724 11.060 -1.735 1.00 1.79 H new ATOM 229 N CYS A 17 10.162 6.345 -2.334 1.00 0.75 N ATOM 230 CA CYS A 17 9.118 5.757 -3.178 1.00 0.81 C ATOM 231 C CYS A 17 7.799 5.659 -2.410 1.00 0.72 C ATOM 232 O CYS A 17 6.751 6.153 -2.830 1.00 0.75 O ATOM 233 CB CYS A 17 9.537 4.353 -3.645 1.00 0.92 C ATOM 234 SG CYS A 17 8.895 4.100 -5.317 1.00 2.24 S ATOM 0 H CYS A 17 11.033 5.814 -2.339 1.00 0.75 H new ATOM 0 HA CYS A 17 8.981 6.402 -4.046 1.00 0.81 H new ATOM 0 HB2 CYS A 17 10.623 4.257 -3.636 1.00 0.92 H new ATOM 0 HB3 CYS A 17 9.145 3.594 -2.968 1.00 0.92 H new ATOM 0 HG CYS A 17 9.111 2.872 -5.684 1.00 2.24 H new ATOM 240 N VAL A 18 7.899 5.052 -1.224 1.00 0.66 N ATOM 241 CA VAL A 18 6.813 4.905 -0.275 1.00 0.55 C ATOM 242 C VAL A 18 6.103 6.226 -0.008 1.00 0.50 C ATOM 243 O VAL A 18 4.891 6.228 0.118 1.00 0.62 O ATOM 244 CB VAL A 18 7.343 4.269 1.019 1.00 0.54 C ATOM 245 CG1 VAL A 18 6.386 4.470 2.200 1.00 1.72 C ATOM 246 CG2 VAL A 18 7.604 2.782 0.773 1.00 1.80 C ATOM 0 H VAL A 18 8.772 4.638 -0.895 1.00 0.66 H new ATOM 0 HA VAL A 18 6.063 4.243 -0.708 1.00 0.55 H new ATOM 0 HB VAL A 18 8.274 4.767 1.291 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.805 4.003 3.091 1.00 1.72 H new ATOM 0 HG12 VAL A 18 6.249 5.536 2.380 1.00 1.72 H new ATOM 0 HG13 VAL A 18 5.423 4.014 1.970 1.00 1.72 H new ATOM 0 HG21 VAL A 18 7.981 2.323 1.687 1.00 1.80 H new ATOM 0 HG22 VAL A 18 6.675 2.294 0.477 1.00 1.80 H new ATOM 0 HG23 VAL A 18 8.342 2.669 -0.021 1.00 1.80 H new ATOM 256 N ALA A 19 6.822 7.342 0.076 1.00 0.56 N ATOM 257 CA ALA A 19 6.246 8.627 0.446 1.00 0.56 C ATOM 258 C ALA A 19 5.149 9.041 -0.541 1.00 0.53 C ATOM 259 O ALA A 19 4.129 9.616 -0.157 1.00 0.55 O ATOM 260 CB ALA A 19 7.361 9.674 0.512 1.00 0.66 C ATOM 0 H ALA A 19 7.824 7.378 -0.112 1.00 0.56 H new ATOM 0 HA ALA A 19 5.778 8.545 1.427 1.00 0.56 H new ATOM 0 HB1 ALA A 19 6.938 10.640 0.789 1.00 0.66 H new ATOM 0 HB2 ALA A 19 8.098 9.374 1.257 1.00 0.66 H new ATOM 0 HB3 ALA A 19 7.842 9.755 -0.463 1.00 0.66 H new ATOM 266 N ASN A 20 5.358 8.735 -1.824 1.00 0.55 N ATOM 267 CA ASN A 20 4.360 8.979 -2.856 1.00 0.57 C ATOM 268 C ASN A 20 3.151 8.079 -2.603 1.00 0.53 C ATOM 269 O ASN A 20 2.031 8.556 -2.419 1.00 0.60 O ATOM 270 CB ASN A 20 4.982 8.726 -4.234 1.00 0.64 C ATOM 271 CG ASN A 20 3.996 9.034 -5.358 1.00 0.68 C ATOM 272 OD1 ASN A 20 3.763 8.083 -6.261 1.00 1.14 O flip ATOM 273 ND2 ASN A 20 3.452 10.130 -5.422 1.00 0.98 N flip ATOM 0 H ASN A 20 6.220 8.314 -2.170 1.00 0.55 H new ATOM 0 HA ASN A 20 4.023 10.015 -2.828 1.00 0.57 H new ATOM 0 HB2 ASN A 20 5.873 9.343 -4.351 1.00 0.64 H new ATOM 0 HB3 ASN A 20 5.303 7.687 -4.304 1.00 0.64 H new ATOM 0 HD21 ASN A 20 3.649 10.839 -4.716 1.00 0.98 H new ATOM 0 HD22 ASN A 20 2.802 10.333 -6.181 1.00 0.98 H new ATOM 280 N ILE A 21 3.399 6.766 -2.546 1.00 0.49 N ATOM 281 CA ILE A 21 2.374 5.763 -2.279 1.00 0.49 C ATOM 282 C ILE A 21 1.572 6.129 -1.021 1.00 0.47 C ATOM 283 O ILE A 21 0.355 5.996 -1.036 1.00 0.59 O ATOM 284 CB ILE A 21 3.014 4.364 -2.181 1.00 0.52 C ATOM 285 CG1 ILE A 21 3.622 3.887 -3.514 1.00 0.63 C ATOM 286 CG2 ILE A 21 1.989 3.313 -1.744 1.00 0.61 C ATOM 287 CD1 ILE A 21 4.821 2.963 -3.270 1.00 1.73 C ATOM 0 H ILE A 21 4.329 6.370 -2.686 1.00 0.49 H new ATOM 0 HA ILE A 21 1.667 5.741 -3.109 1.00 0.49 H new ATOM 0 HB ILE A 21 3.808 4.465 -1.441 1.00 0.52 H new ATOM 0 HG12 ILE A 21 2.865 3.361 -4.096 1.00 0.63 H new ATOM 0 HG13 ILE A 21 3.936 4.748 -4.104 1.00 0.63 H new ATOM 0 HG21 ILE A 21 2.471 2.337 -1.684 1.00 0.61 H new ATOM 0 HG22 ILE A 21 1.588 3.580 -0.766 1.00 0.61 H new ATOM 0 HG23 ILE A 21 1.177 3.273 -2.470 1.00 0.61 H new ATOM 0 HD11 ILE A 21 5.232 2.640 -4.226 1.00 1.73 H new ATOM 0 HD12 ILE A 21 5.586 3.500 -2.709 1.00 1.73 H new ATOM 0 HD13 ILE A 21 4.499 2.091 -2.701 1.00 1.73 H new ATOM 299 N GLU A 22 2.212 6.600 0.054 1.00 0.42 N ATOM 300 CA GLU A 22 1.532 7.058 1.251 1.00 0.45 C ATOM 301 C GLU A 22 0.485 8.092 0.869 1.00 0.50 C ATOM 302 O GLU A 22 -0.699 7.854 1.033 1.00 0.60 O ATOM 303 CB GLU A 22 2.490 7.725 2.243 1.00 0.50 C ATOM 304 CG GLU A 22 3.314 6.818 3.154 1.00 0.63 C ATOM 305 CD GLU A 22 4.053 7.693 4.164 1.00 1.07 C ATOM 306 OE1 GLU A 22 3.387 8.610 4.708 1.00 2.54 O ATOM 307 OE2 GLU A 22 5.271 7.472 4.328 1.00 1.47 O ATOM 0 H GLU A 22 3.228 6.671 0.110 1.00 0.42 H new ATOM 0 HA GLU A 22 1.087 6.181 1.721 1.00 0.45 H new ATOM 0 HB2 GLU A 22 3.182 8.347 1.675 1.00 0.50 H new ATOM 0 HB3 GLU A 22 1.906 8.394 2.875 1.00 0.50 H new ATOM 0 HG2 GLU A 22 2.666 6.108 3.669 1.00 0.63 H new ATOM 0 HG3 GLU A 22 4.023 6.234 2.567 1.00 0.63 H new ATOM 314 N ARG A 23 0.926 9.261 0.410 1.00 0.56 N ATOM 315 CA ARG A 23 0.078 10.376 0.012 1.00 0.67 C ATOM 316 C ARG A 23 -1.085 9.887 -0.857 1.00 0.74 C ATOM 317 O ARG A 23 -2.234 10.239 -0.597 1.00 1.08 O ATOM 318 CB ARG A 23 0.929 11.422 -0.724 1.00 0.79 C ATOM 319 CG ARG A 23 1.967 12.092 0.191 1.00 1.58 C ATOM 320 CD ARG A 23 1.412 13.374 0.831 1.00 2.00 C ATOM 321 NE ARG A 23 2.377 14.002 1.753 1.00 3.29 N ATOM 322 CZ ARG A 23 3.470 14.697 1.391 1.00 3.94 C ATOM 323 NH1 ARG A 23 3.783 14.826 0.098 1.00 4.00 N ATOM 324 NH2 ARG A 23 4.243 15.264 2.326 1.00 5.28 N ATOM 0 H ARG A 23 1.920 9.462 0.302 1.00 0.56 H new ATOM 0 HA ARG A 23 -0.355 10.839 0.899 1.00 0.67 H new ATOM 0 HB2 ARG A 23 1.441 10.945 -1.560 1.00 0.79 H new ATOM 0 HB3 ARG A 23 0.275 12.186 -1.145 1.00 0.79 H new ATOM 0 HG2 ARG A 23 2.268 11.395 0.973 1.00 1.58 H new ATOM 0 HG3 ARG A 23 2.861 12.330 -0.385 1.00 1.58 H new ATOM 0 HD2 ARG A 23 1.147 14.084 0.047 1.00 2.00 H new ATOM 0 HD3 ARG A 23 0.495 13.140 1.372 1.00 2.00 H new ATOM 0 HE ARG A 23 2.200 13.900 2.752 1.00 3.29 H new ATOM 0 HH11 ARG A 23 3.193 14.397 -0.615 1.00 4.00 H new ATOM 0 HH12 ARG A 23 4.612 15.353 -0.176 1.00 4.00 H new ATOM 0 HH21 ARG A 23 4.003 15.169 3.313 1.00 5.28 H new ATOM 0 HH22 ARG A 23 5.072 15.791 2.051 1.00 5.28 H new ATOM 338 N ASN A 24 -0.781 9.053 -1.855 1.00 0.57 N ATOM 339 CA ASN A 24 -1.771 8.458 -2.748 1.00 0.62 C ATOM 340 C ASN A 24 -2.815 7.676 -1.939 1.00 0.63 C ATOM 341 O ASN A 24 -4.005 8.007 -1.921 1.00 0.80 O ATOM 342 CB ASN A 24 -1.070 7.522 -3.753 1.00 0.66 C ATOM 343 CG ASN A 24 0.021 8.191 -4.581 1.00 1.76 C ATOM 344 OD1 ASN A 24 0.113 9.413 -4.653 1.00 2.90 O ATOM 345 ND2 ASN A 24 0.875 7.376 -5.189 1.00 2.27 N ATOM 0 H ASN A 24 0.176 8.770 -2.066 1.00 0.57 H new ATOM 0 HA ASN A 24 -2.279 9.253 -3.294 1.00 0.62 H new ATOM 0 HB2 ASN A 24 -0.634 6.685 -3.208 1.00 0.66 H new ATOM 0 HB3 ASN A 24 -1.819 7.107 -4.428 1.00 0.66 H new ATOM 0 HD21 ASN A 24 1.642 7.760 -5.741 1.00 2.27 H new ATOM 0 HD22 ASN A 24 0.764 6.366 -5.104 1.00 2.27 H new ATOM 352 N LEU A 25 -2.347 6.628 -1.258 1.00 0.56 N ATOM 353 CA LEU A 25 -3.168 5.732 -0.469 1.00 0.59 C ATOM 354 C LEU A 25 -3.932 6.500 0.596 1.00 0.58 C ATOM 355 O LEU A 25 -5.060 6.143 0.878 1.00 0.86 O ATOM 356 CB LEU A 25 -2.328 4.606 0.156 1.00 0.64 C ATOM 357 CG LEU A 25 -1.806 3.575 -0.863 1.00 1.12 C ATOM 358 CD1 LEU A 25 -1.032 2.486 -0.117 1.00 2.53 C ATOM 359 CD2 LEU A 25 -2.918 2.889 -1.666 1.00 1.80 C ATOM 0 H LEU A 25 -1.358 6.380 -1.245 1.00 0.56 H new ATOM 0 HA LEU A 25 -3.892 5.267 -1.138 1.00 0.59 H new ATOM 0 HB2 LEU A 25 -1.479 5.047 0.679 1.00 0.64 H new ATOM 0 HB3 LEU A 25 -2.930 4.090 0.904 1.00 0.64 H new ATOM 0 HG LEU A 25 -1.179 4.125 -1.565 1.00 1.12 H new ATOM 0 HD11 LEU A 25 -0.659 1.751 -0.830 1.00 2.53 H new ATOM 0 HD12 LEU A 25 -0.193 2.935 0.414 1.00 2.53 H new ATOM 0 HD13 LEU A 25 -1.693 1.995 0.597 1.00 2.53 H new ATOM 0 HD21 LEU A 25 -2.477 2.177 -2.363 1.00 1.80 H new ATOM 0 HD22 LEU A 25 -3.587 2.363 -0.985 1.00 1.80 H new ATOM 0 HD23 LEU A 25 -3.481 3.639 -2.221 1.00 1.80 H new ATOM 371 N ARG A 26 -3.364 7.557 1.180 1.00 0.48 N ATOM 372 CA ARG A 26 -3.927 8.306 2.276 1.00 0.55 C ATOM 373 C ARG A 26 -5.401 8.625 2.018 1.00 0.90 C ATOM 374 O ARG A 26 -6.213 8.641 2.939 1.00 1.28 O ATOM 375 CB ARG A 26 -3.133 9.606 2.485 1.00 0.59 C ATOM 376 CG ARG A 26 -2.885 9.759 3.979 1.00 2.27 C ATOM 377 CD ARG A 26 -2.481 11.195 4.349 1.00 2.82 C ATOM 378 NE ARG A 26 -1.468 11.239 5.423 1.00 4.30 N ATOM 379 CZ ARG A 26 -0.168 10.905 5.291 1.00 5.68 C ATOM 380 NH1 ARG A 26 0.288 10.400 4.140 1.00 6.05 N ATOM 381 NH2 ARG A 26 0.679 11.075 6.311 1.00 7.22 N ATOM 0 H ARG A 26 -2.459 7.920 0.880 1.00 0.48 H new ATOM 0 HA ARG A 26 -3.863 7.698 3.178 1.00 0.55 H new ATOM 0 HB2 ARG A 26 -2.189 9.569 1.942 1.00 0.59 H new ATOM 0 HB3 ARG A 26 -3.689 10.461 2.100 1.00 0.59 H new ATOM 0 HG2 ARG A 26 -3.786 9.483 4.527 1.00 2.27 H new ATOM 0 HG3 ARG A 26 -2.100 9.070 4.289 1.00 2.27 H new ATOM 0 HD2 ARG A 26 -2.090 11.698 3.465 1.00 2.82 H new ATOM 0 HD3 ARG A 26 -3.366 11.748 4.666 1.00 2.82 H new ATOM 0 HE ARG A 26 -1.778 11.549 6.344 1.00 4.30 H new ATOM 0 HH11 ARG A 26 -0.349 10.265 3.355 1.00 6.05 H new ATOM 0 HH12 ARG A 26 1.272 10.150 4.047 1.00 6.05 H new ATOM 0 HH21 ARG A 26 0.343 11.459 7.194 1.00 7.22 H new ATOM 0 HH22 ARG A 26 1.661 10.821 6.206 1.00 7.22 H new ATOM 395 N ARG A 27 -5.705 8.903 0.746 1.00 1.12 N ATOM 396 CA ARG A 27 -7.048 9.056 0.231 1.00 1.68 C ATOM 397 C ARG A 27 -7.556 7.696 -0.269 1.00 1.38 C ATOM 398 O ARG A 27 -8.446 7.093 0.338 1.00 2.16 O ATOM 399 CB ARG A 27 -7.011 10.111 -0.891 1.00 2.59 C ATOM 400 CG ARG A 27 -6.549 11.492 -0.392 1.00 3.01 C ATOM 401 CD ARG A 27 -7.685 12.238 0.318 1.00 3.64 C ATOM 402 NE ARG A 27 -7.176 13.375 1.102 1.00 4.04 N ATOM 403 CZ ARG A 27 -7.949 14.183 1.845 1.00 4.85 C ATOM 404 NH1 ARG A 27 -9.279 14.054 1.796 1.00 5.26 N ATOM 405 NH2 ARG A 27 -7.392 15.109 2.634 1.00 5.80 N ATOM 0 H ARG A 27 -4.989 9.030 0.030 1.00 1.12 H new ATOM 0 HA ARG A 27 -7.737 9.396 1.004 1.00 1.68 H new ATOM 0 HB2 ARG A 27 -6.341 9.772 -1.681 1.00 2.59 H new ATOM 0 HB3 ARG A 27 -8.004 10.202 -1.332 1.00 2.59 H new ATOM 0 HG2 ARG A 27 -5.708 11.371 0.291 1.00 3.01 H new ATOM 0 HG3 ARG A 27 -6.193 12.085 -1.235 1.00 3.01 H new ATOM 0 HD2 ARG A 27 -8.404 12.596 -0.419 1.00 3.64 H new ATOM 0 HD3 ARG A 27 -8.218 11.551 0.975 1.00 3.64 H new ATOM 0 HE ARG A 27 -6.173 13.561 1.079 1.00 4.04 H new ATOM 0 HH11 ARG A 27 -9.701 13.345 1.197 1.00 5.26 H new ATOM 0 HH12 ARG A 27 -9.872 14.665 2.358 1.00 5.26 H new ATOM 0 HH21 ARG A 27 -6.377 15.203 2.672 1.00 5.80 H new ATOM 0 HH22 ARG A 27 -7.982 15.721 3.197 1.00 5.80 H new ATOM 419 N GLU A 28 -6.996 7.231 -1.394 1.00 1.13 N ATOM 420 CA GLU A 28 -7.566 6.158 -2.211 1.00 1.26 C ATOM 421 C GLU A 28 -9.081 6.380 -2.393 1.00 1.54 C ATOM 422 O GLU A 28 -9.551 7.516 -2.289 1.00 2.55 O ATOM 423 CB GLU A 28 -7.193 4.814 -1.556 1.00 1.14 C ATOM 424 CG GLU A 28 -6.342 3.889 -2.437 1.00 1.87 C ATOM 425 CD GLU A 28 -7.172 2.974 -3.326 1.00 2.05 C ATOM 426 OE1 GLU A 28 -8.311 3.380 -3.641 1.00 2.35 O ATOM 427 OE2 GLU A 28 -6.685 1.857 -3.600 1.00 3.24 O ATOM 0 H GLU A 28 -6.120 7.598 -1.766 1.00 1.13 H new ATOM 0 HA GLU A 28 -7.156 6.153 -3.221 1.00 1.26 H new ATOM 0 HB2 GLU A 28 -6.651 5.013 -0.631 1.00 1.14 H new ATOM 0 HB3 GLU A 28 -8.109 4.291 -1.282 1.00 1.14 H new ATOM 0 HG2 GLU A 28 -5.687 4.496 -3.062 1.00 1.87 H new ATOM 0 HG3 GLU A 28 -5.700 3.281 -1.800 1.00 1.87 H new ATOM 434 N GLU A 29 -9.849 5.311 -2.618 1.00 1.62 N ATOM 435 CA GLU A 29 -11.306 5.314 -2.534 1.00 1.75 C ATOM 436 C GLU A 29 -11.805 4.491 -1.346 1.00 1.18 C ATOM 437 O GLU A 29 -12.898 3.926 -1.377 1.00 1.16 O ATOM 438 CB GLU A 29 -11.914 4.839 -3.862 1.00 2.46 C ATOM 439 CG GLU A 29 -11.559 5.772 -5.031 1.00 3.33 C ATOM 440 CD GLU A 29 -12.203 5.322 -6.338 1.00 4.41 C ATOM 441 OE1 GLU A 29 -13.339 4.803 -6.269 1.00 4.99 O ATOM 442 OE2 GLU A 29 -11.556 5.525 -7.387 1.00 5.22 O ATOM 0 H GLU A 29 -9.464 4.401 -2.869 1.00 1.62 H new ATOM 0 HA GLU A 29 -11.639 6.337 -2.359 1.00 1.75 H new ATOM 0 HB2 GLU A 29 -11.559 3.832 -4.082 1.00 2.46 H new ATOM 0 HB3 GLU A 29 -12.998 4.780 -3.763 1.00 2.46 H new ATOM 0 HG2 GLU A 29 -11.884 6.786 -4.797 1.00 3.33 H new ATOM 0 HG3 GLU A 29 -10.476 5.804 -5.153 1.00 3.33 H new ATOM 449 N GLY A 30 -11.027 4.473 -0.263 1.00 1.21 N ATOM 450 CA GLY A 30 -11.479 3.942 1.014 1.00 0.75 C ATOM 451 C GLY A 30 -10.343 3.543 1.950 1.00 0.61 C ATOM 452 O GLY A 30 -10.480 2.553 2.674 1.00 0.81 O ATOM 0 H GLY A 30 -10.070 4.826 -0.251 1.00 1.21 H new ATOM 0 HA2 GLY A 30 -12.100 4.689 1.509 1.00 0.75 H new ATOM 0 HA3 GLY A 30 -12.111 3.072 0.833 1.00 0.75 H new ATOM 456 N ILE A 31 -9.234 4.294 1.965 1.00 0.46 N ATOM 457 CA ILE A 31 -8.176 4.042 2.941 1.00 0.35 C ATOM 458 C ILE A 31 -8.422 4.804 4.247 1.00 0.38 C ATOM 459 O ILE A 31 -9.128 5.810 4.275 1.00 0.58 O ATOM 460 CB ILE A 31 -6.834 4.376 2.291 1.00 0.43 C ATOM 461 CG1 ILE A 31 -6.460 3.290 1.263 1.00 0.63 C ATOM 462 CG2 ILE A 31 -5.682 4.633 3.284 1.00 0.71 C ATOM 463 CD1 ILE A 31 -6.100 1.954 1.893 1.00 1.67 C ATOM 0 H ILE A 31 -9.051 5.066 1.324 1.00 0.46 H new ATOM 0 HA ILE A 31 -8.168 2.990 3.226 1.00 0.35 H new ATOM 0 HB ILE A 31 -6.974 5.330 1.784 1.00 0.43 H new ATOM 0 HG12 ILE A 31 -7.296 3.146 0.579 1.00 0.63 H new ATOM 0 HG13 ILE A 31 -5.617 3.640 0.667 1.00 0.63 H new ATOM 0 HG21 ILE A 31 -4.770 4.862 2.732 1.00 0.71 H new ATOM 0 HG22 ILE A 31 -5.938 5.475 3.928 1.00 0.71 H new ATOM 0 HG23 ILE A 31 -5.523 3.744 3.895 1.00 0.71 H new ATOM 0 HD11 ILE A 31 -5.848 1.239 1.110 1.00 1.67 H new ATOM 0 HD12 ILE A 31 -5.244 2.083 2.556 1.00 1.67 H new ATOM 0 HD13 ILE A 31 -6.949 1.581 2.466 1.00 1.67 H new ATOM 475 N TYR A 32 -7.838 4.289 5.333 1.00 0.34 N ATOM 476 CA TYR A 32 -7.869 4.847 6.678 1.00 0.41 C ATOM 477 C TYR A 32 -6.480 5.256 7.175 1.00 0.40 C ATOM 478 O TYR A 32 -6.370 6.206 7.946 1.00 0.56 O ATOM 479 CB TYR A 32 -8.496 3.827 7.635 1.00 0.54 C ATOM 480 CG TYR A 32 -9.947 4.122 7.943 1.00 0.65 C ATOM 481 CD1 TYR A 32 -10.950 3.785 7.017 1.00 1.55 C ATOM 482 CD2 TYR A 32 -10.273 4.879 9.083 1.00 2.03 C ATOM 483 CE1 TYR A 32 -12.284 4.156 7.263 1.00 1.53 C ATOM 484 CE2 TYR A 32 -11.613 5.181 9.367 1.00 2.30 C ATOM 485 CZ TYR A 32 -12.619 4.826 8.452 1.00 1.24 C ATOM 486 OH TYR A 32 -13.915 5.143 8.727 1.00 1.60 O ATOM 0 H TYR A 32 -7.302 3.422 5.289 1.00 0.34 H new ATOM 0 HA TYR A 32 -8.472 5.754 6.648 1.00 0.41 H new ATOM 0 HB2 TYR A 32 -8.418 2.831 7.198 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -7.928 3.813 8.565 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -10.696 3.242 6.118 1.00 1.55 H new ATOM 0 HD2 TYR A 32 -9.490 5.228 9.740 1.00 2.03 H new ATOM 0 HE1 TYR A 32 -13.051 3.926 6.538 1.00 1.53 H new ATOM 0 HE2 TYR A 32 -11.871 5.685 10.287 1.00 2.30 H new ATOM 0 HH TYR A 32 -13.963 5.603 9.591 1.00 1.60 H new ATOM 496 N SER A 33 -5.421 4.526 6.813 1.00 0.35 N ATOM 497 CA SER A 33 -4.060 4.863 7.219 1.00 0.41 C ATOM 498 C SER A 33 -3.094 4.265 6.205 1.00 0.45 C ATOM 499 O SER A 33 -3.440 3.275 5.574 1.00 0.46 O ATOM 500 CB SER A 33 -3.777 4.325 8.627 1.00 0.51 C ATOM 501 OG SER A 33 -2.666 4.992 9.190 1.00 0.89 O ATOM 0 H SER A 33 -5.486 3.689 6.233 1.00 0.35 H new ATOM 0 HA SER A 33 -3.934 5.945 7.248 1.00 0.41 H new ATOM 0 HB2 SER A 33 -4.653 4.464 9.260 1.00 0.51 H new ATOM 0 HB3 SER A 33 -3.583 3.253 8.583 1.00 0.51 H new ATOM 0 HG SER A 33 -2.495 4.642 10.089 1.00 0.89 H new ATOM 507 N ILE A 34 -1.924 4.874 6.023 1.00 0.52 N ATOM 508 CA ILE A 34 -0.964 4.504 4.991 1.00 0.56 C ATOM 509 C ILE A 34 0.041 3.439 5.432 1.00 0.46 C ATOM 510 O ILE A 34 0.101 3.063 6.599 1.00 0.49 O ATOM 511 CB ILE A 34 -0.263 5.766 4.474 1.00 0.74 C ATOM 512 CG1 ILE A 34 0.418 6.660 5.534 1.00 2.04 C ATOM 513 CG2 ILE A 34 -1.300 6.619 3.758 1.00 0.97 C ATOM 514 CD1 ILE A 34 1.475 5.963 6.390 1.00 3.07 C ATOM 0 H ILE A 34 -1.613 5.654 6.602 1.00 0.52 H new ATOM 0 HA ILE A 34 -1.524 4.037 4.181 1.00 0.56 H new ATOM 0 HB ILE A 34 0.542 5.401 3.836 1.00 0.74 H new ATOM 0 HG12 ILE A 34 0.883 7.506 5.028 1.00 2.04 H new ATOM 0 HG13 ILE A 34 -0.350 7.065 6.192 1.00 2.04 H new ATOM 0 HG21 ILE A 34 -0.827 7.525 3.379 1.00 0.97 H new ATOM 0 HG22 ILE A 34 -1.723 6.056 2.926 1.00 0.97 H new ATOM 0 HG23 ILE A 34 -2.094 6.888 4.455 1.00 0.97 H new ATOM 0 HD11 ILE A 34 1.893 6.674 7.102 1.00 3.07 H new ATOM 0 HD12 ILE A 34 1.017 5.135 6.931 1.00 3.07 H new ATOM 0 HD13 ILE A 34 2.270 5.582 5.748 1.00 3.07 H new ATOM 526 N LEU A 35 0.836 2.955 4.472 1.00 0.51 N ATOM 527 CA LEU A 35 1.852 1.949 4.657 1.00 0.49 C ATOM 528 C LEU A 35 3.158 2.541 5.159 1.00 0.56 C ATOM 529 O LEU A 35 3.560 3.605 4.704 1.00 0.91 O ATOM 530 CB LEU A 35 2.048 1.204 3.332 1.00 0.59 C ATOM 531 CG LEU A 35 2.974 1.756 2.220 1.00 0.97 C ATOM 532 CD1 LEU A 35 2.620 3.165 1.738 1.00 2.04 C ATOM 533 CD2 LEU A 35 4.476 1.624 2.490 1.00 3.33 C ATOM 0 H LEU A 35 0.775 3.277 3.506 1.00 0.51 H new ATOM 0 HA LEU A 35 1.523 1.250 5.426 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.412 0.207 3.581 1.00 0.59 H new ATOM 0 HB3 LEU A 35 1.060 1.081 2.889 1.00 0.59 H new ATOM 0 HG LEU A 35 2.759 1.076 1.396 1.00 0.97 H new ATOM 0 HD11 LEU A 35 3.320 3.470 0.960 1.00 2.04 H new ATOM 0 HD12 LEU A 35 1.607 3.168 1.336 1.00 2.04 H new ATOM 0 HD13 LEU A 35 2.681 3.862 2.574 1.00 2.04 H new ATOM 0 HD21 LEU A 35 5.034 2.040 1.651 1.00 3.33 H new ATOM 0 HD22 LEU A 35 4.731 2.166 3.401 1.00 3.33 H new ATOM 0 HD23 LEU A 35 4.733 0.572 2.610 1.00 3.33 H new ATOM 545 N VAL A 36 3.822 1.872 6.104 1.00 0.42 N ATOM 546 CA VAL A 36 5.105 2.332 6.601 1.00 0.45 C ATOM 547 C VAL A 36 5.880 1.227 7.338 1.00 0.44 C ATOM 548 O VAL A 36 5.885 1.179 8.562 1.00 0.61 O ATOM 549 CB VAL A 36 4.888 3.612 7.427 1.00 0.57 C ATOM 550 CG1 VAL A 36 3.852 3.401 8.540 1.00 0.65 C ATOM 551 CG2 VAL A 36 6.222 4.180 7.914 1.00 0.64 C ATOM 0 H VAL A 36 3.486 1.011 6.536 1.00 0.42 H new ATOM 0 HA VAL A 36 5.754 2.586 5.763 1.00 0.45 H new ATOM 0 HB VAL A 36 4.456 4.375 6.780 1.00 0.57 H new ATOM 0 HG11 VAL A 36 3.727 4.327 9.101 1.00 0.65 H new ATOM 0 HG12 VAL A 36 2.898 3.112 8.099 1.00 0.65 H new ATOM 0 HG13 VAL A 36 4.195 2.614 9.212 1.00 0.65 H new ATOM 0 HG21 VAL A 36 6.042 5.084 8.495 1.00 0.64 H new ATOM 0 HG22 VAL A 36 6.726 3.442 8.538 1.00 0.64 H new ATOM 0 HG23 VAL A 36 6.850 4.419 7.056 1.00 0.64 H new ATOM 561 N ALA A 37 6.600 0.353 6.628 1.00 0.38 N ATOM 562 CA ALA A 37 7.570 -0.525 7.282 1.00 0.44 C ATOM 563 C ALA A 37 8.829 -0.636 6.424 1.00 0.46 C ATOM 564 O ALA A 37 9.366 -1.725 6.211 1.00 0.50 O ATOM 565 CB ALA A 37 6.921 -1.857 7.675 1.00 0.45 C ATOM 0 H ALA A 37 6.531 0.236 5.617 1.00 0.38 H new ATOM 0 HA ALA A 37 7.900 -0.096 8.228 1.00 0.44 H new ATOM 0 HB1 ALA A 37 7.661 -2.493 8.160 1.00 0.45 H new ATOM 0 HB2 ALA A 37 6.096 -1.671 8.363 1.00 0.45 H new ATOM 0 HB3 ALA A 37 6.543 -2.355 6.782 1.00 0.45 H new ATOM 571 N LEU A 38 9.332 0.526 5.989 1.00 0.52 N ATOM 572 CA LEU A 38 10.593 0.686 5.265 1.00 0.57 C ATOM 573 C LEU A 38 11.773 0.189 6.107 1.00 0.64 C ATOM 574 O LEU A 38 12.760 -0.294 5.563 1.00 0.69 O ATOM 575 CB LEU A 38 10.747 2.162 4.856 1.00 0.66 C ATOM 576 CG LEU A 38 11.761 2.398 3.718 1.00 0.67 C ATOM 577 CD1 LEU A 38 11.125 3.263 2.622 1.00 0.97 C ATOM 578 CD2 LEU A 38 13.032 3.106 4.204 1.00 1.23 C ATOM 0 H LEU A 38 8.851 1.413 6.139 1.00 0.52 H new ATOM 0 HA LEU A 38 10.584 0.077 4.361 1.00 0.57 H new ATOM 0 HB2 LEU A 38 9.775 2.546 4.547 1.00 0.66 H new ATOM 0 HB3 LEU A 38 11.055 2.739 5.728 1.00 0.66 H new ATOM 0 HG LEU A 38 12.035 1.415 3.335 1.00 0.67 H new ATOM 0 HD11 LEU A 38 11.847 3.425 1.822 1.00 0.97 H new ATOM 0 HD12 LEU A 38 10.247 2.756 2.221 1.00 0.97 H new ATOM 0 HD13 LEU A 38 10.828 4.224 3.043 1.00 0.97 H new ATOM 0 HD21 LEU A 38 13.713 3.248 3.365 1.00 1.23 H new ATOM 0 HD22 LEU A 38 12.769 4.076 4.627 1.00 1.23 H new ATOM 0 HD23 LEU A 38 13.518 2.498 4.967 1.00 1.23 H new ATOM 590 N MET A 39 11.643 0.271 7.438 1.00 0.73 N ATOM 591 CA MET A 39 12.589 -0.255 8.416 1.00 0.85 C ATOM 592 C MET A 39 13.041 -1.685 8.100 1.00 0.81 C ATOM 593 O MET A 39 14.178 -2.043 8.400 1.00 0.93 O ATOM 594 CB MET A 39 11.961 -0.144 9.815 1.00 0.95 C ATOM 595 CG MET A 39 12.815 -0.803 10.911 1.00 2.56 C ATOM 596 SD MET A 39 12.420 -0.329 12.616 1.00 3.29 S ATOM 597 CE MET A 39 13.151 1.323 12.674 1.00 4.41 C ATOM 0 H MET A 39 10.841 0.725 7.875 1.00 0.73 H new ATOM 0 HA MET A 39 13.500 0.343 8.376 1.00 0.85 H new ATOM 0 HB2 MET A 39 11.815 0.908 10.059 1.00 0.95 H new ATOM 0 HB3 MET A 39 10.975 -0.608 9.802 1.00 0.95 H new ATOM 0 HG2 MET A 39 12.713 -1.885 10.822 1.00 2.56 H new ATOM 0 HG3 MET A 39 13.862 -0.565 10.721 1.00 2.56 H new ATOM 0 HE1 MET A 39 13.057 1.727 13.682 1.00 4.41 H new ATOM 0 HE2 MET A 39 14.205 1.264 12.404 1.00 4.41 H new ATOM 0 HE3 MET A 39 12.632 1.975 11.972 1.00 4.41 H new ATOM 607 N ALA A 40 12.152 -2.505 7.531 1.00 0.70 N ATOM 608 CA ALA A 40 12.463 -3.876 7.146 1.00 0.74 C ATOM 609 C ALA A 40 12.181 -4.099 5.661 1.00 0.70 C ATOM 610 O ALA A 40 13.005 -4.668 4.952 1.00 0.86 O ATOM 611 CB ALA A 40 11.661 -4.829 8.027 1.00 0.81 C ATOM 0 H ALA A 40 11.192 -2.230 7.325 1.00 0.70 H new ATOM 0 HA ALA A 40 13.525 -4.071 7.296 1.00 0.74 H new ATOM 0 HB1 ALA A 40 11.886 -5.858 7.748 1.00 0.81 H new ATOM 0 HB2 ALA A 40 11.928 -4.670 9.072 1.00 0.81 H new ATOM 0 HB3 ALA A 40 10.596 -4.640 7.891 1.00 0.81 H new ATOM 617 N GLY A 41 11.008 -3.660 5.202 1.00 0.60 N ATOM 618 CA GLY A 41 10.629 -3.632 3.801 1.00 0.56 C ATOM 619 C GLY A 41 9.212 -4.164 3.606 1.00 0.56 C ATOM 620 O GLY A 41 9.001 -5.058 2.791 1.00 0.74 O ATOM 0 H GLY A 41 10.278 -3.305 5.819 1.00 0.60 H new ATOM 0 HA2 GLY A 41 10.693 -2.611 3.424 1.00 0.56 H new ATOM 0 HA3 GLY A 41 11.329 -4.231 3.219 1.00 0.56 H new ATOM 624 N LYS A 42 8.246 -3.639 4.365 1.00 0.46 N ATOM 625 CA LYS A 42 6.834 -3.997 4.268 1.00 0.48 C ATOM 626 C LYS A 42 5.960 -2.740 4.330 1.00 0.37 C ATOM 627 O LYS A 42 6.473 -1.622 4.425 1.00 0.34 O ATOM 628 CB LYS A 42 6.434 -5.027 5.336 1.00 0.69 C ATOM 629 CG LYS A 42 7.141 -6.384 5.178 1.00 0.74 C ATOM 630 CD LYS A 42 8.387 -6.597 6.050 1.00 1.76 C ATOM 631 CE LYS A 42 8.047 -6.328 7.520 1.00 1.89 C ATOM 632 NZ LYS A 42 8.931 -7.048 8.460 1.00 2.91 N ATOM 0 H LYS A 42 8.432 -2.936 5.081 1.00 0.46 H new ATOM 0 HA LYS A 42 6.670 -4.473 3.302 1.00 0.48 H new ATOM 0 HB2 LYS A 42 6.660 -4.622 6.322 1.00 0.69 H new ATOM 0 HB3 LYS A 42 5.356 -5.181 5.294 1.00 0.69 H new ATOM 0 HG2 LYS A 42 6.424 -7.174 5.404 1.00 0.74 H new ATOM 0 HG3 LYS A 42 7.428 -6.503 4.133 1.00 0.74 H new ATOM 0 HD2 LYS A 42 8.753 -7.617 5.933 1.00 1.76 H new ATOM 0 HD3 LYS A 42 9.187 -5.932 5.725 1.00 1.76 H new ATOM 0 HE2 LYS A 42 8.116 -5.257 7.713 1.00 1.89 H new ATOM 0 HE3 LYS A 42 7.013 -6.619 7.707 1.00 1.89 H new ATOM 0 HZ1 LYS A 42 8.755 -6.712 9.428 1.00 2.91 H new ATOM 0 HZ2 LYS A 42 8.737 -8.068 8.407 1.00 2.91 H new ATOM 0 HZ3 LYS A 42 9.924 -6.871 8.207 1.00 2.91 H new ATOM 646 N ALA A 43 4.642 -2.938 4.236 1.00 0.39 N ATOM 647 CA ALA A 43 3.639 -1.913 4.063 1.00 0.34 C ATOM 648 C ALA A 43 2.380 -2.272 4.864 1.00 0.33 C ATOM 649 O ALA A 43 1.819 -3.354 4.684 1.00 0.44 O ATOM 650 CB ALA A 43 3.353 -1.820 2.559 1.00 0.42 C ATOM 0 H ALA A 43 4.236 -3.873 4.282 1.00 0.39 H new ATOM 0 HA ALA A 43 3.981 -0.947 4.434 1.00 0.34 H new ATOM 0 HB1 ALA A 43 2.598 -1.055 2.379 1.00 0.42 H new ATOM 0 HB2 ALA A 43 4.269 -1.557 2.030 1.00 0.42 H new ATOM 0 HB3 ALA A 43 2.989 -2.782 2.198 1.00 0.42 H new ATOM 656 N GLU A 44 1.948 -1.363 5.747 1.00 0.31 N ATOM 657 CA GLU A 44 0.911 -1.595 6.749 1.00 0.41 C ATOM 658 C GLU A 44 -0.218 -0.569 6.631 1.00 0.45 C ATOM 659 O GLU A 44 -0.527 0.170 7.561 1.00 0.67 O ATOM 660 CB GLU A 44 1.549 -1.627 8.147 1.00 0.56 C ATOM 661 CG GLU A 44 2.500 -0.453 8.424 1.00 2.31 C ATOM 662 CD GLU A 44 2.868 -0.413 9.903 1.00 2.62 C ATOM 663 OE1 GLU A 44 3.294 -1.477 10.401 1.00 2.22 O ATOM 664 OE2 GLU A 44 2.686 0.663 10.510 1.00 3.87 O ATOM 0 H GLU A 44 2.326 -0.416 5.781 1.00 0.31 H new ATOM 0 HA GLU A 44 0.446 -2.565 6.573 1.00 0.41 H new ATOM 0 HB2 GLU A 44 0.758 -1.626 8.897 1.00 0.56 H new ATOM 0 HB3 GLU A 44 2.098 -2.562 8.264 1.00 0.56 H new ATOM 0 HG2 GLU A 44 3.401 -0.555 7.820 1.00 2.31 H new ATOM 0 HG3 GLU A 44 2.026 0.485 8.134 1.00 2.31 H new ATOM 671 N VAL A 45 -0.854 -0.552 5.464 1.00 0.55 N ATOM 672 CA VAL A 45 -1.932 0.369 5.144 1.00 0.56 C ATOM 673 C VAL A 45 -3.247 -0.204 5.702 1.00 0.47 C ATOM 674 O VAL A 45 -3.382 -1.414 5.850 1.00 0.68 O ATOM 675 CB VAL A 45 -1.907 0.670 3.626 1.00 0.81 C ATOM 676 CG1 VAL A 45 -1.460 -0.510 2.765 1.00 1.49 C ATOM 677 CG2 VAL A 45 -3.251 1.132 3.076 1.00 1.60 C ATOM 0 H VAL A 45 -0.628 -1.191 4.702 1.00 0.55 H new ATOM 0 HA VAL A 45 -1.816 1.342 5.621 1.00 0.56 H new ATOM 0 HB VAL A 45 -1.174 1.474 3.558 1.00 0.81 H new ATOM 0 HG11 VAL A 45 -1.469 -0.218 1.715 1.00 1.49 H new ATOM 0 HG12 VAL A 45 -0.451 -0.807 3.050 1.00 1.49 H new ATOM 0 HG13 VAL A 45 -2.141 -1.348 2.915 1.00 1.49 H new ATOM 0 HG21 VAL A 45 -3.160 1.325 2.007 1.00 1.60 H new ATOM 0 HG22 VAL A 45 -3.998 0.356 3.242 1.00 1.60 H new ATOM 0 HG23 VAL A 45 -3.558 2.046 3.585 1.00 1.60 H new ATOM 687 N ARG A 46 -4.206 0.648 6.071 1.00 0.37 N ATOM 688 CA ARG A 46 -5.477 0.258 6.675 1.00 0.35 C ATOM 689 C ARG A 46 -6.608 0.678 5.743 1.00 0.33 C ATOM 690 O ARG A 46 -6.569 1.792 5.225 1.00 0.41 O ATOM 691 CB ARG A 46 -5.600 0.890 8.071 1.00 0.46 C ATOM 692 CG ARG A 46 -6.764 0.266 8.850 1.00 0.63 C ATOM 693 CD ARG A 46 -6.694 0.558 10.355 1.00 1.11 C ATOM 694 NE ARG A 46 -7.061 1.941 10.703 1.00 1.73 N ATOM 695 CZ ARG A 46 -8.313 2.359 10.954 1.00 2.03 C ATOM 696 NH1 ARG A 46 -9.350 1.582 10.624 1.00 2.74 N ATOM 697 NH2 ARG A 46 -8.525 3.542 11.541 1.00 3.45 N ATOM 0 H ARG A 46 -4.115 1.657 5.953 1.00 0.37 H new ATOM 0 HA ARG A 46 -5.532 -0.823 6.807 1.00 0.35 H new ATOM 0 HB2 ARG A 46 -4.670 0.749 8.622 1.00 0.46 H new ATOM 0 HB3 ARG A 46 -5.754 1.965 7.976 1.00 0.46 H new ATOM 0 HG2 ARG A 46 -7.706 0.646 8.454 1.00 0.63 H new ATOM 0 HG3 ARG A 46 -6.764 -0.813 8.693 1.00 0.63 H new ATOM 0 HD2 ARG A 46 -7.357 -0.129 10.881 1.00 1.11 H new ATOM 0 HD3 ARG A 46 -5.682 0.359 10.709 1.00 1.11 H new ATOM 0 HE ARG A 46 -6.311 2.631 10.757 1.00 1.73 H new ATOM 0 HH11 ARG A 46 -9.189 0.676 10.184 1.00 2.74 H new ATOM 0 HH12 ARG A 46 -10.302 1.895 10.813 1.00 2.74 H new ATOM 0 HH21 ARG A 46 -7.734 4.132 11.800 1.00 3.45 H new ATOM 0 HH22 ARG A 46 -9.478 3.855 11.729 1.00 3.45 H new ATOM 711 N TYR A 47 -7.586 -0.207 5.514 1.00 0.44 N ATOM 712 CA TYR A 47 -8.519 -0.108 4.397 1.00 0.48 C ATOM 713 C TYR A 47 -9.929 -0.536 4.791 1.00 0.44 C ATOM 714 O TYR A 47 -10.150 -0.966 5.920 1.00 0.44 O ATOM 715 CB TYR A 47 -8.004 -0.969 3.239 1.00 0.53 C ATOM 716 CG TYR A 47 -8.358 -2.448 3.302 1.00 0.52 C ATOM 717 CD1 TYR A 47 -7.799 -3.290 4.282 1.00 2.00 C ATOM 718 CD2 TYR A 47 -9.201 -3.001 2.323 1.00 1.88 C ATOM 719 CE1 TYR A 47 -8.009 -4.680 4.230 1.00 1.97 C ATOM 720 CE2 TYR A 47 -9.309 -4.393 2.202 1.00 1.94 C ATOM 721 CZ TYR A 47 -8.754 -5.235 3.177 1.00 0.70 C ATOM 722 OH TYR A 47 -8.942 -6.579 3.079 1.00 0.91 O ATOM 0 H TYR A 47 -7.749 -1.019 6.109 1.00 0.44 H new ATOM 0 HA TYR A 47 -8.578 0.936 4.089 1.00 0.48 H new ATOM 0 HB2 TYR A 47 -8.395 -0.561 2.307 1.00 0.53 H new ATOM 0 HB3 TYR A 47 -6.919 -0.876 3.197 1.00 0.53 H new ATOM 0 HD1 TYR A 47 -7.205 -2.866 5.079 1.00 2.00 H new ATOM 0 HD2 TYR A 47 -9.764 -2.355 1.666 1.00 1.88 H new ATOM 0 HE1 TYR A 47 -7.598 -5.319 4.998 1.00 1.97 H new ATOM 0 HE2 TYR A 47 -9.822 -4.820 1.353 1.00 1.94 H new ATOM 0 HH TYR A 47 -9.895 -6.767 2.950 1.00 0.91 H new ATOM 732 N ASN A 48 -10.872 -0.445 3.846 1.00 0.58 N ATOM 733 CA ASN A 48 -12.280 -0.779 4.068 1.00 0.72 C ATOM 734 C ASN A 48 -12.821 -1.671 2.947 1.00 0.71 C ATOM 735 O ASN A 48 -13.250 -1.143 1.924 1.00 0.74 O ATOM 736 CB ASN A 48 -13.097 0.515 4.184 1.00 0.88 C ATOM 737 CG ASN A 48 -14.584 0.250 4.430 1.00 1.16 C ATOM 738 OD1 ASN A 48 -14.969 -0.629 5.205 1.00 1.82 O ATOM 739 ND2 ASN A 48 -15.448 1.029 3.787 1.00 1.66 N ATOM 0 H ASN A 48 -10.674 -0.133 2.895 1.00 0.58 H new ATOM 0 HA ASN A 48 -12.368 -1.341 4.998 1.00 0.72 H new ATOM 0 HB2 ASN A 48 -12.700 1.120 4.999 1.00 0.88 H new ATOM 0 HB3 ASN A 48 -12.981 1.097 3.270 1.00 0.88 H new ATOM 0 HD21 ASN A 48 -16.450 0.906 3.930 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -15.109 1.750 3.150 1.00 1.66 H new ATOM 746 N PRO A 49 -12.819 -3.007 3.094 1.00 0.72 N ATOM 747 CA PRO A 49 -13.237 -3.911 2.033 1.00 0.74 C ATOM 748 C PRO A 49 -14.750 -3.840 1.804 1.00 0.80 C ATOM 749 O PRO A 49 -15.504 -4.706 2.239 1.00 0.97 O ATOM 750 CB PRO A 49 -12.770 -5.297 2.473 1.00 0.82 C ATOM 751 CG PRO A 49 -12.785 -5.209 3.997 1.00 0.87 C ATOM 752 CD PRO A 49 -12.379 -3.758 4.262 1.00 0.78 C ATOM 0 HA PRO A 49 -12.799 -3.645 1.071 1.00 0.74 H new ATOM 0 HB2 PRO A 49 -13.436 -6.079 2.109 1.00 0.82 H new ATOM 0 HB3 PRO A 49 -11.774 -5.524 2.094 1.00 0.82 H new ATOM 0 HG2 PRO A 49 -13.771 -5.433 4.404 1.00 0.87 H new ATOM 0 HG3 PRO A 49 -12.086 -5.913 4.449 1.00 0.87 H new ATOM 0 HD2 PRO A 49 -12.848 -3.380 5.170 1.00 0.78 H new ATOM 0 HD3 PRO A 49 -11.301 -3.672 4.400 1.00 0.78 H new ATOM 760 N ALA A 50 -15.179 -2.796 1.097 1.00 0.74 N ATOM 761 CA ALA A 50 -16.556 -2.562 0.704 1.00 0.88 C ATOM 762 C ALA A 50 -16.557 -1.898 -0.673 1.00 0.87 C ATOM 763 O ALA A 50 -17.055 -2.470 -1.636 1.00 1.10 O ATOM 764 CB ALA A 50 -17.246 -1.704 1.770 1.00 1.16 C ATOM 0 H ALA A 50 -14.547 -2.064 0.772 1.00 0.74 H new ATOM 0 HA ALA A 50 -17.114 -3.495 0.630 1.00 0.88 H new ATOM 0 HB1 ALA A 50 -18.281 -1.525 1.479 1.00 1.16 H new ATOM 0 HB2 ALA A 50 -17.223 -2.225 2.727 1.00 1.16 H new ATOM 0 HB3 ALA A 50 -16.726 -0.751 1.863 1.00 1.16 H new ATOM 770 N VAL A 51 -15.963 -0.704 -0.761 1.00 0.85 N ATOM 771 CA VAL A 51 -15.859 0.066 -1.993 1.00 1.00 C ATOM 772 C VAL A 51 -14.488 -0.178 -2.628 1.00 0.85 C ATOM 773 O VAL A 51 -14.392 -0.611 -3.772 1.00 1.15 O ATOM 774 CB VAL A 51 -16.101 1.553 -1.674 1.00 1.22 C ATOM 775 CG1 VAL A 51 -15.896 2.436 -2.910 1.00 1.45 C ATOM 776 CG2 VAL A 51 -17.529 1.756 -1.148 1.00 1.59 C ATOM 0 H VAL A 51 -15.534 -0.241 0.041 1.00 0.85 H new ATOM 0 HA VAL A 51 -16.613 -0.248 -2.714 1.00 1.00 H new ATOM 0 HB VAL A 51 -15.377 1.845 -0.914 1.00 1.22 H new ATOM 0 HG11 VAL A 51 -16.075 3.478 -2.646 1.00 1.45 H new ATOM 0 HG12 VAL A 51 -14.874 2.324 -3.272 1.00 1.45 H new ATOM 0 HG13 VAL A 51 -16.593 2.134 -3.692 1.00 1.45 H new ATOM 0 HG21 VAL A 51 -17.688 2.811 -0.926 1.00 1.59 H new ATOM 0 HG22 VAL A 51 -18.245 1.432 -1.904 1.00 1.59 H new ATOM 0 HG23 VAL A 51 -17.669 1.169 -0.240 1.00 1.59 H new ATOM 786 N ILE A 52 -13.427 0.106 -1.870 1.00 0.61 N ATOM 787 CA ILE A 52 -12.060 0.171 -2.378 1.00 0.67 C ATOM 788 C ILE A 52 -11.581 -1.171 -2.938 1.00 0.79 C ATOM 789 O ILE A 52 -10.830 -1.173 -3.903 1.00 1.35 O ATOM 790 CB ILE A 52 -11.114 0.756 -1.311 1.00 0.64 C ATOM 791 CG1 ILE A 52 -9.649 0.704 -1.763 1.00 0.92 C ATOM 792 CG2 ILE A 52 -11.311 0.125 0.071 1.00 0.64 C ATOM 793 CD1 ILE A 52 -8.728 1.350 -0.730 1.00 1.36 C ATOM 0 H ILE A 52 -13.497 0.300 -0.871 1.00 0.61 H new ATOM 0 HA ILE A 52 -12.048 0.853 -3.228 1.00 0.67 H new ATOM 0 HB ILE A 52 -11.385 1.806 -1.203 1.00 0.64 H new ATOM 0 HG12 ILE A 52 -9.351 -0.333 -1.921 1.00 0.92 H new ATOM 0 HG13 ILE A 52 -9.543 1.216 -2.719 1.00 0.92 H new ATOM 0 HG21 ILE A 52 -10.617 0.577 0.780 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -12.334 0.295 0.406 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -11.122 -0.947 0.012 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -7.697 1.298 -1.079 1.00 1.36 H new ATOM 0 HD12 ILE A 52 -9.012 2.393 -0.592 1.00 1.36 H new ATOM 0 HD13 ILE A 52 -8.817 0.821 0.219 1.00 1.36 H new ATOM 805 N GLN A 53 -12.019 -2.289 -2.344 1.00 0.47 N ATOM 806 CA GLN A 53 -11.737 -3.660 -2.766 1.00 0.55 C ATOM 807 C GLN A 53 -10.262 -4.062 -2.535 1.00 0.51 C ATOM 808 O GLN A 53 -9.360 -3.489 -3.142 1.00 0.49 O ATOM 809 CB GLN A 53 -12.191 -3.900 -4.221 1.00 0.64 C ATOM 810 CG GLN A 53 -13.595 -4.513 -4.341 1.00 0.95 C ATOM 811 CD GLN A 53 -13.526 -6.026 -4.529 1.00 1.41 C ATOM 812 OE1 GLN A 53 -13.309 -6.507 -5.635 1.00 2.60 O ATOM 813 NE2 GLN A 53 -13.684 -6.800 -3.459 1.00 1.49 N ATOM 0 H GLN A 53 -12.610 -2.255 -1.513 1.00 0.47 H new ATOM 0 HA GLN A 53 -12.326 -4.319 -2.129 1.00 0.55 H new ATOM 0 HB2 GLN A 53 -12.172 -2.952 -4.759 1.00 0.64 H new ATOM 0 HB3 GLN A 53 -11.474 -4.559 -4.711 1.00 0.64 H new ATOM 0 HG2 GLN A 53 -14.173 -4.282 -3.446 1.00 0.95 H new ATOM 0 HG3 GLN A 53 -14.120 -4.063 -5.184 1.00 0.95 H new ATOM 0 HE21 GLN A 53 -13.864 -6.379 -2.547 1.00 1.49 H new ATOM 0 HE22 GLN A 53 -13.625 -7.814 -3.550 1.00 1.49 H new ATOM 822 N PRO A 54 -9.984 -5.084 -1.700 1.00 0.62 N ATOM 823 CA PRO A 54 -8.626 -5.554 -1.451 1.00 0.69 C ATOM 824 C PRO A 54 -7.783 -5.798 -2.715 1.00 0.70 C ATOM 825 O PRO A 54 -6.639 -5.346 -2.751 1.00 0.74 O ATOM 826 CB PRO A 54 -8.718 -6.790 -0.549 1.00 0.85 C ATOM 827 CG PRO A 54 -10.209 -7.093 -0.393 1.00 0.91 C ATOM 828 CD PRO A 54 -10.953 -5.891 -0.974 1.00 0.74 C ATOM 0 HA PRO A 54 -8.076 -4.757 -0.950 1.00 0.69 H new ATOM 0 HB2 PRO A 54 -8.193 -7.636 -0.993 1.00 0.85 H new ATOM 0 HB3 PRO A 54 -8.256 -6.601 0.420 1.00 0.85 H new ATOM 0 HG2 PRO A 54 -10.477 -8.008 -0.920 1.00 0.91 H new ATOM 0 HG3 PRO A 54 -10.468 -7.241 0.655 1.00 0.91 H new ATOM 0 HD2 PRO A 54 -11.752 -6.220 -1.638 1.00 0.74 H new ATOM 0 HD3 PRO A 54 -11.419 -5.308 -0.179 1.00 0.74 H new ATOM 836 N PRO A 55 -8.284 -6.485 -3.761 1.00 0.74 N ATOM 837 CA PRO A 55 -7.502 -6.662 -4.977 1.00 0.81 C ATOM 838 C PRO A 55 -7.208 -5.327 -5.675 1.00 0.74 C ATOM 839 O PRO A 55 -6.168 -5.179 -6.309 1.00 0.93 O ATOM 840 CB PRO A 55 -8.300 -7.638 -5.849 1.00 0.93 C ATOM 841 CG PRO A 55 -9.738 -7.485 -5.358 1.00 0.89 C ATOM 842 CD PRO A 55 -9.561 -7.183 -3.872 1.00 0.79 C ATOM 0 HA PRO A 55 -6.513 -7.067 -4.761 1.00 0.81 H new ATOM 0 HB2 PRO A 55 -8.212 -7.391 -6.907 1.00 0.93 H new ATOM 0 HB3 PRO A 55 -7.945 -8.662 -5.730 1.00 0.93 H new ATOM 0 HG2 PRO A 55 -10.258 -6.678 -5.875 1.00 0.89 H new ATOM 0 HG3 PRO A 55 -10.319 -8.393 -5.519 1.00 0.89 H new ATOM 0 HD2 PRO A 55 -10.378 -6.566 -3.498 1.00 0.79 H new ATOM 0 HD3 PRO A 55 -9.558 -8.100 -3.283 1.00 0.79 H new ATOM 850 N MET A 56 -8.096 -4.336 -5.550 1.00 0.59 N ATOM 851 CA MET A 56 -7.918 -3.056 -6.217 1.00 0.55 C ATOM 852 C MET A 56 -6.795 -2.243 -5.557 1.00 0.47 C ATOM 853 O MET A 56 -6.000 -1.630 -6.266 1.00 0.46 O ATOM 854 CB MET A 56 -9.260 -2.315 -6.263 1.00 0.61 C ATOM 855 CG MET A 56 -10.005 -2.511 -7.586 1.00 1.29 C ATOM 856 SD MET A 56 -9.470 -1.410 -8.920 1.00 2.38 S ATOM 857 CE MET A 56 -10.643 -1.886 -10.207 1.00 2.93 C ATOM 0 H MET A 56 -8.946 -4.403 -4.990 1.00 0.59 H new ATOM 0 HA MET A 56 -7.599 -3.215 -7.247 1.00 0.55 H new ATOM 0 HB2 MET A 56 -9.889 -2.662 -5.443 1.00 0.61 H new ATOM 0 HB3 MET A 56 -9.087 -1.251 -6.104 1.00 0.61 H new ATOM 0 HG2 MET A 56 -9.877 -3.544 -7.911 1.00 1.29 H new ATOM 0 HG3 MET A 56 -11.071 -2.361 -7.414 1.00 1.29 H new ATOM 0 HE1 MET A 56 -10.454 -1.300 -11.106 1.00 2.93 H new ATOM 0 HE2 MET A 56 -10.525 -2.946 -10.433 1.00 2.93 H new ATOM 0 HE3 MET A 56 -11.659 -1.700 -9.860 1.00 2.93 H new ATOM 867 N ILE A 57 -6.695 -2.262 -4.220 1.00 0.50 N ATOM 868 CA ILE A 57 -5.559 -1.700 -3.481 1.00 0.58 C ATOM 869 C ILE A 57 -4.223 -2.067 -4.143 1.00 0.49 C ATOM 870 O ILE A 57 -3.454 -1.179 -4.512 1.00 0.51 O ATOM 871 CB ILE A 57 -5.618 -2.138 -2.001 1.00 0.85 C ATOM 872 CG1 ILE A 57 -6.902 -1.580 -1.381 1.00 0.87 C ATOM 873 CG2 ILE A 57 -4.424 -1.633 -1.183 1.00 1.95 C ATOM 874 CD1 ILE A 57 -7.070 -1.897 0.101 1.00 1.13 C ATOM 0 H ILE A 57 -7.408 -2.672 -3.617 1.00 0.50 H new ATOM 0 HA ILE A 57 -5.628 -0.613 -3.509 1.00 0.58 H new ATOM 0 HB ILE A 57 -5.594 -3.228 -1.979 1.00 0.85 H new ATOM 0 HG12 ILE A 57 -6.916 -0.498 -1.513 1.00 0.87 H new ATOM 0 HG13 ILE A 57 -7.758 -1.979 -1.926 1.00 0.87 H new ATOM 0 HG21 ILE A 57 -4.520 -1.972 -0.151 1.00 1.95 H new ATOM 0 HG22 ILE A 57 -3.500 -2.024 -1.609 1.00 1.95 H new ATOM 0 HG23 ILE A 57 -4.402 -0.543 -1.206 1.00 1.95 H new ATOM 0 HD11 ILE A 57 -8.004 -1.466 0.462 1.00 1.13 H new ATOM 0 HD12 ILE A 57 -7.091 -2.978 0.242 1.00 1.13 H new ATOM 0 HD13 ILE A 57 -6.235 -1.474 0.660 1.00 1.13 H new ATOM 886 N ALA A 58 -3.937 -3.369 -4.298 1.00 0.50 N ATOM 887 CA ALA A 58 -2.790 -3.839 -5.068 1.00 0.56 C ATOM 888 C ALA A 58 -2.643 -3.060 -6.377 1.00 0.51 C ATOM 889 O ALA A 58 -1.642 -2.372 -6.554 1.00 0.55 O ATOM 890 CB ALA A 58 -2.884 -5.345 -5.327 1.00 0.72 C ATOM 0 H ALA A 58 -4.497 -4.119 -3.892 1.00 0.50 H new ATOM 0 HA ALA A 58 -1.894 -3.657 -4.475 1.00 0.56 H new ATOM 0 HB1 ALA A 58 -2.017 -5.670 -5.903 1.00 0.72 H new ATOM 0 HB2 ALA A 58 -2.908 -5.877 -4.376 1.00 0.72 H new ATOM 0 HB3 ALA A 58 -3.794 -5.562 -5.887 1.00 0.72 H new ATOM 896 N GLU A 59 -3.621 -3.135 -7.278 1.00 0.50 N ATOM 897 CA GLU A 59 -3.569 -2.433 -8.557 1.00 0.56 C ATOM 898 C GLU A 59 -3.207 -0.951 -8.401 1.00 0.55 C ATOM 899 O GLU A 59 -2.278 -0.480 -9.054 1.00 0.65 O ATOM 900 CB GLU A 59 -4.892 -2.610 -9.302 1.00 0.61 C ATOM 901 CG GLU A 59 -4.866 -3.793 -10.290 1.00 1.09 C ATOM 902 CD GLU A 59 -4.602 -5.155 -9.652 1.00 1.42 C ATOM 903 OE1 GLU A 59 -3.443 -5.386 -9.241 1.00 2.47 O ATOM 904 OE2 GLU A 59 -5.552 -5.965 -9.636 1.00 2.69 O ATOM 0 H GLU A 59 -4.470 -3.683 -7.141 1.00 0.50 H new ATOM 0 HA GLU A 59 -2.768 -2.878 -9.148 1.00 0.56 H new ATOM 0 HB2 GLU A 59 -5.693 -2.763 -8.579 1.00 0.61 H new ATOM 0 HB3 GLU A 59 -5.124 -1.694 -9.845 1.00 0.61 H new ATOM 0 HG2 GLU A 59 -5.821 -3.832 -10.814 1.00 1.09 H new ATOM 0 HG3 GLU A 59 -4.099 -3.604 -11.041 1.00 1.09 H new ATOM 911 N PHE A 60 -3.902 -0.218 -7.526 1.00 0.52 N ATOM 912 CA PHE A 60 -3.550 1.140 -7.150 1.00 0.57 C ATOM 913 C PHE A 60 -2.060 1.304 -6.869 1.00 0.59 C ATOM 914 O PHE A 60 -1.461 2.288 -7.279 1.00 0.76 O ATOM 915 CB PHE A 60 -4.352 1.521 -5.900 1.00 0.58 C ATOM 916 CG PHE A 60 -4.775 2.962 -5.916 1.00 0.72 C ATOM 917 CD1 PHE A 60 -3.950 3.968 -5.386 1.00 2.09 C ATOM 918 CD2 PHE A 60 -5.996 3.291 -6.519 1.00 1.80 C ATOM 919 CE1 PHE A 60 -4.382 5.303 -5.414 1.00 2.32 C ATOM 920 CE2 PHE A 60 -6.415 4.623 -6.565 1.00 1.81 C ATOM 921 CZ PHE A 60 -5.617 5.635 -6.002 1.00 1.25 C ATOM 0 H PHE A 60 -4.738 -0.564 -7.055 1.00 0.52 H new ATOM 0 HA PHE A 60 -3.789 1.795 -7.988 1.00 0.57 H new ATOM 0 HB2 PHE A 60 -5.235 0.886 -5.829 1.00 0.58 H new ATOM 0 HB3 PHE A 60 -3.750 1.331 -5.012 1.00 0.58 H new ATOM 0 HD1 PHE A 60 -2.990 3.716 -4.960 1.00 2.09 H new ATOM 0 HD2 PHE A 60 -6.613 2.515 -6.948 1.00 1.80 H new ATOM 0 HE1 PHE A 60 -3.765 6.078 -4.983 1.00 2.32 H new ATOM 0 HE2 PHE A 60 -7.354 4.876 -7.034 1.00 1.81 H new ATOM 0 HZ PHE A 60 -5.950 6.662 -6.021 1.00 1.25 H new ATOM 931 N ILE A 61 -1.449 0.360 -6.155 1.00 0.48 N ATOM 932 CA ILE A 61 -0.011 0.408 -5.896 1.00 0.47 C ATOM 933 C ILE A 61 0.765 0.079 -7.176 1.00 0.49 C ATOM 934 O ILE A 61 1.791 0.691 -7.477 1.00 0.52 O ATOM 935 CB ILE A 61 0.341 -0.497 -4.704 1.00 0.46 C ATOM 936 CG1 ILE A 61 -0.195 0.137 -3.407 1.00 0.53 C ATOM 937 CG2 ILE A 61 1.854 -0.715 -4.585 1.00 0.52 C ATOM 938 CD1 ILE A 61 -0.566 -0.924 -2.369 1.00 0.62 C ATOM 0 H ILE A 61 -1.925 -0.444 -5.747 1.00 0.48 H new ATOM 0 HA ILE A 61 0.288 1.416 -5.610 1.00 0.47 H new ATOM 0 HB ILE A 61 -0.123 -1.469 -4.868 1.00 0.46 H new ATOM 0 HG12 ILE A 61 0.558 0.806 -2.991 1.00 0.53 H new ATOM 0 HG13 ILE A 61 -1.070 0.745 -3.634 1.00 0.53 H new ATOM 0 HG21 ILE A 61 2.063 -1.360 -3.731 1.00 0.52 H new ATOM 0 HG22 ILE A 61 2.226 -1.186 -5.495 1.00 0.52 H new ATOM 0 HG23 ILE A 61 2.350 0.245 -4.444 1.00 0.52 H new ATOM 0 HD11 ILE A 61 -0.940 -0.437 -1.468 1.00 0.62 H new ATOM 0 HD12 ILE A 61 -1.338 -1.577 -2.776 1.00 0.62 H new ATOM 0 HD13 ILE A 61 0.316 -1.515 -2.122 1.00 0.62 H new ATOM 950 N ARG A 62 0.281 -0.900 -7.940 1.00 0.53 N ATOM 951 CA ARG A 62 0.914 -1.327 -9.177 1.00 0.61 C ATOM 952 C ARG A 62 0.888 -0.255 -10.267 1.00 0.66 C ATOM 953 O ARG A 62 1.530 -0.466 -11.291 1.00 0.74 O ATOM 954 CB ARG A 62 0.288 -2.616 -9.725 1.00 0.70 C ATOM 955 CG ARG A 62 0.393 -3.802 -8.764 1.00 0.70 C ATOM 956 CD ARG A 62 -0.369 -5.013 -9.328 1.00 1.17 C ATOM 957 NE ARG A 62 0.549 -6.059 -9.806 1.00 1.11 N ATOM 958 CZ ARG A 62 1.257 -6.856 -8.991 1.00 2.02 C ATOM 959 NH1 ARG A 62 1.114 -6.726 -7.669 1.00 3.56 N ATOM 960 NH2 ARG A 62 2.101 -7.762 -9.495 1.00 2.33 N ATOM 0 H ARG A 62 -0.567 -1.419 -7.712 1.00 0.53 H new ATOM 0 HA ARG A 62 1.955 -1.514 -8.912 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -0.763 -2.433 -9.950 1.00 0.70 H new ATOM 0 HB3 ARG A 62 0.775 -2.876 -10.665 1.00 0.70 H new ATOM 0 HG2 ARG A 62 1.440 -4.062 -8.609 1.00 0.70 H new ATOM 0 HG3 ARG A 62 -0.015 -3.528 -7.791 1.00 0.70 H new ATOM 0 HD2 ARG A 62 -1.020 -5.425 -8.557 1.00 1.17 H new ATOM 0 HD3 ARG A 62 -1.011 -4.690 -10.148 1.00 1.17 H new ATOM 0 HE ARG A 62 0.653 -6.185 -10.813 1.00 1.11 H new ATOM 0 HH11 ARG A 62 0.473 -6.028 -7.292 1.00 3.56 H new ATOM 0 HH12 ARG A 62 1.646 -7.325 -7.037 1.00 3.56 H new ATOM 0 HH21 ARG A 62 2.210 -7.851 -10.505 1.00 2.33 H new ATOM 0 HH22 ARG A 62 2.636 -8.364 -8.869 1.00 2.33 H new ATOM 974 N GLU A 63 0.192 0.873 -10.075 1.00 0.67 N ATOM 975 CA GLU A 63 0.277 2.037 -10.957 1.00 0.76 C ATOM 976 C GLU A 63 1.736 2.338 -11.353 1.00 0.66 C ATOM 977 O GLU A 63 2.027 2.656 -12.504 1.00 0.66 O ATOM 978 CB GLU A 63 -0.483 3.217 -10.310 1.00 0.86 C ATOM 979 CG GLU A 63 0.181 3.883 -9.088 1.00 2.23 C ATOM 980 CD GLU A 63 1.126 5.040 -9.398 1.00 3.86 C ATOM 981 OE1 GLU A 63 1.605 5.109 -10.548 1.00 4.59 O ATOM 982 OE2 GLU A 63 1.362 5.840 -8.466 1.00 5.16 O ATOM 0 H GLU A 63 -0.452 1.001 -9.294 1.00 0.67 H new ATOM 0 HA GLU A 63 -0.216 1.834 -11.908 1.00 0.76 H new ATOM 0 HB2 GLU A 63 -0.637 3.981 -11.072 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -1.469 2.863 -10.010 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -0.604 4.247 -8.424 1.00 2.23 H new ATOM 0 HG3 GLU A 63 0.736 3.122 -8.539 1.00 2.23 H new ATOM 989 N LEU A 64 2.662 2.097 -10.417 1.00 0.58 N ATOM 990 CA LEU A 64 4.090 2.343 -10.573 1.00 0.59 C ATOM 991 C LEU A 64 4.795 1.219 -11.341 1.00 0.64 C ATOM 992 O LEU A 64 5.873 1.428 -11.893 1.00 0.85 O ATOM 993 CB LEU A 64 4.721 2.370 -9.178 1.00 0.79 C ATOM 994 CG LEU A 64 4.088 3.359 -8.191 1.00 0.76 C ATOM 995 CD1 LEU A 64 4.464 2.940 -6.773 1.00 1.01 C ATOM 996 CD2 LEU A 64 4.552 4.796 -8.441 1.00 1.17 C ATOM 0 H LEU A 64 2.424 1.713 -9.503 1.00 0.58 H new ATOM 0 HA LEU A 64 4.204 3.279 -11.120 1.00 0.59 H new ATOM 0 HB2 LEU A 64 4.662 1.369 -8.751 1.00 0.79 H new ATOM 0 HB3 LEU A 64 5.779 2.611 -9.280 1.00 0.79 H new ATOM 0 HG LEU A 64 3.007 3.337 -8.329 1.00 0.76 H new ATOM 0 HD11 LEU A 64 4.021 3.634 -6.059 1.00 1.01 H new ATOM 0 HD12 LEU A 64 4.091 1.934 -6.580 1.00 1.01 H new ATOM 0 HD13 LEU A 64 5.549 2.952 -6.666 1.00 1.01 H new ATOM 0 HD21 LEU A 64 4.079 5.462 -7.719 1.00 1.17 H new ATOM 0 HD22 LEU A 64 5.635 4.853 -8.332 1.00 1.17 H new ATOM 0 HD23 LEU A 64 4.273 5.098 -9.450 1.00 1.17 H new ATOM 1008 N GLY A 65 4.236 0.005 -11.311 1.00 0.58 N ATOM 1009 CA GLY A 65 4.814 -1.189 -11.913 1.00 0.68 C ATOM 1010 C GLY A 65 5.725 -1.969 -10.957 1.00 0.69 C ATOM 1011 O GLY A 65 6.591 -2.710 -11.417 1.00 0.88 O ATOM 0 H GLY A 65 3.343 -0.174 -10.852 1.00 0.58 H new ATOM 0 HA2 GLY A 65 4.010 -1.842 -12.252 1.00 0.68 H new ATOM 0 HA3 GLY A 65 5.385 -0.902 -12.796 1.00 0.68 H new ATOM 1015 N PHE A 66 5.528 -1.843 -9.637 1.00 0.66 N ATOM 1016 CA PHE A 66 6.297 -2.596 -8.642 1.00 0.75 C ATOM 1017 C PHE A 66 5.613 -3.918 -8.275 1.00 0.71 C ATOM 1018 O PHE A 66 4.397 -4.077 -8.405 1.00 0.70 O ATOM 1019 CB PHE A 66 6.555 -1.749 -7.387 1.00 0.79 C ATOM 1020 CG PHE A 66 7.718 -0.784 -7.521 1.00 1.01 C ATOM 1021 CD1 PHE A 66 9.040 -1.269 -7.518 1.00 2.45 C ATOM 1022 CD2 PHE A 66 7.488 0.597 -7.642 1.00 2.02 C ATOM 1023 CE1 PHE A 66 10.119 -0.380 -7.666 1.00 2.81 C ATOM 1024 CE2 PHE A 66 8.563 1.483 -7.824 1.00 2.36 C ATOM 1025 CZ PHE A 66 9.882 0.996 -7.829 1.00 2.10 C ATOM 0 H PHE A 66 4.832 -1.217 -9.232 1.00 0.66 H new ATOM 0 HA PHE A 66 7.259 -2.839 -9.094 1.00 0.75 H new ATOM 0 HB2 PHE A 66 5.653 -1.184 -7.151 1.00 0.79 H new ATOM 0 HB3 PHE A 66 6.744 -2.415 -6.545 1.00 0.79 H new ATOM 0 HD1 PHE A 66 9.225 -2.327 -7.402 1.00 2.45 H new ATOM 0 HD2 PHE A 66 6.479 0.979 -7.595 1.00 2.02 H new ATOM 0 HE1 PHE A 66 11.132 -0.755 -7.654 1.00 2.81 H new ATOM 0 HE2 PHE A 66 8.376 2.538 -7.960 1.00 2.36 H new ATOM 0 HZ PHE A 66 10.710 1.677 -7.958 1.00 2.10 H new ATOM 1035 N GLY A 67 6.404 -4.868 -7.765 1.00 0.79 N ATOM 1036 CA GLY A 67 5.943 -6.210 -7.460 1.00 0.87 C ATOM 1037 C GLY A 67 5.273 -6.229 -6.093 1.00 0.84 C ATOM 1038 O GLY A 67 5.835 -6.742 -5.128 1.00 0.93 O ATOM 0 H GLY A 67 7.390 -4.717 -7.553 1.00 0.79 H new ATOM 0 HA2 GLY A 67 5.241 -6.545 -8.224 1.00 0.87 H new ATOM 0 HA3 GLY A 67 6.783 -6.904 -7.473 1.00 0.87 H new ATOM 1042 N ALA A 68 4.062 -5.676 -6.018 1.00 0.77 N ATOM 1043 CA ALA A 68 3.317 -5.634 -4.768 1.00 0.66 C ATOM 1044 C ALA A 68 2.643 -6.983 -4.522 1.00 0.61 C ATOM 1045 O ALA A 68 2.296 -7.686 -5.474 1.00 0.75 O ATOM 1046 CB ALA A 68 2.297 -4.494 -4.809 1.00 0.65 C ATOM 0 H ALA A 68 3.580 -5.252 -6.810 1.00 0.77 H new ATOM 0 HA ALA A 68 3.999 -5.443 -3.939 1.00 0.66 H new ATOM 0 HB1 ALA A 68 1.743 -4.468 -3.871 1.00 0.65 H new ATOM 0 HB2 ALA A 68 2.816 -3.546 -4.950 1.00 0.65 H new ATOM 0 HB3 ALA A 68 1.604 -4.655 -5.635 1.00 0.65 H new ATOM 1052 N THR A 69 2.474 -7.342 -3.248 1.00 0.47 N ATOM 1053 CA THR A 69 1.943 -8.622 -2.810 1.00 0.42 C ATOM 1054 C THR A 69 1.128 -8.349 -1.550 1.00 0.42 C ATOM 1055 O THR A 69 1.687 -8.169 -0.467 1.00 0.59 O ATOM 1056 CB THR A 69 3.044 -9.684 -2.652 1.00 0.46 C ATOM 1057 OG1 THR A 69 2.603 -10.757 -1.846 1.00 1.24 O ATOM 1058 CG2 THR A 69 4.327 -9.117 -2.066 1.00 1.01 C ATOM 0 H THR A 69 2.713 -6.725 -2.472 1.00 0.47 H new ATOM 0 HA THR A 69 1.288 -9.064 -3.561 1.00 0.42 H new ATOM 0 HB THR A 69 3.261 -10.042 -3.658 1.00 0.46 H new ATOM 0 HG1 THR A 69 3.320 -11.419 -1.762 1.00 1.24 H new ATOM 0 HG21 THR A 69 5.068 -9.911 -1.977 1.00 1.01 H new ATOM 0 HG22 THR A 69 4.711 -8.334 -2.720 1.00 1.01 H new ATOM 0 HG23 THR A 69 4.123 -8.699 -1.080 1.00 1.01 H new ATOM 1066 N VAL A 70 -0.187 -8.245 -1.733 1.00 0.44 N ATOM 1067 CA VAL A 70 -1.157 -7.923 -0.702 1.00 0.42 C ATOM 1068 C VAL A 70 -1.552 -9.209 0.027 1.00 0.46 C ATOM 1069 O VAL A 70 -1.934 -10.184 -0.617 1.00 0.56 O ATOM 1070 CB VAL A 70 -2.337 -7.182 -1.363 1.00 0.47 C ATOM 1071 CG1 VAL A 70 -3.132 -8.035 -2.367 1.00 0.52 C ATOM 1072 CG2 VAL A 70 -3.338 -6.637 -0.334 1.00 0.52 C ATOM 0 H VAL A 70 -0.619 -8.390 -2.646 1.00 0.44 H new ATOM 0 HA VAL A 70 -0.750 -7.256 0.058 1.00 0.42 H new ATOM 0 HB VAL A 70 -1.853 -6.366 -1.899 1.00 0.47 H new ATOM 0 HG11 VAL A 70 -3.944 -7.441 -2.787 1.00 0.52 H new ATOM 0 HG12 VAL A 70 -2.471 -8.364 -3.169 1.00 0.52 H new ATOM 0 HG13 VAL A 70 -3.545 -8.905 -1.858 1.00 0.52 H new ATOM 0 HG21 VAL A 70 -4.149 -6.124 -0.851 1.00 0.52 H new ATOM 0 HG22 VAL A 70 -3.745 -7.462 0.250 1.00 0.52 H new ATOM 0 HG23 VAL A 70 -2.832 -5.937 0.331 1.00 0.52 H new ATOM 1082 N ILE A 71 -1.421 -9.227 1.354 1.00 0.50 N ATOM 1083 CA ILE A 71 -1.793 -10.347 2.204 1.00 0.62 C ATOM 1084 C ILE A 71 -2.526 -9.819 3.447 1.00 0.77 C ATOM 1085 O ILE A 71 -2.826 -8.626 3.553 1.00 0.58 O ATOM 1086 CB ILE A 71 -0.577 -11.240 2.510 1.00 0.76 C ATOM 1087 CG1 ILE A 71 0.438 -10.587 3.456 1.00 0.90 C ATOM 1088 CG2 ILE A 71 0.125 -11.699 1.222 1.00 1.58 C ATOM 1089 CD1 ILE A 71 1.214 -11.672 4.190 1.00 1.27 C ATOM 0 H ILE A 71 -1.042 -8.438 1.877 1.00 0.50 H new ATOM 0 HA ILE A 71 -2.492 -11.003 1.684 1.00 0.62 H new ATOM 0 HB ILE A 71 -0.981 -12.110 3.027 1.00 0.76 H new ATOM 0 HG12 ILE A 71 1.122 -9.953 2.892 1.00 0.90 H new ATOM 0 HG13 ILE A 71 -0.076 -9.944 4.171 1.00 0.90 H new ATOM 0 HG21 ILE A 71 0.978 -12.327 1.477 1.00 1.58 H new ATOM 0 HG22 ILE A 71 -0.574 -12.268 0.609 1.00 1.58 H new ATOM 0 HG23 ILE A 71 0.469 -10.828 0.665 1.00 1.58 H new ATOM 0 HD11 ILE A 71 1.936 -11.210 4.863 1.00 1.27 H new ATOM 0 HD12 ILE A 71 0.523 -12.287 4.766 1.00 1.27 H new ATOM 0 HD13 ILE A 71 1.739 -12.296 3.467 1.00 1.27 H new ATOM 1101 N GLU A 72 -2.807 -10.717 4.392 1.00 1.47 N ATOM 1102 CA GLU A 72 -3.462 -10.433 5.652 1.00 1.83 C ATOM 1103 C GLU A 72 -2.986 -11.482 6.659 1.00 2.34 C ATOM 1104 O GLU A 72 -2.218 -12.376 6.301 1.00 3.10 O ATOM 1105 CB GLU A 72 -4.986 -10.427 5.458 1.00 2.36 C ATOM 1106 CG GLU A 72 -5.524 -11.736 4.863 1.00 3.12 C ATOM 1107 CD GLU A 72 -7.030 -11.665 4.640 1.00 4.17 C ATOM 1108 OE1 GLU A 72 -7.476 -10.627 4.102 1.00 4.71 O ATOM 1109 OE2 GLU A 72 -7.703 -12.651 5.009 1.00 5.09 O ATOM 0 H GLU A 72 -2.570 -11.704 4.287 1.00 1.47 H new ATOM 0 HA GLU A 72 -3.205 -9.445 6.033 1.00 1.83 H new ATOM 0 HB2 GLU A 72 -5.468 -10.247 6.419 1.00 2.36 H new ATOM 0 HB3 GLU A 72 -5.260 -9.599 4.804 1.00 2.36 H new ATOM 0 HG2 GLU A 72 -5.023 -11.941 3.917 1.00 3.12 H new ATOM 0 HG3 GLU A 72 -5.292 -12.565 5.532 1.00 3.12 H new ATOM 1116 N ASN A 73 -3.420 -11.361 7.914 1.00 2.76 N ATOM 1117 CA ASN A 73 -3.015 -12.247 9.003 1.00 3.84 C ATOM 1118 C ASN A 73 -4.059 -12.212 10.113 1.00 4.07 C ATOM 1119 O ASN A 73 -4.457 -13.257 10.619 1.00 4.96 O ATOM 1120 CB ASN A 73 -1.650 -11.832 9.577 1.00 4.93 C ATOM 1121 CG ASN A 73 -0.466 -12.389 8.791 1.00 5.30 C ATOM 1122 OD1 ASN A 73 0.291 -11.640 8.180 1.00 5.79 O ATOM 1123 ND2 ASN A 73 -0.267 -13.704 8.834 1.00 5.69 N ATOM 0 H ASN A 73 -4.073 -10.633 8.206 1.00 2.76 H new ATOM 0 HA ASN A 73 -2.931 -13.257 8.603 1.00 3.84 H new ATOM 0 HB2 ASN A 73 -1.587 -10.744 9.592 1.00 4.93 H new ATOM 0 HB3 ASN A 73 -1.581 -12.170 10.611 1.00 4.93 H new ATOM 0 HD21 ASN A 73 0.532 -14.115 8.351 1.00 5.69 H new ATOM 0 HD22 ASN A 73 -0.913 -14.301 9.350 1.00 5.69 H new ATOM 1130 N ILE A 74 -4.472 -11.004 10.503 1.00 3.80 N ATOM 1131 CA ILE A 74 -5.497 -10.765 11.508 1.00 4.09 C ATOM 1132 C ILE A 74 -6.556 -9.851 10.901 1.00 3.54 C ATOM 1133 O ILE A 74 -6.385 -9.362 9.784 1.00 3.40 O ATOM 1134 CB ILE A 74 -4.839 -10.179 12.772 1.00 4.82 C ATOM 1135 CG1 ILE A 74 -5.676 -10.364 14.050 1.00 4.87 C ATOM 1136 CG2 ILE A 74 -4.422 -8.711 12.584 1.00 6.00 C ATOM 1137 CD1 ILE A 74 -4.771 -10.474 15.282 1.00 5.65 C ATOM 0 H ILE A 74 -4.088 -10.143 10.114 1.00 3.80 H new ATOM 0 HA ILE A 74 -5.991 -11.688 11.812 1.00 4.09 H new ATOM 0 HB ILE A 74 -3.933 -10.767 12.917 1.00 4.82 H new ATOM 0 HG12 ILE A 74 -6.358 -9.522 14.168 1.00 4.87 H new ATOM 0 HG13 ILE A 74 -6.289 -11.261 13.962 1.00 4.87 H new ATOM 0 HG21 ILE A 74 -3.963 -8.343 13.502 1.00 6.00 H new ATOM 0 HG22 ILE A 74 -3.706 -8.638 11.766 1.00 6.00 H new ATOM 0 HG23 ILE A 74 -5.301 -8.110 12.351 1.00 6.00 H new ATOM 0 HD11 ILE A 74 -5.384 -10.604 16.174 1.00 5.65 H new ATOM 0 HD12 ILE A 74 -4.107 -11.331 15.170 1.00 5.65 H new ATOM 0 HD13 ILE A 74 -4.177 -9.565 15.380 1.00 5.65 H new ATOM 1149 N GLU A 75 -7.628 -9.621 11.656 1.00 3.74 N ATOM 1150 CA GLU A 75 -8.791 -8.845 11.245 1.00 3.33 C ATOM 1151 C GLU A 75 -9.130 -7.824 12.330 1.00 3.69 C ATOM 1152 O GLU A 75 -8.592 -7.879 13.435 1.00 4.76 O ATOM 1153 CB GLU A 75 -9.972 -9.801 10.973 1.00 3.32 C ATOM 1154 CG GLU A 75 -10.480 -9.720 9.525 1.00 3.14 C ATOM 1155 CD GLU A 75 -11.295 -8.461 9.251 1.00 3.72 C ATOM 1156 OE1 GLU A 75 -10.749 -7.357 9.480 1.00 4.80 O ATOM 1157 OE2 GLU A 75 -12.462 -8.605 8.838 1.00 3.94 O ATOM 0 H GLU A 75 -7.711 -9.984 12.605 1.00 3.74 H new ATOM 0 HA GLU A 75 -8.578 -8.300 10.325 1.00 3.33 H new ATOM 0 HB2 GLU A 75 -9.663 -10.824 11.188 1.00 3.32 H new ATOM 0 HB3 GLU A 75 -10.790 -9.565 11.654 1.00 3.32 H new ATOM 0 HG2 GLU A 75 -9.629 -9.751 8.845 1.00 3.14 H new ATOM 0 HG3 GLU A 75 -11.092 -10.596 9.310 1.00 3.14 H new ATOM 1164 N GLY A 76 -10.030 -6.894 12.021 1.00 3.37 N ATOM 1165 CA GLY A 76 -10.569 -5.934 12.970 1.00 4.08 C ATOM 1166 C GLY A 76 -11.724 -6.548 13.761 1.00 4.79 C ATOM 1167 O GLY A 76 -12.813 -5.977 13.795 1.00 5.74 O ATOM 0 H GLY A 76 -10.411 -6.788 11.081 1.00 3.37 H new ATOM 0 HA2 GLY A 76 -9.784 -5.611 13.654 1.00 4.08 H new ATOM 0 HA3 GLY A 76 -10.915 -5.046 12.440 1.00 4.08 H new ATOM 1171 N ARG A 77 -11.494 -7.703 14.393 1.00 5.03 N ATOM 1172 CA ARG A 77 -12.453 -8.438 15.203 1.00 6.14 C ATOM 1173 C ARG A 77 -11.645 -9.553 15.887 1.00 7.15 C ATOM 1174 O ARG A 77 -12.259 -10.521 16.395 1.00 8.06 O ATOM 1175 CB ARG A 77 -13.594 -8.992 14.324 1.00 6.48 C ATOM 1176 CG ARG A 77 -14.895 -9.238 15.114 1.00 7.50 C ATOM 1177 CD ARG A 77 -15.439 -10.651 14.880 1.00 7.97 C ATOM 1178 NE ARG A 77 -14.474 -11.608 15.427 1.00 8.40 N ATOM 1179 CZ ARG A 77 -14.498 -12.940 15.380 1.00 9.20 C ATOM 1180 NH1 ARG A 77 -15.528 -13.572 14.806 1.00 9.73 N ATOM 1181 NH2 ARG A 77 -13.476 -13.611 15.917 1.00 9.85 N ATOM 1182 OXT ARG A 77 -10.401 -9.433 15.845 1.00 7.60 O ATOM 0 H ARG A 77 -10.587 -8.168 14.347 1.00 5.03 H new ATOM 0 HA ARG A 77 -12.939 -7.806 15.947 1.00 6.14 H new ATOM 0 HB2 ARG A 77 -13.794 -8.291 13.513 1.00 6.48 H new ATOM 0 HB3 ARG A 77 -13.271 -9.927 13.865 1.00 6.48 H new ATOM 0 HG2 ARG A 77 -14.709 -9.091 16.178 1.00 7.50 H new ATOM 0 HG3 ARG A 77 -15.645 -8.505 14.818 1.00 7.50 H new ATOM 0 HD2 ARG A 77 -16.409 -10.770 15.363 1.00 7.97 H new ATOM 0 HD3 ARG A 77 -15.590 -10.829 13.815 1.00 7.97 H new ATOM 0 HE ARG A 77 -13.674 -11.199 15.910 1.00 8.40 H new ATOM 0 HH11 ARG A 77 -16.296 -13.035 14.404 1.00 9.73 H new ATOM 0 HH12 ARG A 77 -15.545 -14.591 14.771 1.00 9.73 H new ATOM 0 HH21 ARG A 77 -12.704 -13.104 16.349 1.00 9.85 H new ATOM 0 HH22 ARG A 77 -13.468 -14.631 15.895 1.00 9.85 H new TER 1196 ARG A 77