USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 990 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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-3.4!) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 MET CE :methyl -160:sc= -0.112 (180deg=-0.638) USER MOD Set 3.1: A 3 TYR OH : rot 91:sc= 1.11 USER MOD Set 3.2: A 88 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl 148:sc= -0.663 (180deg=-1.25) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.05) USER MOD Single : A 11 SER OG : rot 31:sc= -0.109 USER MOD Single : A 13 HIS : no HE2:sc= 0.439 K(o=0.44,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= -0.0244 (180deg=-0.197) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 19 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.9!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc=-0.00683 X(o=-0.0068,f=-0.34) USER MOD Single : A 27 MET CE :methyl 145:sc= -0.195 (180deg=-0.847) USER MOD Single : A 33 SER OG : rot 168:sc= -0.384 USER MOD Single : A 42 ASN : amide:sc=-0.00234 K(o=-0.0023,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -107:sc= 0.0239 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -1.57! USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.671) USER MOD Single : A 71 TYR OH : rot -148:sc= 0.595 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= 1.24 (180deg=-0.241!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -145:sc= -1.14 (180deg=-1.88!) USER MOD Single : A 85 LYS NZ :NH3+ -143:sc= 0.828 (180deg=-0.586) USER MOD Single : A 90 THR OG1 : rot 72:sc= 0.733 USER MOD Single : A 92 ASN : amide:sc= 0.585 K(o=0.59,f=0) USER MOD Single : A 99 ASN : amide:sc= 0.359 X(o=0.36,f=-0.0096) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 164:sc= -0.0378 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.165 -18.920 3.149 1.00 0.00 N ATOM 2 CA MET A 1 -3.381 -18.119 3.047 1.00 52.33 C ATOM 3 C MET A 1 -2.962 -16.726 2.547 1.00 54.05 C ATOM 4 O MET A 1 -2.342 -15.941 3.294 1.00 32.22 O ATOM 5 CB MET A 1 -4.026 -18.013 4.448 1.00 4.24 C ATOM 6 CG MET A 1 -5.571 -17.915 4.540 1.00 23.13 C ATOM 7 SD MET A 1 -6.350 -16.500 3.724 1.00 44.25 S ATOM 8 CE MET A 1 -6.547 -17.100 2.041 1.00 74.40 C ATOM 0 H1 MET A 1 -2.405 -19.874 3.486 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.713 -18.986 2.215 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.509 -18.471 3.820 1.00 0.00 H new ATOM 0 HA MET A 1 -4.103 -18.566 2.364 1.00 52.33 H new ATOM 0 HB2 MET A 1 -3.713 -18.883 5.025 1.00 4.24 H new ATOM 0 HB3 MET A 1 -3.607 -17.136 4.941 1.00 4.24 H new ATOM 0 HG2 MET A 1 -5.995 -18.826 4.118 1.00 23.13 H new ATOM 0 HG3 MET A 1 -5.848 -17.894 5.594 1.00 23.13 H new ATOM 0 HE1 MET A 1 -7.441 -16.660 1.600 1.00 74.40 H new ATOM 0 HE2 MET A 1 -5.675 -16.819 1.450 1.00 74.40 H new ATOM 0 HE3 MET A 1 -6.644 -18.186 2.051 1.00 74.40 H new ATOM 17 N LYS A 2 -3.232 -16.448 1.280 1.00 41.22 N ATOM 18 CA LYS A 2 -2.863 -15.187 0.670 1.00 31.34 C ATOM 19 C LYS A 2 -3.928 -14.132 0.852 1.00 63.25 C ATOM 20 O LYS A 2 -5.099 -14.429 1.068 1.00 53.21 O ATOM 21 CB LYS A 2 -2.533 -15.337 -0.822 1.00 45.20 C ATOM 22 CG LYS A 2 -1.249 -16.087 -1.122 1.00 13.33 C ATOM 23 CD LYS A 2 -0.973 -16.108 -2.617 1.00 44.33 C ATOM 24 CE LYS A 2 0.355 -16.771 -2.930 1.00 61.44 C ATOM 25 NZ LYS A 2 0.630 -16.803 -4.379 1.00 20.50 N ATOM 0 H LYS A 2 -3.712 -17.091 0.650 1.00 41.22 H new ATOM 0 HA LYS A 2 -1.962 -14.861 1.190 1.00 31.34 H new ATOM 0 HB2 LYS A 2 -3.360 -15.852 -1.312 1.00 45.20 H new ATOM 0 HB3 LYS A 2 -2.468 -14.344 -1.266 1.00 45.20 H new ATOM 0 HG2 LYS A 2 -0.416 -15.615 -0.600 1.00 13.33 H new ATOM 0 HG3 LYS A 2 -1.323 -17.108 -0.747 1.00 13.33 H new ATOM 0 HD2 LYS A 2 -1.775 -16.640 -3.128 1.00 44.33 H new ATOM 0 HD3 LYS A 2 -0.971 -15.088 -3.002 1.00 44.33 H new ATOM 0 HE2 LYS A 2 1.156 -16.235 -2.421 1.00 61.44 H new ATOM 0 HE3 LYS A 2 0.353 -17.788 -2.539 1.00 61.44 H new ATOM 0 HZ1 LYS A 2 1.250 -17.609 -4.597 1.00 20.50 H new ATOM 0 HZ2 LYS A 2 -0.265 -16.903 -4.900 1.00 20.50 H new ATOM 0 HZ3 LYS A 2 1.099 -15.919 -4.663 1.00 20.50 H new ATOM 39 N TYR A 3 -3.501 -12.909 0.800 1.00 13.15 N ATOM 40 CA TYR A 3 -4.345 -11.759 0.918 1.00 74.24 C ATOM 41 C TYR A 3 -4.225 -10.846 -0.284 1.00 35.32 C ATOM 42 O TYR A 3 -3.185 -10.801 -0.973 1.00 1.24 O ATOM 43 CB TYR A 3 -4.028 -10.996 2.213 1.00 71.31 C ATOM 44 CG TYR A 3 -4.653 -11.633 3.421 1.00 44.42 C ATOM 45 CD1 TYR A 3 -4.384 -12.944 3.756 1.00 55.42 C ATOM 46 CD2 TYR A 3 -5.550 -10.939 4.193 1.00 45.03 C ATOM 47 CE1 TYR A 3 -4.982 -13.545 4.812 1.00 71.52 C ATOM 48 CE2 TYR A 3 -6.161 -11.535 5.252 1.00 55.11 C ATOM 49 CZ TYR A 3 -5.877 -12.838 5.560 1.00 24.55 C ATOM 50 OH TYR A 3 -6.508 -13.432 6.616 1.00 31.31 O ATOM 0 H TYR A 3 -2.517 -12.674 0.669 1.00 13.15 H new ATOM 0 HA TYR A 3 -5.377 -12.108 0.957 1.00 74.24 H new ATOM 0 HB2 TYR A 3 -2.947 -10.949 2.349 1.00 71.31 H new ATOM 0 HB3 TYR A 3 -4.383 -9.969 2.123 1.00 71.31 H new ATOM 0 HD1 TYR A 3 -3.679 -13.505 3.161 1.00 55.42 H new ATOM 0 HD2 TYR A 3 -5.773 -9.909 3.957 1.00 45.03 H new ATOM 0 HE1 TYR A 3 -4.753 -14.571 5.059 1.00 71.52 H new ATOM 0 HE2 TYR A 3 -6.870 -10.981 5.849 1.00 55.11 H new ATOM 0 HH TYR A 3 -5.981 -13.295 7.431 1.00 31.31 H new ATOM 60 N ASP A 4 -5.295 -10.163 -0.518 1.00 15.51 N ATOM 61 CA ASP A 4 -5.468 -9.189 -1.556 1.00 61.22 C ATOM 62 C ASP A 4 -5.376 -7.837 -0.872 1.00 52.44 C ATOM 63 O ASP A 4 -6.288 -7.422 -0.165 1.00 61.45 O ATOM 64 CB ASP A 4 -6.870 -9.438 -2.199 1.00 2.12 C ATOM 65 CG ASP A 4 -7.309 -8.486 -3.305 1.00 70.13 C ATOM 66 OD1 ASP A 4 -6.669 -8.452 -4.353 1.00 52.34 O ATOM 67 OD2 ASP A 4 -8.399 -7.854 -3.165 1.00 21.42 O ATOM 0 H ASP A 4 -6.135 -10.275 0.049 1.00 15.51 H new ATOM 0 HA ASP A 4 -4.723 -9.243 -2.350 1.00 61.22 H new ATOM 0 HB2 ASP A 4 -6.882 -10.451 -2.601 1.00 2.12 H new ATOM 0 HB3 ASP A 4 -7.617 -9.401 -1.406 1.00 2.12 H new ATOM 72 N VAL A 5 -4.245 -7.197 -0.990 1.00 73.14 N ATOM 73 CA VAL A 5 -4.043 -5.938 -0.313 1.00 3.22 C ATOM 74 C VAL A 5 -4.474 -4.809 -1.218 1.00 72.24 C ATOM 75 O VAL A 5 -3.991 -4.663 -2.353 1.00 11.20 O ATOM 76 CB VAL A 5 -2.565 -5.734 0.208 1.00 50.22 C ATOM 77 CG1 VAL A 5 -1.528 -5.879 -0.898 1.00 64.03 C ATOM 78 CG2 VAL A 5 -2.412 -4.378 0.900 1.00 15.31 C ATOM 0 H VAL A 5 -3.452 -7.521 -1.544 1.00 73.14 H new ATOM 0 HA VAL A 5 -4.662 -5.944 0.584 1.00 3.22 H new ATOM 0 HB VAL A 5 -2.380 -6.528 0.932 1.00 50.22 H new ATOM 0 HG11 VAL A 5 -0.531 -5.729 -0.484 1.00 64.03 H new ATOM 0 HG12 VAL A 5 -1.595 -6.877 -1.331 1.00 64.03 H new ATOM 0 HG13 VAL A 5 -1.715 -5.135 -1.672 1.00 64.03 H new ATOM 0 HG21 VAL A 5 -1.386 -4.262 1.250 1.00 15.31 H new ATOM 0 HG22 VAL A 5 -2.648 -3.581 0.195 1.00 15.31 H new ATOM 0 HG23 VAL A 5 -3.093 -4.324 1.749 1.00 15.31 H new ATOM 88 N VAL A 6 -5.407 -4.058 -0.746 1.00 63.45 N ATOM 89 CA VAL A 6 -5.956 -2.977 -1.488 1.00 55.41 C ATOM 90 C VAL A 6 -5.519 -1.700 -0.825 1.00 71.53 C ATOM 91 O VAL A 6 -5.914 -1.417 0.310 1.00 24.14 O ATOM 92 CB VAL A 6 -7.499 -3.029 -1.467 1.00 40.43 C ATOM 93 CG1 VAL A 6 -8.110 -1.998 -2.402 1.00 41.21 C ATOM 94 CG2 VAL A 6 -8.001 -4.421 -1.780 1.00 65.12 C ATOM 0 H VAL A 6 -5.816 -4.179 0.180 1.00 63.45 H new ATOM 0 HA VAL A 6 -5.615 -3.035 -2.522 1.00 55.41 H new ATOM 0 HB VAL A 6 -7.820 -2.777 -0.456 1.00 40.43 H new ATOM 0 HG11 VAL A 6 -9.197 -2.066 -2.359 1.00 41.21 H new ATOM 0 HG12 VAL A 6 -7.797 -0.999 -2.097 1.00 41.21 H new ATOM 0 HG13 VAL A 6 -7.775 -2.188 -3.422 1.00 41.21 H new ATOM 0 HG21 VAL A 6 -9.091 -4.428 -1.758 1.00 65.12 H new ATOM 0 HG22 VAL A 6 -7.656 -4.718 -2.770 1.00 65.12 H new ATOM 0 HG23 VAL A 6 -7.619 -5.121 -1.037 1.00 65.12 H new ATOM 104 N ILE A 7 -4.702 -0.965 -1.490 1.00 74.43 N ATOM 105 CA ILE A 7 -4.226 0.274 -0.976 1.00 24.53 C ATOM 106 C ILE A 7 -4.619 1.405 -1.908 1.00 74.41 C ATOM 107 O ILE A 7 -4.135 1.517 -3.044 1.00 63.42 O ATOM 108 CB ILE A 7 -2.693 0.241 -0.652 1.00 30.12 C ATOM 109 CG1 ILE A 7 -2.156 1.650 -0.368 1.00 44.34 C ATOM 110 CG2 ILE A 7 -1.891 -0.461 -1.740 1.00 24.34 C ATOM 111 CD1 ILE A 7 -0.704 1.689 0.049 1.00 74.15 C ATOM 0 H ILE A 7 -4.341 -1.206 -2.413 1.00 74.43 H new ATOM 0 HA ILE A 7 -4.707 0.457 -0.015 1.00 24.53 H new ATOM 0 HB ILE A 7 -2.568 -0.349 0.256 1.00 30.12 H new ATOM 0 HG12 ILE A 7 -2.282 2.261 -1.262 1.00 44.34 H new ATOM 0 HG13 ILE A 7 -2.760 2.105 0.417 1.00 44.34 H new ATOM 0 HG21 ILE A 7 -0.835 -0.459 -1.472 1.00 24.34 H new ATOM 0 HG22 ILE A 7 -2.238 -1.489 -1.842 1.00 24.34 H new ATOM 0 HG23 ILE A 7 -2.026 0.062 -2.687 1.00 24.34 H new ATOM 0 HD11 ILE A 7 -0.405 2.721 0.230 1.00 74.15 H new ATOM 0 HD12 ILE A 7 -0.572 1.108 0.961 1.00 74.15 H new ATOM 0 HD13 ILE A 7 -0.086 1.266 -0.743 1.00 74.15 H new ATOM 123 N ILE A 8 -5.538 2.189 -1.451 1.00 4.01 N ATOM 124 CA ILE A 8 -6.071 3.272 -2.220 1.00 13.00 C ATOM 125 C ILE A 8 -5.608 4.569 -1.607 1.00 45.24 C ATOM 126 O ILE A 8 -5.841 4.797 -0.439 1.00 73.55 O ATOM 127 CB ILE A 8 -7.626 3.255 -2.217 1.00 22.13 C ATOM 128 CG1 ILE A 8 -8.153 1.861 -2.601 1.00 65.22 C ATOM 129 CG2 ILE A 8 -8.167 4.318 -3.181 1.00 15.04 C ATOM 130 CD1 ILE A 8 -9.667 1.733 -2.562 1.00 1.53 C ATOM 0 H ILE A 8 -5.948 2.097 -0.521 1.00 4.01 H new ATOM 0 HA ILE A 8 -5.723 3.171 -3.248 1.00 13.00 H new ATOM 0 HB ILE A 8 -7.975 3.486 -1.210 1.00 22.13 H new ATOM 0 HG12 ILE A 8 -7.805 1.618 -3.605 1.00 65.22 H new ATOM 0 HG13 ILE A 8 -7.720 1.123 -1.926 1.00 65.22 H new ATOM 0 HG21 ILE A 8 -9.257 4.297 -3.171 1.00 15.04 H new ATOM 0 HG22 ILE A 8 -7.820 5.303 -2.869 1.00 15.04 H new ATOM 0 HG23 ILE A 8 -7.809 4.110 -4.190 1.00 15.04 H new ATOM 0 HD11 ILE A 8 -9.954 0.720 -2.846 1.00 1.53 H new ATOM 0 HD12 ILE A 8 -10.024 1.942 -1.554 1.00 1.53 H new ATOM 0 HD13 ILE A 8 -10.110 2.444 -3.259 1.00 1.53 H new ATOM 142 N PRO A 9 -4.843 5.358 -2.331 1.00 73.53 N ATOM 143 CA PRO A 9 -4.511 6.681 -1.898 1.00 11.34 C ATOM 144 C PRO A 9 -5.496 7.707 -2.480 1.00 60.10 C ATOM 145 O PRO A 9 -5.929 7.587 -3.639 1.00 2.42 O ATOM 146 CB PRO A 9 -3.104 6.887 -2.471 1.00 33.00 C ATOM 147 CG PRO A 9 -3.002 5.956 -3.652 1.00 60.43 C ATOM 148 CD PRO A 9 -4.190 5.015 -3.596 1.00 25.33 C ATOM 0 HA PRO A 9 -4.557 6.807 -0.816 1.00 11.34 H new ATOM 0 HB2 PRO A 9 -2.953 7.923 -2.775 1.00 33.00 H new ATOM 0 HB3 PRO A 9 -2.341 6.659 -1.726 1.00 33.00 H new ATOM 0 HG2 PRO A 9 -3.003 6.519 -4.585 1.00 60.43 H new ATOM 0 HG3 PRO A 9 -2.068 5.396 -3.619 1.00 60.43 H new ATOM 0 HD2 PRO A 9 -4.858 5.162 -4.445 1.00 25.33 H new ATOM 0 HD3 PRO A 9 -3.876 3.971 -3.615 1.00 25.33 H new ATOM 156 N GLU A 10 -5.870 8.666 -1.696 1.00 10.41 N ATOM 157 CA GLU A 10 -6.724 9.731 -2.154 1.00 32.13 C ATOM 158 C GLU A 10 -6.470 11.008 -1.373 1.00 12.23 C ATOM 159 O GLU A 10 -6.499 11.019 -0.154 1.00 74.33 O ATOM 160 CB GLU A 10 -8.242 9.364 -2.152 1.00 72.33 C ATOM 161 CG GLU A 10 -8.849 8.911 -0.813 1.00 53.11 C ATOM 162 CD GLU A 10 -8.477 7.490 -0.413 1.00 55.51 C ATOM 163 OE1 GLU A 10 -9.123 6.543 -0.931 1.00 4.32 O ATOM 164 OE2 GLU A 10 -7.566 7.316 0.427 1.00 64.13 O ATOM 0 H GLU A 10 -5.595 8.739 -0.717 1.00 10.41 H new ATOM 0 HA GLU A 10 -6.459 9.898 -3.198 1.00 32.13 H new ATOM 0 HB2 GLU A 10 -8.801 10.232 -2.501 1.00 72.33 H new ATOM 0 HB3 GLU A 10 -8.399 8.569 -2.881 1.00 72.33 H new ATOM 0 HG2 GLU A 10 -8.524 9.595 -0.029 1.00 53.11 H new ATOM 0 HG3 GLU A 10 -9.935 8.988 -0.874 1.00 53.11 H new ATOM 171 N SER A 11 -6.167 12.069 -2.069 1.00 20.53 N ATOM 172 CA SER A 11 -5.965 13.342 -1.433 1.00 3.54 C ATOM 173 C SER A 11 -7.289 13.858 -0.850 1.00 32.52 C ATOM 174 O SER A 11 -8.236 14.128 -1.612 1.00 4.24 O ATOM 175 CB SER A 11 -5.372 14.321 -2.432 1.00 41.43 C ATOM 176 OG SER A 11 -4.119 13.840 -2.898 1.00 71.31 O ATOM 0 H SER A 11 -6.054 12.077 -3.083 1.00 20.53 H new ATOM 0 HA SER A 11 -5.263 13.233 -0.607 1.00 3.54 H new ATOM 0 HB2 SER A 11 -6.054 14.455 -3.271 1.00 41.43 H new ATOM 0 HB3 SER A 11 -5.245 15.298 -1.965 1.00 41.43 H new ATOM 0 HG SER A 11 -4.123 12.860 -2.895 1.00 71.31 H new ATOM 182 N PHE A 12 -7.363 13.968 0.493 1.00 54.52 N ATOM 183 CA PHE A 12 -8.581 14.365 1.171 1.00 50.31 C ATOM 184 C PHE A 12 -9.113 15.698 0.727 1.00 3.23 C ATOM 185 O PHE A 12 -8.480 16.733 0.878 1.00 44.50 O ATOM 186 CB PHE A 12 -8.525 14.242 2.716 1.00 64.13 C ATOM 187 CG PHE A 12 -7.372 14.905 3.465 1.00 55.42 C ATOM 188 CD1 PHE A 12 -7.186 16.273 3.449 1.00 63.24 C ATOM 189 CD2 PHE A 12 -6.527 14.141 4.253 1.00 54.42 C ATOM 190 CE1 PHE A 12 -6.184 16.855 4.192 1.00 54.30 C ATOM 191 CE2 PHE A 12 -5.517 14.719 4.984 1.00 10.42 C ATOM 192 CZ PHE A 12 -5.346 16.074 4.956 1.00 20.44 C ATOM 0 H PHE A 12 -6.579 13.783 1.119 1.00 54.52 H new ATOM 0 HA PHE A 12 -9.309 13.621 0.847 1.00 50.31 H new ATOM 0 HB2 PHE A 12 -9.455 14.650 3.113 1.00 64.13 H new ATOM 0 HB3 PHE A 12 -8.511 13.180 2.962 1.00 64.13 H new ATOM 0 HD1 PHE A 12 -7.834 16.893 2.847 1.00 63.24 H new ATOM 0 HD2 PHE A 12 -6.665 13.071 4.294 1.00 54.42 H new ATOM 0 HE1 PHE A 12 -6.055 17.927 4.176 1.00 54.30 H new ATOM 0 HE2 PHE A 12 -4.860 14.103 5.580 1.00 10.42 H new ATOM 0 HZ PHE A 12 -4.555 16.532 5.532 1.00 20.44 H new ATOM 202 N HIS A 13 -10.256 15.642 0.138 1.00 64.41 N ATOM 203 CA HIS A 13 -10.941 16.781 -0.350 1.00 43.02 C ATOM 204 C HIS A 13 -12.401 16.548 -0.200 1.00 63.13 C ATOM 205 O HIS A 13 -12.844 15.410 -0.016 1.00 42.42 O ATOM 206 CB HIS A 13 -10.586 17.087 -1.825 1.00 33.41 C ATOM 207 CG HIS A 13 -9.212 17.656 -2.009 1.00 31.04 C ATOM 208 ND1 HIS A 13 -8.092 16.896 -2.193 1.00 35.33 N ATOM 209 CD2 HIS A 13 -8.788 18.942 -1.973 1.00 20.23 C ATOM 210 CE1 HIS A 13 -7.041 17.715 -2.252 1.00 50.02 C ATOM 211 NE2 HIS A 13 -7.410 18.974 -2.129 1.00 34.22 N ATOM 0 H HIS A 13 -10.756 14.767 -0.022 1.00 64.41 H new ATOM 0 HA HIS A 13 -10.634 17.652 0.229 1.00 43.02 H new ATOM 0 HB2 HIS A 13 -10.671 16.170 -2.408 1.00 33.41 H new ATOM 0 HB3 HIS A 13 -11.317 17.789 -2.227 1.00 33.41 H new ATOM 0 HD1 HIS A 13 -8.064 15.879 -2.272 1.00 35.33 H new ATOM 0 HD2 HIS A 13 -9.423 19.806 -1.843 1.00 20.23 H new ATOM 0 HE1 HIS A 13 -6.020 17.389 -2.384 1.00 50.02 H new ATOM 219 N ARG A 14 -13.132 17.590 -0.270 1.00 15.41 N ATOM 220 CA ARG A 14 -14.529 17.552 -0.170 1.00 35.31 C ATOM 221 C ARG A 14 -15.013 18.401 -1.276 1.00 32.20 C ATOM 222 O ARG A 14 -14.317 19.346 -1.643 1.00 22.13 O ATOM 223 CB ARG A 14 -14.987 18.176 1.134 1.00 11.23 C ATOM 224 CG ARG A 14 -16.469 18.030 1.406 1.00 25.20 C ATOM 225 CD ARG A 14 -16.994 19.170 2.234 1.00 52.32 C ATOM 226 NE ARG A 14 -17.101 20.400 1.435 1.00 55.44 N ATOM 227 CZ ARG A 14 -16.928 21.640 1.894 1.00 14.55 C ATOM 228 NH1 ARG A 14 -16.406 21.848 3.102 1.00 71.43 N ATOM 229 NH2 ARG A 14 -17.252 22.675 1.126 1.00 41.55 N ATOM 0 H ARG A 14 -12.756 18.528 -0.404 1.00 15.41 H new ATOM 0 HA ARG A 14 -14.900 16.528 -0.210 1.00 35.31 H new ATOM 0 HB2 ARG A 14 -14.432 17.722 1.955 1.00 11.23 H new ATOM 0 HB3 ARG A 14 -14.734 19.236 1.125 1.00 11.23 H new ATOM 0 HG2 ARG A 14 -17.010 17.986 0.461 1.00 25.20 H new ATOM 0 HG3 ARG A 14 -16.654 17.088 1.923 1.00 25.20 H new ATOM 0 HD2 ARG A 14 -17.972 18.909 2.639 1.00 52.32 H new ATOM 0 HD3 ARG A 14 -16.333 19.341 3.084 1.00 52.32 H new ATOM 0 HE ARG A 14 -17.327 20.296 0.446 1.00 55.44 H new ATOM 0 HH11 ARG A 14 -16.135 21.055 3.684 1.00 71.43 H new ATOM 0 HH12 ARG A 14 -16.277 22.800 3.445 1.00 71.43 H new ATOM 0 HH21 ARG A 14 -17.630 22.518 0.192 1.00 41.55 H new ATOM 0 HH22 ARG A 14 -17.122 23.626 1.471 1.00 41.55 H new ATOM 243 N PHE A 15 -16.158 18.093 -1.799 1.00 62.12 N ATOM 244 CA PHE A 15 -16.736 18.872 -2.826 1.00 1.42 C ATOM 245 C PHE A 15 -16.990 20.263 -2.356 1.00 62.51 C ATOM 246 O PHE A 15 -17.739 20.503 -1.381 1.00 74.45 O ATOM 247 CB PHE A 15 -18.029 18.283 -3.355 1.00 44.03 C ATOM 248 CG PHE A 15 -17.845 17.271 -4.417 1.00 33.31 C ATOM 249 CD1 PHE A 15 -17.375 17.661 -5.654 1.00 40.42 C ATOM 250 CD2 PHE A 15 -18.152 15.946 -4.204 1.00 30.41 C ATOM 251 CE1 PHE A 15 -17.214 16.759 -6.659 1.00 22.02 C ATOM 252 CE2 PHE A 15 -17.996 15.030 -5.213 1.00 41.03 C ATOM 253 CZ PHE A 15 -17.528 15.437 -6.443 1.00 74.22 C ATOM 0 H PHE A 15 -16.715 17.286 -1.517 1.00 62.12 H new ATOM 0 HA PHE A 15 -16.013 18.880 -3.642 1.00 1.42 H new ATOM 0 HB2 PHE A 15 -18.574 17.829 -2.527 1.00 44.03 H new ATOM 0 HB3 PHE A 15 -18.651 19.090 -3.742 1.00 44.03 H new ATOM 0 HD1 PHE A 15 -17.131 18.699 -5.827 1.00 40.42 H new ATOM 0 HD2 PHE A 15 -18.517 15.627 -3.239 1.00 30.41 H new ATOM 0 HE1 PHE A 15 -16.842 17.079 -7.621 1.00 22.02 H new ATOM 0 HE2 PHE A 15 -18.240 13.992 -5.043 1.00 41.03 H new ATOM 0 HZ PHE A 15 -17.407 14.717 -7.239 1.00 74.22 H new ATOM 263 N ASP A 16 -16.314 21.137 -2.973 1.00 72.41 N ATOM 264 CA ASP A 16 -16.503 22.542 -2.801 1.00 10.23 C ATOM 265 C ASP A 16 -17.537 22.954 -3.873 1.00 14.15 C ATOM 266 O ASP A 16 -18.282 22.082 -4.367 1.00 22.11 O ATOM 267 CB ASP A 16 -15.153 23.271 -2.977 1.00 4.23 C ATOM 268 CG ASP A 16 -15.147 24.691 -2.459 1.00 10.21 C ATOM 269 OD1 ASP A 16 -15.627 25.597 -3.154 1.00 1.32 O ATOM 270 OD2 ASP A 16 -14.633 24.924 -1.344 1.00 52.02 O ATOM 0 H ASP A 16 -15.581 20.903 -3.642 1.00 72.41 H new ATOM 0 HA ASP A 16 -16.864 22.805 -1.807 1.00 10.23 H new ATOM 0 HB2 ASP A 16 -14.377 22.705 -2.463 1.00 4.23 H new ATOM 0 HB3 ASP A 16 -14.893 23.280 -4.035 1.00 4.23 H new ATOM 275 N LYS A 17 -17.618 24.212 -4.243 1.00 44.02 N ATOM 276 CA LYS A 17 -18.592 24.605 -5.232 1.00 15.22 C ATOM 277 C LYS A 17 -18.202 24.071 -6.615 1.00 31.31 C ATOM 278 O LYS A 17 -19.009 23.427 -7.285 1.00 3.42 O ATOM 279 CB LYS A 17 -18.815 26.131 -5.265 1.00 1.13 C ATOM 280 CG LYS A 17 -20.002 26.544 -6.148 1.00 53.23 C ATOM 281 CD LYS A 17 -20.270 28.052 -6.137 1.00 64.43 C ATOM 282 CE LYS A 17 -19.190 28.849 -6.860 1.00 1.31 C ATOM 283 NZ LYS A 17 -19.113 28.519 -8.303 1.00 62.34 N ATOM 0 H LYS A 17 -17.034 24.966 -3.882 1.00 44.02 H new ATOM 0 HA LYS A 17 -19.543 24.158 -4.943 1.00 15.22 H new ATOM 0 HB2 LYS A 17 -18.982 26.490 -4.250 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -17.911 26.617 -5.631 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -19.813 26.223 -7.172 1.00 53.23 H new ATOM 0 HG3 LYS A 17 -20.896 26.021 -5.810 1.00 53.23 H new ATOM 0 HD2 LYS A 17 -21.235 28.248 -6.605 1.00 64.43 H new ATOM 0 HD3 LYS A 17 -20.340 28.396 -5.105 1.00 64.43 H new ATOM 0 HE2 LYS A 17 -19.390 29.914 -6.744 1.00 1.31 H new ATOM 0 HE3 LYS A 17 -18.225 28.653 -6.394 1.00 1.31 H new ATOM 0 HZ1 LYS A 17 -18.530 29.229 -8.791 1.00 62.34 H new ATOM 0 HZ2 LYS A 17 -18.685 27.579 -8.422 1.00 62.34 H new ATOM 0 HZ3 LYS A 17 -20.070 28.518 -8.710 1.00 62.34 H new ATOM 297 N HIS A 18 -16.981 24.347 -7.045 1.00 14.13 N ATOM 298 CA HIS A 18 -16.534 23.863 -8.352 1.00 14.13 C ATOM 299 C HIS A 18 -15.101 23.297 -8.258 1.00 11.51 C ATOM 300 O HIS A 18 -14.500 22.889 -9.258 1.00 20.35 O ATOM 301 CB HIS A 18 -16.624 25.020 -9.373 1.00 11.13 C ATOM 302 CG HIS A 18 -16.552 24.615 -10.819 1.00 33.31 C ATOM 303 ND1 HIS A 18 -15.471 24.849 -11.639 1.00 12.11 N ATOM 304 CD2 HIS A 18 -17.488 24.028 -11.599 1.00 52.42 C ATOM 305 CE1 HIS A 18 -15.775 24.411 -12.860 1.00 34.42 C ATOM 306 NE2 HIS A 18 -16.994 23.901 -12.892 1.00 43.22 N ATOM 0 H HIS A 18 -16.292 24.891 -6.526 1.00 14.13 H new ATOM 0 HA HIS A 18 -17.178 23.050 -8.687 1.00 14.13 H new ATOM 0 HB2 HIS A 18 -17.560 25.553 -9.209 1.00 11.13 H new ATOM 0 HB3 HIS A 18 -15.817 25.724 -9.170 1.00 11.13 H new ATOM 0 HD2 HIS A 18 -18.465 23.708 -11.269 1.00 52.42 H new ATOM 0 HE1 HIS A 18 -15.113 24.465 -13.711 1.00 34.42 H new ATOM 0 HE2 HIS A 18 -17.473 23.498 -13.698 1.00 43.22 H new ATOM 314 N ASN A 19 -14.579 23.235 -7.060 1.00 33.53 N ATOM 315 CA ASN A 19 -13.216 22.817 -6.841 1.00 62.43 C ATOM 316 C ASN A 19 -13.191 21.668 -5.837 1.00 54.11 C ATOM 317 O ASN A 19 -14.220 21.348 -5.240 1.00 71.32 O ATOM 318 CB ASN A 19 -12.368 24.011 -6.316 1.00 75.15 C ATOM 319 CG ASN A 19 -10.873 23.706 -6.182 1.00 34.33 C ATOM 320 OD1 ASN A 19 -10.303 22.943 -6.973 1.00 2.01 O ATOM 321 ND2 ASN A 19 -10.251 24.238 -5.159 1.00 33.30 N ATOM 0 H ASN A 19 -15.086 23.473 -6.208 1.00 33.53 H new ATOM 0 HA ASN A 19 -12.787 22.477 -7.784 1.00 62.43 H new ATOM 0 HB2 ASN A 19 -12.496 24.858 -6.990 1.00 75.15 H new ATOM 0 HB3 ASN A 19 -12.754 24.317 -5.344 1.00 75.15 H new ATOM 0 HD21 ASN A 19 -9.267 24.027 -4.995 1.00 33.30 H new ATOM 0 HD22 ASN A 19 -10.751 24.863 -4.527 1.00 33.30 H new ATOM 328 N MET A 20 -12.022 21.061 -5.682 1.00 41.20 N ATOM 329 CA MET A 20 -11.752 20.008 -4.710 1.00 32.30 C ATOM 330 C MET A 20 -12.517 18.722 -4.986 1.00 42.24 C ATOM 331 O MET A 20 -13.598 18.485 -4.458 1.00 33.11 O ATOM 332 CB MET A 20 -11.939 20.480 -3.255 1.00 65.15 C ATOM 333 CG MET A 20 -10.983 21.576 -2.814 1.00 44.34 C ATOM 334 SD MET A 20 -11.126 21.944 -1.049 1.00 31.31 S ATOM 335 CE MET A 20 -9.803 23.145 -0.854 1.00 32.32 C ATOM 0 H MET A 20 -11.207 21.296 -6.249 1.00 41.20 H new ATOM 0 HA MET A 20 -10.696 19.769 -4.836 1.00 32.30 H new ATOM 0 HB2 MET A 20 -12.961 20.838 -3.132 1.00 65.15 H new ATOM 0 HB3 MET A 20 -11.819 19.624 -2.591 1.00 65.15 H new ATOM 0 HG2 MET A 20 -9.960 21.274 -3.038 1.00 44.34 H new ATOM 0 HG3 MET A 20 -11.181 22.481 -3.389 1.00 44.34 H new ATOM 0 HE1 MET A 20 -9.759 23.473 0.185 1.00 32.32 H new ATOM 0 HE2 MET A 20 -8.853 22.688 -1.131 1.00 32.32 H new ATOM 0 HE3 MET A 20 -9.994 24.004 -1.498 1.00 32.32 H new ATOM 345 N GLU A 21 -11.939 17.911 -5.836 1.00 60.31 N ATOM 346 CA GLU A 21 -12.466 16.639 -6.196 1.00 32.43 C ATOM 347 C GLU A 21 -11.329 15.818 -6.820 1.00 4.34 C ATOM 348 O GLU A 21 -10.919 16.053 -7.959 1.00 25.52 O ATOM 349 CB GLU A 21 -13.705 16.749 -7.138 1.00 51.23 C ATOM 350 CG GLU A 21 -13.505 17.514 -8.438 1.00 40.45 C ATOM 351 CD GLU A 21 -14.775 17.605 -9.249 1.00 12.11 C ATOM 352 OE1 GLU A 21 -15.177 16.603 -9.878 1.00 70.53 O ATOM 353 OE2 GLU A 21 -15.406 18.677 -9.269 1.00 43.03 O ATOM 0 H GLU A 21 -11.062 18.134 -6.306 1.00 60.31 H new ATOM 0 HA GLU A 21 -12.839 16.134 -5.305 1.00 32.43 H new ATOM 0 HB2 GLU A 21 -14.037 15.740 -7.384 1.00 51.23 H new ATOM 0 HB3 GLU A 21 -14.514 17.225 -6.583 1.00 51.23 H new ATOM 0 HG2 GLU A 21 -13.146 18.519 -8.214 1.00 40.45 H new ATOM 0 HG3 GLU A 21 -12.732 17.024 -9.030 1.00 40.45 H new ATOM 360 N HIS A 22 -10.732 14.959 -6.033 1.00 4.35 N ATOM 361 CA HIS A 22 -9.625 14.147 -6.514 1.00 32.41 C ATOM 362 C HIS A 22 -9.573 12.817 -5.810 1.00 21.30 C ATOM 363 O HIS A 22 -9.741 12.741 -4.593 1.00 43.32 O ATOM 364 CB HIS A 22 -8.286 14.875 -6.316 1.00 72.41 C ATOM 365 CG HIS A 22 -7.104 14.199 -6.943 1.00 14.45 C ATOM 366 ND1 HIS A 22 -7.013 13.908 -8.280 1.00 32.40 N ATOM 367 CD2 HIS A 22 -5.952 13.761 -6.390 1.00 62.21 C ATOM 368 CE1 HIS A 22 -5.839 13.319 -8.493 1.00 40.00 C ATOM 369 NE2 HIS A 22 -5.155 13.204 -7.383 1.00 73.52 N ATOM 0 H HIS A 22 -10.987 14.799 -5.059 1.00 4.35 H new ATOM 0 HA HIS A 22 -9.791 13.977 -7.578 1.00 32.41 H new ATOM 0 HB2 HIS A 22 -8.371 15.881 -6.727 1.00 72.41 H new ATOM 0 HB3 HIS A 22 -8.101 14.982 -5.247 1.00 72.41 H new ATOM 0 HD2 HIS A 22 -5.692 13.832 -5.344 1.00 62.21 H new ATOM 0 HE1 HIS A 22 -5.494 12.979 -9.459 1.00 40.00 H new ATOM 0 HE2 HIS A 22 -4.229 12.791 -7.270 1.00 73.52 H new ATOM 377 N ILE A 23 -9.395 11.787 -6.587 1.00 63.12 N ATOM 378 CA ILE A 23 -9.172 10.457 -6.103 1.00 31.34 C ATOM 379 C ILE A 23 -7.931 9.988 -6.835 1.00 13.21 C ATOM 380 O ILE A 23 -7.749 10.325 -7.997 1.00 62.54 O ATOM 381 CB ILE A 23 -10.364 9.455 -6.424 1.00 45.34 C ATOM 382 CG1 ILE A 23 -11.726 9.947 -5.898 1.00 72.35 C ATOM 383 CG2 ILE A 23 -10.086 8.068 -5.848 1.00 53.24 C ATOM 384 CD1 ILE A 23 -12.353 11.082 -6.679 1.00 33.43 C ATOM 0 H ILE A 23 -9.401 11.853 -7.605 1.00 63.12 H new ATOM 0 HA ILE A 23 -9.080 10.469 -5.017 1.00 31.34 H new ATOM 0 HB ILE A 23 -10.420 9.406 -7.511 1.00 45.34 H new ATOM 0 HG12 ILE A 23 -12.419 9.106 -5.892 1.00 72.35 H new ATOM 0 HG13 ILE A 23 -11.603 10.265 -4.863 1.00 72.35 H new ATOM 0 HG21 ILE A 23 -10.917 7.403 -6.082 1.00 53.24 H new ATOM 0 HG22 ILE A 23 -9.169 7.670 -6.284 1.00 53.24 H new ATOM 0 HG23 ILE A 23 -9.972 8.139 -4.766 1.00 53.24 H new ATOM 0 HD11 ILE A 23 -13.307 11.352 -6.226 1.00 33.43 H new ATOM 0 HD12 ILE A 23 -11.687 11.945 -6.664 1.00 33.43 H new ATOM 0 HD13 ILE A 23 -12.517 10.768 -7.710 1.00 33.43 H new ATOM 396 N CYS A 24 -7.113 9.230 -6.212 1.00 4.42 N ATOM 397 CA CYS A 24 -5.896 8.779 -6.850 1.00 34.42 C ATOM 398 C CYS A 24 -6.047 7.290 -7.195 1.00 41.44 C ATOM 399 O CYS A 24 -6.971 6.641 -6.702 1.00 52.11 O ATOM 400 CB CYS A 24 -4.711 9.005 -5.904 1.00 31.34 C ATOM 401 SG CYS A 24 -4.591 10.704 -5.245 1.00 11.44 S ATOM 0 H CYS A 24 -7.247 8.897 -5.257 1.00 4.42 H new ATOM 0 HA CYS A 24 -5.713 9.340 -7.766 1.00 34.42 H new ATOM 0 HB2 CYS A 24 -4.789 8.308 -5.069 1.00 31.34 H new ATOM 0 HB3 CYS A 24 -3.788 8.767 -6.433 1.00 31.34 H new ATOM 406 N PRO A 25 -5.231 6.765 -8.141 1.00 40.31 N ATOM 407 CA PRO A 25 -5.315 5.358 -8.595 1.00 15.00 C ATOM 408 C PRO A 25 -5.214 4.319 -7.457 1.00 40.13 C ATOM 409 O PRO A 25 -4.209 4.269 -6.741 1.00 71.13 O ATOM 410 CB PRO A 25 -4.110 5.223 -9.531 1.00 13.34 C ATOM 411 CG PRO A 25 -3.881 6.593 -10.035 1.00 35.12 C ATOM 412 CD PRO A 25 -4.186 7.500 -8.885 1.00 61.34 C ATOM 0 HA PRO A 25 -6.282 5.157 -9.055 1.00 15.00 H new ATOM 0 HB2 PRO A 25 -3.236 4.843 -9.002 1.00 13.34 H new ATOM 0 HB3 PRO A 25 -4.316 4.529 -10.346 1.00 13.34 H new ATOM 0 HG2 PRO A 25 -2.852 6.720 -10.372 1.00 35.12 H new ATOM 0 HG3 PRO A 25 -4.525 6.810 -10.887 1.00 35.12 H new ATOM 0 HD2 PRO A 25 -3.305 7.679 -8.269 1.00 61.34 H new ATOM 0 HD3 PRO A 25 -4.542 8.473 -9.223 1.00 61.34 H new ATOM 420 N PRO A 26 -6.263 3.483 -7.281 1.00 11.40 N ATOM 421 CA PRO A 26 -6.266 2.423 -6.275 1.00 42.23 C ATOM 422 C PRO A 26 -5.338 1.278 -6.685 1.00 24.14 C ATOM 423 O PRO A 26 -5.479 0.703 -7.781 1.00 31.32 O ATOM 424 CB PRO A 26 -7.726 1.951 -6.251 1.00 42.21 C ATOM 425 CG PRO A 26 -8.272 2.305 -7.589 1.00 62.42 C ATOM 426 CD PRO A 26 -7.530 3.528 -8.043 1.00 24.24 C ATOM 0 HA PRO A 26 -5.912 2.765 -5.303 1.00 42.23 H new ATOM 0 HB2 PRO A 26 -7.790 0.878 -6.071 1.00 42.21 H new ATOM 0 HB3 PRO A 26 -8.286 2.442 -5.455 1.00 42.21 H new ATOM 0 HG2 PRO A 26 -8.135 1.484 -8.293 1.00 62.42 H new ATOM 0 HG3 PRO A 26 -9.343 2.500 -7.532 1.00 62.42 H new ATOM 0 HD2 PRO A 26 -7.350 3.509 -9.118 1.00 24.24 H new ATOM 0 HD3 PRO A 26 -8.092 4.437 -7.830 1.00 24.24 H new ATOM 434 N MET A 27 -4.419 0.944 -5.821 1.00 3.31 N ATOM 435 CA MET A 27 -3.417 -0.055 -6.103 1.00 70.40 C ATOM 436 C MET A 27 -3.841 -1.354 -5.414 1.00 14.43 C ATOM 437 O MET A 27 -4.152 -1.349 -4.225 1.00 20.44 O ATOM 438 CB MET A 27 -2.077 0.436 -5.548 1.00 54.52 C ATOM 439 CG MET A 27 -0.851 -0.294 -6.060 1.00 55.42 C ATOM 440 SD MET A 27 -0.460 0.109 -7.786 1.00 33.35 S ATOM 441 CE MET A 27 -0.123 1.871 -7.674 1.00 45.13 C ATOM 0 H MET A 27 -4.341 1.359 -4.893 1.00 3.31 H new ATOM 0 HA MET A 27 -3.315 -0.229 -7.174 1.00 70.40 H new ATOM 0 HB2 MET A 27 -1.972 1.495 -5.784 1.00 54.52 H new ATOM 0 HB3 MET A 27 -2.101 0.352 -4.462 1.00 54.52 H new ATOM 0 HG2 MET A 27 0.004 -0.044 -5.431 1.00 55.42 H new ATOM 0 HG3 MET A 27 -1.010 -1.369 -5.970 1.00 55.42 H new ATOM 0 HE1 MET A 27 0.667 2.136 -8.377 1.00 45.13 H new ATOM 0 HE2 MET A 27 -1.027 2.430 -7.916 1.00 45.13 H new ATOM 0 HE3 MET A 27 0.195 2.117 -6.661 1.00 45.13 H new ATOM 451 N VAL A 28 -3.878 -2.443 -6.147 1.00 72.03 N ATOM 452 CA VAL A 28 -4.362 -3.721 -5.605 1.00 21.13 C ATOM 453 C VAL A 28 -3.338 -4.819 -5.898 1.00 22.23 C ATOM 454 O VAL A 28 -2.887 -4.950 -7.042 1.00 44.31 O ATOM 455 CB VAL A 28 -5.724 -4.130 -6.268 1.00 32.31 C ATOM 456 CG1 VAL A 28 -6.276 -5.411 -5.657 1.00 72.11 C ATOM 457 CG2 VAL A 28 -6.757 -3.012 -6.175 1.00 23.33 C ATOM 0 H VAL A 28 -3.582 -2.484 -7.122 1.00 72.03 H new ATOM 0 HA VAL A 28 -4.505 -3.602 -4.531 1.00 21.13 H new ATOM 0 HB VAL A 28 -5.519 -4.312 -7.323 1.00 32.31 H new ATOM 0 HG11 VAL A 28 -7.220 -5.666 -6.139 1.00 72.11 H new ATOM 0 HG12 VAL A 28 -5.562 -6.222 -5.805 1.00 72.11 H new ATOM 0 HG13 VAL A 28 -6.441 -5.263 -4.590 1.00 72.11 H new ATOM 0 HG21 VAL A 28 -7.686 -3.335 -6.645 1.00 23.33 H new ATOM 0 HG22 VAL A 28 -6.944 -2.775 -5.128 1.00 23.33 H new ATOM 0 HG23 VAL A 28 -6.381 -2.126 -6.686 1.00 23.33 H new ATOM 467 N ILE A 29 -2.952 -5.577 -4.880 1.00 53.20 N ATOM 468 CA ILE A 29 -1.999 -6.681 -5.040 1.00 34.44 C ATOM 469 C ILE A 29 -2.490 -7.930 -4.304 1.00 74.43 C ATOM 470 O ILE A 29 -2.461 -7.996 -3.066 1.00 74.22 O ATOM 471 CB ILE A 29 -0.546 -6.309 -4.541 1.00 24.51 C ATOM 472 CG1 ILE A 29 0.081 -5.195 -5.404 1.00 74.01 C ATOM 473 CG2 ILE A 29 0.380 -7.538 -4.507 1.00 11.42 C ATOM 474 CD1 ILE A 29 0.279 -5.579 -6.862 1.00 21.43 C ATOM 0 H ILE A 29 -3.285 -5.450 -3.924 1.00 53.20 H new ATOM 0 HA ILE A 29 -1.939 -6.884 -6.109 1.00 34.44 H new ATOM 0 HB ILE A 29 -0.652 -5.937 -3.522 1.00 24.51 H new ATOM 0 HG12 ILE A 29 -0.554 -4.311 -5.355 1.00 74.01 H new ATOM 0 HG13 ILE A 29 1.045 -4.919 -4.978 1.00 74.01 H new ATOM 0 HG21 ILE A 29 1.369 -7.239 -4.159 1.00 11.42 H new ATOM 0 HG22 ILE A 29 -0.033 -8.286 -3.830 1.00 11.42 H new ATOM 0 HG23 ILE A 29 0.461 -7.961 -5.508 1.00 11.42 H new ATOM 0 HD11 ILE A 29 0.724 -4.743 -7.401 1.00 21.43 H new ATOM 0 HD12 ILE A 29 0.940 -6.444 -6.924 1.00 21.43 H new ATOM 0 HD13 ILE A 29 -0.685 -5.826 -7.307 1.00 21.43 H new ATOM 486 N GLY A 30 -2.946 -8.906 -5.049 1.00 61.22 N ATOM 487 CA GLY A 30 -3.377 -10.132 -4.437 1.00 30.12 C ATOM 488 C GLY A 30 -2.383 -11.233 -4.623 1.00 23.44 C ATOM 489 O GLY A 30 -2.537 -12.079 -5.509 1.00 2.14 O ATOM 0 H GLY A 30 -3.027 -8.875 -6.065 1.00 61.22 H new ATOM 0 HA2 GLY A 30 -3.540 -9.967 -3.372 1.00 30.12 H new ATOM 0 HA3 GLY A 30 -4.334 -10.432 -4.863 1.00 30.12 H new ATOM 493 N ASP A 31 -1.357 -11.222 -3.779 1.00 13.23 N ATOM 494 CA ASP A 31 -0.282 -12.246 -3.804 1.00 34.32 C ATOM 495 C ASP A 31 0.637 -12.121 -2.555 1.00 23.50 C ATOM 496 O ASP A 31 1.811 -12.469 -2.578 1.00 2.11 O ATOM 497 CB ASP A 31 0.546 -12.137 -5.120 1.00 3.40 C ATOM 498 CG ASP A 31 1.554 -13.275 -5.320 1.00 41.20 C ATOM 499 OD1 ASP A 31 1.127 -14.440 -5.515 1.00 1.22 O ATOM 500 OD2 ASP A 31 2.781 -13.029 -5.286 1.00 31.32 O ATOM 0 H ASP A 31 -1.234 -10.513 -3.056 1.00 13.23 H new ATOM 0 HA ASP A 31 -0.749 -13.231 -3.775 1.00 34.32 H new ATOM 0 HB2 ASP A 31 -0.139 -12.119 -5.968 1.00 3.40 H new ATOM 0 HB3 ASP A 31 1.081 -11.187 -5.123 1.00 3.40 H new ATOM 505 N ARG A 32 0.084 -11.686 -1.449 1.00 72.21 N ATOM 506 CA ARG A 32 0.862 -11.509 -0.232 1.00 4.14 C ATOM 507 C ARG A 32 0.202 -12.302 0.847 1.00 63.04 C ATOM 508 O ARG A 32 -0.992 -12.246 0.967 1.00 44.44 O ATOM 509 CB ARG A 32 0.925 -10.010 0.133 1.00 3.21 C ATOM 510 CG ARG A 32 1.758 -9.189 -0.848 1.00 64.30 C ATOM 511 CD ARG A 32 3.240 -9.467 -0.653 1.00 23.11 C ATOM 512 NE ARG A 32 4.069 -9.045 -1.789 1.00 12.12 N ATOM 513 CZ ARG A 32 4.855 -7.962 -1.832 1.00 13.01 C ATOM 514 NH1 ARG A 32 4.638 -6.914 -1.029 1.00 50.52 N ATOM 515 NH2 ARG A 32 5.814 -7.903 -2.720 1.00 31.44 N ATOM 0 H ARG A 32 -0.903 -11.446 -1.359 1.00 72.21 H new ATOM 0 HA ARG A 32 1.886 -11.857 -0.366 1.00 4.14 H new ATOM 0 HB2 ARG A 32 -0.087 -9.607 0.166 1.00 3.21 H new ATOM 0 HB3 ARG A 32 1.343 -9.903 1.134 1.00 3.21 H new ATOM 0 HG2 ARG A 32 1.468 -9.431 -1.871 1.00 64.30 H new ATOM 0 HG3 ARG A 32 1.559 -8.127 -0.703 1.00 64.30 H new ATOM 0 HD2 ARG A 32 3.582 -8.955 0.246 1.00 23.11 H new ATOM 0 HD3 ARG A 32 3.383 -10.535 -0.486 1.00 23.11 H new ATOM 0 HE ARG A 32 4.044 -9.632 -2.623 1.00 12.12 H new ATOM 0 HH11 ARG A 32 3.862 -6.930 -0.368 1.00 50.52 H new ATOM 0 HH12 ARG A 32 5.249 -6.099 -1.078 1.00 50.52 H new ATOM 0 HH21 ARG A 32 5.956 -8.677 -3.369 1.00 31.44 H new ATOM 0 HH22 ARG A 32 6.420 -7.083 -2.763 1.00 31.44 H new ATOM 529 N SER A 33 0.944 -13.050 1.611 1.00 35.34 N ATOM 530 CA SER A 33 0.354 -13.859 2.623 1.00 12.21 C ATOM 531 C SER A 33 0.134 -13.060 3.875 1.00 15.11 C ATOM 532 O SER A 33 0.817 -12.096 4.093 1.00 21.13 O ATOM 533 CB SER A 33 1.184 -15.099 2.834 1.00 64.45 C ATOM 534 OG SER A 33 2.556 -14.795 2.702 1.00 73.32 O ATOM 0 H SER A 33 1.960 -13.113 1.548 1.00 35.34 H new ATOM 0 HA SER A 33 -0.634 -14.194 2.306 1.00 12.21 H new ATOM 0 HB2 SER A 33 0.989 -15.512 3.824 1.00 64.45 H new ATOM 0 HB3 SER A 33 0.902 -15.862 2.109 1.00 64.45 H new ATOM 0 HG SER A 33 3.091 -15.549 3.027 1.00 73.32 H new ATOM 540 N TYR A 34 -0.810 -13.481 4.677 1.00 60.10 N ATOM 541 CA TYR A 34 -1.280 -12.750 5.870 1.00 22.00 C ATOM 542 C TYR A 34 -0.162 -12.282 6.760 1.00 31.13 C ATOM 543 O TYR A 34 -0.039 -11.085 7.070 1.00 2.34 O ATOM 544 CB TYR A 34 -2.232 -13.646 6.664 1.00 2.22 C ATOM 545 CG TYR A 34 -2.755 -13.079 7.976 1.00 15.54 C ATOM 546 CD1 TYR A 34 -3.751 -12.104 8.009 1.00 44.13 C ATOM 547 CD2 TYR A 34 -2.266 -13.548 9.188 1.00 43.32 C ATOM 548 CE1 TYR A 34 -4.234 -11.624 9.208 1.00 72.12 C ATOM 549 CE2 TYR A 34 -2.743 -13.067 10.384 1.00 62.45 C ATOM 550 CZ TYR A 34 -3.724 -12.110 10.393 1.00 43.45 C ATOM 551 OH TYR A 34 -4.209 -11.641 11.597 1.00 45.30 O ATOM 0 H TYR A 34 -1.299 -14.364 4.531 1.00 60.10 H new ATOM 0 HA TYR A 34 -1.791 -11.854 5.518 1.00 22.00 H new ATOM 0 HB2 TYR A 34 -3.086 -13.885 6.030 1.00 2.22 H new ATOM 0 HB3 TYR A 34 -1.721 -14.585 6.877 1.00 2.22 H new ATOM 0 HD1 TYR A 34 -4.150 -11.719 7.082 1.00 44.13 H new ATOM 0 HD2 TYR A 34 -1.496 -14.305 9.191 1.00 43.32 H new ATOM 0 HE1 TYR A 34 -5.008 -10.871 9.219 1.00 72.12 H new ATOM 0 HE2 TYR A 34 -2.345 -13.443 11.315 1.00 62.45 H new ATOM 0 HH TYR A 34 -3.743 -12.088 12.334 1.00 45.30 H new ATOM 561 N ASP A 35 0.654 -13.201 7.125 1.00 40.33 N ATOM 562 CA ASP A 35 1.711 -12.931 8.074 1.00 41.42 C ATOM 563 C ASP A 35 2.766 -12.058 7.470 1.00 2.52 C ATOM 564 O ASP A 35 3.301 -11.175 8.132 1.00 11.33 O ATOM 565 CB ASP A 35 2.329 -14.205 8.657 1.00 0.40 C ATOM 566 CG ASP A 35 1.335 -15.066 9.406 1.00 32.40 C ATOM 567 OD1 ASP A 35 0.980 -14.725 10.555 1.00 73.11 O ATOM 568 OD2 ASP A 35 0.912 -16.120 8.859 1.00 15.34 O ATOM 0 H ASP A 35 0.623 -14.163 6.786 1.00 40.33 H new ATOM 0 HA ASP A 35 1.249 -12.398 8.905 1.00 41.42 H new ATOM 0 HB2 ASP A 35 2.769 -14.790 7.849 1.00 0.40 H new ATOM 0 HB3 ASP A 35 3.141 -13.931 9.330 1.00 0.40 H new ATOM 573 N ILE A 36 3.016 -12.252 6.200 1.00 44.52 N ATOM 574 CA ILE A 36 4.012 -11.480 5.516 1.00 23.24 C ATOM 575 C ILE A 36 3.469 -10.088 5.225 1.00 1.35 C ATOM 576 O ILE A 36 4.180 -9.090 5.373 1.00 21.54 O ATOM 577 CB ILE A 36 4.500 -12.170 4.208 1.00 62.33 C ATOM 578 CG1 ILE A 36 5.110 -13.543 4.540 1.00 61.55 C ATOM 579 CG2 ILE A 36 5.520 -11.293 3.482 1.00 71.11 C ATOM 580 CD1 ILE A 36 5.674 -14.297 3.345 1.00 13.35 C ATOM 0 H ILE A 36 2.539 -12.942 5.620 1.00 44.52 H new ATOM 0 HA ILE A 36 4.881 -11.401 6.169 1.00 23.24 H new ATOM 0 HB ILE A 36 3.645 -12.312 3.547 1.00 62.33 H new ATOM 0 HG12 ILE A 36 5.905 -13.404 5.272 1.00 61.55 H new ATOM 0 HG13 ILE A 36 4.346 -14.160 5.013 1.00 61.55 H new ATOM 0 HG21 ILE A 36 5.848 -11.794 2.571 1.00 71.11 H new ATOM 0 HG22 ILE A 36 5.062 -10.338 3.226 1.00 71.11 H new ATOM 0 HG23 ILE A 36 6.379 -11.121 4.131 1.00 71.11 H new ATOM 0 HD11 ILE A 36 6.082 -15.252 3.677 1.00 13.35 H new ATOM 0 HD12 ILE A 36 4.881 -14.474 2.619 1.00 13.35 H new ATOM 0 HD13 ILE A 36 6.465 -13.706 2.882 1.00 13.35 H new ATOM 592 N ALA A 37 2.187 -10.030 4.876 1.00 43.31 N ATOM 593 CA ALA A 37 1.519 -8.802 4.548 1.00 30.21 C ATOM 594 C ALA A 37 1.517 -7.877 5.727 1.00 24.54 C ATOM 595 O ALA A 37 1.845 -6.715 5.592 1.00 32.25 O ATOM 596 CB ALA A 37 0.094 -9.052 4.069 1.00 10.21 C ATOM 0 H ALA A 37 1.587 -10.852 4.816 1.00 43.31 H new ATOM 0 HA ALA A 37 2.068 -8.334 3.731 1.00 30.21 H new ATOM 0 HB1 ALA A 37 -0.382 -8.101 3.830 1.00 10.21 H new ATOM 0 HB2 ALA A 37 0.114 -9.682 3.179 1.00 10.21 H new ATOM 0 HB3 ALA A 37 -0.471 -9.553 4.855 1.00 10.21 H new ATOM 602 N MET A 38 1.206 -8.403 6.902 1.00 65.01 N ATOM 603 CA MET A 38 1.168 -7.566 8.081 1.00 52.33 C ATOM 604 C MET A 38 2.560 -7.058 8.424 1.00 65.52 C ATOM 605 O MET A 38 2.729 -5.893 8.765 1.00 33.22 O ATOM 606 CB MET A 38 0.512 -8.275 9.273 1.00 32.31 C ATOM 607 CG MET A 38 0.446 -7.413 10.539 1.00 21.12 C ATOM 608 SD MET A 38 -0.524 -8.164 11.874 1.00 53.41 S ATOM 609 CE MET A 38 -2.162 -8.190 11.131 1.00 51.22 C ATOM 0 H MET A 38 0.981 -9.385 7.059 1.00 65.01 H new ATOM 0 HA MET A 38 0.541 -6.704 7.853 1.00 52.33 H new ATOM 0 HB2 MET A 38 -0.498 -8.576 8.995 1.00 32.31 H new ATOM 0 HB3 MET A 38 1.067 -9.187 9.493 1.00 32.31 H new ATOM 0 HG2 MET A 38 1.459 -7.228 10.896 1.00 21.12 H new ATOM 0 HG3 MET A 38 0.014 -6.444 10.287 1.00 21.12 H new ATOM 0 HE1 MET A 38 -2.915 -8.281 11.914 1.00 51.22 H new ATOM 0 HE2 MET A 38 -2.325 -7.266 10.576 1.00 51.22 H new ATOM 0 HE3 MET A 38 -2.240 -9.039 10.452 1.00 51.22 H new ATOM 619 N GLU A 39 3.560 -7.902 8.253 1.00 23.42 N ATOM 620 CA GLU A 39 4.918 -7.502 8.553 1.00 62.25 C ATOM 621 C GLU A 39 5.416 -6.448 7.593 1.00 14.33 C ATOM 622 O GLU A 39 6.088 -5.493 8.001 1.00 65.13 O ATOM 623 CB GLU A 39 5.881 -8.682 8.591 1.00 14.42 C ATOM 624 CG GLU A 39 5.594 -9.684 9.684 1.00 51.21 C ATOM 625 CD GLU A 39 5.456 -9.043 11.040 1.00 2.41 C ATOM 626 OE1 GLU A 39 6.446 -8.463 11.551 1.00 14.33 O ATOM 627 OE2 GLU A 39 4.362 -9.132 11.635 1.00 32.44 O ATOM 0 H GLU A 39 3.458 -8.858 7.912 1.00 23.42 H new ATOM 0 HA GLU A 39 4.889 -7.070 9.553 1.00 62.25 H new ATOM 0 HB2 GLU A 39 5.849 -9.193 7.629 1.00 14.42 H new ATOM 0 HB3 GLU A 39 6.895 -8.304 8.718 1.00 14.42 H new ATOM 0 HG2 GLU A 39 4.676 -10.222 9.446 1.00 51.21 H new ATOM 0 HG3 GLU A 39 6.396 -10.421 9.715 1.00 51.21 H new ATOM 634 N ILE A 40 5.086 -6.589 6.325 1.00 31.45 N ATOM 635 CA ILE A 40 5.526 -5.619 5.372 1.00 35.12 C ATOM 636 C ILE A 40 4.744 -4.320 5.524 1.00 32.12 C ATOM 637 O ILE A 40 5.328 -3.251 5.478 1.00 11.44 O ATOM 638 CB ILE A 40 5.543 -6.128 3.895 1.00 52.04 C ATOM 639 CG1 ILE A 40 6.139 -5.060 2.977 1.00 14.53 C ATOM 640 CG2 ILE A 40 4.153 -6.532 3.414 1.00 73.34 C ATOM 641 CD1 ILE A 40 6.265 -5.490 1.546 1.00 5.12 C ATOM 0 H ILE A 40 4.526 -7.353 5.946 1.00 31.45 H new ATOM 0 HA ILE A 40 6.573 -5.423 5.603 1.00 35.12 H new ATOM 0 HB ILE A 40 6.168 -7.020 3.860 1.00 52.04 H new ATOM 0 HG12 ILE A 40 5.517 -4.166 3.024 1.00 14.53 H new ATOM 0 HG13 ILE A 40 7.125 -4.782 3.351 1.00 14.53 H new ATOM 0 HG21 ILE A 40 4.212 -6.879 2.383 1.00 73.34 H new ATOM 0 HG22 ILE A 40 3.768 -7.333 4.045 1.00 73.34 H new ATOM 0 HG23 ILE A 40 3.485 -5.673 3.470 1.00 73.34 H new ATOM 0 HD11 ILE A 40 6.695 -4.679 0.959 1.00 5.12 H new ATOM 0 HD12 ILE A 40 6.912 -6.365 1.485 1.00 5.12 H new ATOM 0 HD13 ILE A 40 5.279 -5.739 1.153 1.00 5.12 H new ATOM 653 N VAL A 41 3.440 -4.416 5.803 1.00 0.12 N ATOM 654 CA VAL A 41 2.614 -3.224 5.980 1.00 21.41 C ATOM 655 C VAL A 41 3.086 -2.434 7.187 1.00 24.54 C ATOM 656 O VAL A 41 3.185 -1.221 7.131 1.00 12.11 O ATOM 657 CB VAL A 41 1.078 -3.541 6.071 1.00 2.42 C ATOM 658 CG1 VAL A 41 0.271 -2.297 6.449 1.00 2.31 C ATOM 659 CG2 VAL A 41 0.574 -4.065 4.732 1.00 64.40 C ATOM 0 H VAL A 41 2.940 -5.299 5.910 1.00 0.12 H new ATOM 0 HA VAL A 41 2.738 -2.616 5.084 1.00 21.41 H new ATOM 0 HB VAL A 41 0.944 -4.295 6.846 1.00 2.42 H new ATOM 0 HG11 VAL A 41 -0.787 -2.552 6.503 1.00 2.31 H new ATOM 0 HG12 VAL A 41 0.605 -1.927 7.418 1.00 2.31 H new ATOM 0 HG13 VAL A 41 0.420 -1.524 5.695 1.00 2.31 H new ATOM 0 HG21 VAL A 41 -0.492 -4.282 4.804 1.00 64.40 H new ATOM 0 HG22 VAL A 41 0.740 -3.312 3.961 1.00 64.40 H new ATOM 0 HG23 VAL A 41 1.113 -4.976 4.472 1.00 64.40 H new ATOM 669 N ASN A 42 3.461 -3.133 8.247 1.00 34.21 N ATOM 670 CA ASN A 42 3.965 -2.473 9.447 1.00 32.24 C ATOM 671 C ASN A 42 5.358 -1.879 9.227 1.00 62.23 C ATOM 672 O ASN A 42 5.812 -1.026 9.990 1.00 23.12 O ATOM 673 CB ASN A 42 3.911 -3.389 10.683 1.00 2.11 C ATOM 674 CG ASN A 42 2.481 -3.643 11.174 1.00 23.35 C ATOM 675 OD1 ASN A 42 1.519 -3.613 10.400 1.00 0.24 O ATOM 676 ND2 ASN A 42 2.326 -3.883 12.449 1.00 65.11 N ATOM 0 H ASN A 42 3.427 -4.151 8.304 1.00 34.21 H new ATOM 0 HA ASN A 42 3.294 -1.639 9.653 1.00 32.24 H new ATOM 0 HB2 ASN A 42 4.382 -4.342 10.444 1.00 2.11 H new ATOM 0 HB3 ASN A 42 4.492 -2.939 11.488 1.00 2.11 H new ATOM 0 HD21 ASN A 42 1.394 -4.051 12.827 1.00 65.11 H new ATOM 0 HD22 ASN A 42 3.137 -3.902 13.067 1.00 65.11 H new ATOM 683 N GLY A 43 6.023 -2.318 8.174 1.00 74.53 N ATOM 684 CA GLY A 43 7.282 -1.743 7.793 1.00 3.11 C ATOM 685 C GLY A 43 7.060 -0.521 6.941 1.00 2.45 C ATOM 686 O GLY A 43 7.687 0.516 7.157 1.00 20.01 O ATOM 0 H GLY A 43 5.703 -3.075 7.570 1.00 74.53 H new ATOM 0 HA2 GLY A 43 7.852 -1.476 8.683 1.00 3.11 H new ATOM 0 HA3 GLY A 43 7.873 -2.476 7.244 1.00 3.11 H new ATOM 690 N VAL A 44 6.118 -0.636 5.996 1.00 30.44 N ATOM 691 CA VAL A 44 5.727 0.473 5.118 1.00 3.53 C ATOM 692 C VAL A 44 5.212 1.613 5.996 1.00 62.15 C ATOM 693 O VAL A 44 5.491 2.779 5.763 1.00 5.33 O ATOM 694 CB VAL A 44 4.593 0.049 4.118 1.00 14.01 C ATOM 695 CG1 VAL A 44 4.181 1.209 3.226 1.00 14.11 C ATOM 696 CG2 VAL A 44 5.023 -1.129 3.257 1.00 4.35 C ATOM 0 H VAL A 44 5.606 -1.500 5.819 1.00 30.44 H new ATOM 0 HA VAL A 44 6.594 0.779 4.532 1.00 3.53 H new ATOM 0 HB VAL A 44 3.736 -0.253 4.720 1.00 14.01 H new ATOM 0 HG11 VAL A 44 3.395 0.883 2.545 1.00 14.11 H new ATOM 0 HG12 VAL A 44 3.811 2.028 3.842 1.00 14.11 H new ATOM 0 HG13 VAL A 44 5.042 1.549 2.650 1.00 14.11 H new ATOM 0 HG21 VAL A 44 4.215 -1.396 2.576 1.00 4.35 H new ATOM 0 HG22 VAL A 44 5.907 -0.855 2.681 1.00 4.35 H new ATOM 0 HG23 VAL A 44 5.256 -1.981 3.896 1.00 4.35 H new ATOM 706 N ASP A 45 4.502 1.211 7.032 1.00 43.01 N ATOM 707 CA ASP A 45 3.937 2.072 8.079 1.00 53.50 C ATOM 708 C ASP A 45 4.981 2.984 8.648 1.00 22.32 C ATOM 709 O ASP A 45 4.798 4.201 8.690 1.00 43.45 O ATOM 710 CB ASP A 45 3.376 1.167 9.187 1.00 3.13 C ATOM 711 CG ASP A 45 2.922 1.866 10.448 1.00 72.44 C ATOM 712 OD1 ASP A 45 3.757 2.094 11.350 1.00 45.14 O ATOM 713 OD2 ASP A 45 1.716 2.104 10.595 1.00 31.33 O ATOM 0 H ASP A 45 4.287 0.226 7.183 1.00 43.01 H new ATOM 0 HA ASP A 45 3.150 2.694 7.653 1.00 53.50 H new ATOM 0 HB2 ASP A 45 2.532 0.609 8.781 1.00 3.13 H new ATOM 0 HB3 ASP A 45 4.141 0.438 9.455 1.00 3.13 H new ATOM 718 N ARG A 46 6.099 2.402 9.019 1.00 64.14 N ATOM 719 CA ARG A 46 7.163 3.153 9.633 1.00 73.32 C ATOM 720 C ARG A 46 7.740 4.109 8.607 1.00 21.21 C ATOM 721 O ARG A 46 8.043 5.242 8.920 1.00 2.23 O ATOM 722 CB ARG A 46 8.241 2.204 10.215 1.00 4.30 C ATOM 723 CG ARG A 46 9.262 2.837 11.189 1.00 2.22 C ATOM 724 CD ARG A 46 10.308 3.723 10.512 1.00 44.32 C ATOM 725 NE ARG A 46 11.209 4.342 11.495 1.00 22.21 N ATOM 726 CZ ARG A 46 12.203 5.200 11.214 1.00 24.31 C ATOM 727 NH1 ARG A 46 12.480 5.517 9.962 1.00 12.43 N ATOM 728 NH2 ARG A 46 12.921 5.730 12.199 1.00 55.33 N ATOM 0 H ARG A 46 6.292 1.407 8.904 1.00 64.14 H new ATOM 0 HA ARG A 46 6.775 3.733 10.470 1.00 73.32 H new ATOM 0 HB2 ARG A 46 7.735 1.389 10.733 1.00 4.30 H new ATOM 0 HB3 ARG A 46 8.791 1.761 9.384 1.00 4.30 H new ATOM 0 HG2 ARG A 46 8.723 3.430 11.928 1.00 2.22 H new ATOM 0 HG3 ARG A 46 9.772 2.041 11.731 1.00 2.22 H new ATOM 0 HD2 ARG A 46 10.890 3.128 9.808 1.00 44.32 H new ATOM 0 HD3 ARG A 46 9.808 4.501 9.935 1.00 44.32 H new ATOM 0 HE ARG A 46 11.067 4.099 12.475 1.00 22.21 H new ATOM 0 HH11 ARG A 46 11.937 5.109 9.201 1.00 12.43 H new ATOM 0 HH12 ARG A 46 13.237 6.170 9.757 1.00 12.43 H new ATOM 0 HH21 ARG A 46 12.717 5.485 13.168 1.00 55.33 H new ATOM 0 HH22 ARG A 46 13.676 6.382 11.986 1.00 55.33 H new ATOM 742 N VAL A 47 7.835 3.649 7.376 1.00 2.22 N ATOM 743 CA VAL A 47 8.351 4.467 6.291 1.00 72.23 C ATOM 744 C VAL A 47 7.459 5.692 6.065 1.00 23.32 C ATOM 745 O VAL A 47 7.948 6.813 5.971 1.00 35.13 O ATOM 746 CB VAL A 47 8.509 3.664 4.961 1.00 34.52 C ATOM 747 CG1 VAL A 47 9.074 4.544 3.847 1.00 63.11 C ATOM 748 CG2 VAL A 47 9.396 2.447 5.167 1.00 23.04 C ATOM 0 H VAL A 47 7.560 2.707 7.098 1.00 2.22 H new ATOM 0 HA VAL A 47 9.345 4.797 6.592 1.00 72.23 H new ATOM 0 HB VAL A 47 7.517 3.327 4.660 1.00 34.52 H new ATOM 0 HG11 VAL A 47 9.172 3.957 2.934 1.00 63.11 H new ATOM 0 HG12 VAL A 47 8.400 5.382 3.668 1.00 63.11 H new ATOM 0 HG13 VAL A 47 10.053 4.922 4.143 1.00 63.11 H new ATOM 0 HG21 VAL A 47 9.492 1.903 4.227 1.00 23.04 H new ATOM 0 HG22 VAL A 47 10.382 2.768 5.502 1.00 23.04 H new ATOM 0 HG23 VAL A 47 8.951 1.796 5.919 1.00 23.04 H new ATOM 758 N ILE A 48 6.160 5.484 6.043 1.00 73.22 N ATOM 759 CA ILE A 48 5.220 6.564 5.798 1.00 23.13 C ATOM 760 C ILE A 48 5.197 7.526 6.979 1.00 51.53 C ATOM 761 O ILE A 48 5.151 8.731 6.804 1.00 23.32 O ATOM 762 CB ILE A 48 3.786 6.017 5.528 1.00 63.32 C ATOM 763 CG1 ILE A 48 3.788 4.996 4.387 1.00 70.51 C ATOM 764 CG2 ILE A 48 2.840 7.149 5.184 1.00 34.41 C ATOM 765 CD1 ILE A 48 2.441 4.327 4.167 1.00 32.31 C ATOM 0 H ILE A 48 5.726 4.573 6.192 1.00 73.22 H new ATOM 0 HA ILE A 48 5.553 7.099 4.908 1.00 23.13 H new ATOM 0 HB ILE A 48 3.447 5.525 6.440 1.00 63.32 H new ATOM 0 HG12 ILE A 48 4.092 5.493 3.466 1.00 70.51 H new ATOM 0 HG13 ILE A 48 4.535 4.230 4.597 1.00 70.51 H new ATOM 0 HG21 ILE A 48 1.844 6.747 4.999 1.00 34.41 H new ATOM 0 HG22 ILE A 48 2.798 7.854 6.015 1.00 34.41 H new ATOM 0 HG23 ILE A 48 3.196 7.662 4.291 1.00 34.41 H new ATOM 0 HD11 ILE A 48 2.518 3.617 3.344 1.00 32.31 H new ATOM 0 HD12 ILE A 48 2.144 3.801 5.074 1.00 32.31 H new ATOM 0 HD13 ILE A 48 1.694 5.083 3.925 1.00 32.31 H new ATOM 777 N LYS A 49 5.287 6.992 8.153 1.00 4.12 N ATOM 778 CA LYS A 49 5.217 7.785 9.347 1.00 71.20 C ATOM 779 C LYS A 49 6.562 8.494 9.662 1.00 74.44 C ATOM 780 O LYS A 49 6.621 9.419 10.467 1.00 41.12 O ATOM 781 CB LYS A 49 4.683 6.913 10.496 1.00 21.30 C ATOM 782 CG LYS A 49 4.558 7.600 11.828 1.00 45.03 C ATOM 783 CD LYS A 49 3.698 6.808 12.777 1.00 73.41 C ATOM 784 CE LYS A 49 3.760 7.390 14.165 1.00 61.42 C ATOM 785 NZ LYS A 49 2.785 6.775 15.063 1.00 11.24 N ATOM 0 H LYS A 49 5.411 5.993 8.317 1.00 4.12 H new ATOM 0 HA LYS A 49 4.514 8.605 9.201 1.00 71.20 H new ATOM 0 HB2 LYS A 49 3.703 6.529 10.212 1.00 21.30 H new ATOM 0 HB3 LYS A 49 5.342 6.052 10.612 1.00 21.30 H new ATOM 0 HG2 LYS A 49 5.548 7.739 12.262 1.00 45.03 H new ATOM 0 HG3 LYS A 49 4.129 8.592 11.688 1.00 45.03 H new ATOM 0 HD2 LYS A 49 2.667 6.805 12.424 1.00 73.41 H new ATOM 0 HD3 LYS A 49 4.031 5.770 12.797 1.00 73.41 H new ATOM 0 HE2 LYS A 49 4.762 7.253 14.571 1.00 61.42 H new ATOM 0 HE3 LYS A 49 3.580 8.464 14.116 1.00 61.42 H new ATOM 0 HZ1 LYS A 49 2.862 7.205 16.007 1.00 11.24 H new ATOM 0 HZ2 LYS A 49 1.826 6.927 14.691 1.00 11.24 H new ATOM 0 HZ3 LYS A 49 2.972 5.754 15.132 1.00 11.24 H new ATOM 799 N ALA A 50 7.623 8.074 9.015 1.00 21.22 N ATOM 800 CA ALA A 50 8.903 8.700 9.214 1.00 43.31 C ATOM 801 C ALA A 50 9.254 9.655 8.080 1.00 43.31 C ATOM 802 O ALA A 50 9.811 10.730 8.315 1.00 2.31 O ATOM 803 CB ALA A 50 9.994 7.668 9.386 1.00 65.31 C ATOM 0 H ALA A 50 7.623 7.302 8.348 1.00 21.22 H new ATOM 0 HA ALA A 50 8.829 9.285 10.131 1.00 43.31 H new ATOM 0 HB1 ALA A 50 10.950 8.170 9.535 1.00 65.31 H new ATOM 0 HB2 ALA A 50 9.773 7.046 10.253 1.00 65.31 H new ATOM 0 HB3 ALA A 50 10.047 7.043 8.495 1.00 65.31 H new ATOM 809 N SER A 51 8.915 9.279 6.855 1.00 35.52 N ATOM 810 CA SER A 51 9.271 10.070 5.710 1.00 35.32 C ATOM 811 C SER A 51 8.236 11.173 5.482 1.00 35.44 C ATOM 812 O SER A 51 8.471 12.144 4.749 1.00 34.04 O ATOM 813 CB SER A 51 9.431 9.150 4.476 1.00 70.14 C ATOM 814 OG SER A 51 9.931 9.842 3.335 1.00 40.13 O ATOM 0 H SER A 51 8.394 8.429 6.640 1.00 35.52 H new ATOM 0 HA SER A 51 10.227 10.564 5.884 1.00 35.32 H new ATOM 0 HB2 SER A 51 10.106 8.331 4.724 1.00 70.14 H new ATOM 0 HB3 SER A 51 8.466 8.705 4.232 1.00 70.14 H new ATOM 0 HG SER A 51 9.210 9.958 2.681 1.00 40.13 H new ATOM 820 N PHE A 52 7.104 11.040 6.142 1.00 64.14 N ATOM 821 CA PHE A 52 6.002 11.938 5.988 1.00 62.44 C ATOM 822 C PHE A 52 5.391 12.146 7.349 1.00 54.52 C ATOM 823 O PHE A 52 5.899 11.643 8.341 1.00 13.12 O ATOM 824 CB PHE A 52 4.921 11.339 5.038 1.00 23.41 C ATOM 825 CG PHE A 52 5.424 10.910 3.686 1.00 65.12 C ATOM 826 CD1 PHE A 52 6.140 9.737 3.552 1.00 31.41 C ATOM 827 CD2 PHE A 52 5.202 11.678 2.568 1.00 11.23 C ATOM 828 CE1 PHE A 52 6.633 9.339 2.347 1.00 2.23 C ATOM 829 CE2 PHE A 52 5.691 11.283 1.341 1.00 11.03 C ATOM 830 CZ PHE A 52 6.414 10.112 1.229 1.00 51.04 C ATOM 0 H PHE A 52 6.931 10.288 6.810 1.00 64.14 H new ATOM 0 HA PHE A 52 6.354 12.875 5.557 1.00 62.44 H new ATOM 0 HB2 PHE A 52 4.466 10.479 5.528 1.00 23.41 H new ATOM 0 HB3 PHE A 52 4.134 12.079 4.897 1.00 23.41 H new ATOM 0 HD1 PHE A 52 6.313 9.122 4.422 1.00 31.41 H new ATOM 0 HD2 PHE A 52 4.641 12.597 2.651 1.00 11.23 H new ATOM 0 HE1 PHE A 52 7.194 8.420 2.268 1.00 2.23 H new ATOM 0 HE2 PHE A 52 5.508 11.890 0.467 1.00 11.03 H new ATOM 0 HZ PHE A 52 6.805 9.804 0.270 1.00 51.04 H new ATOM 840 N ASN A 53 4.322 12.865 7.385 1.00 63.41 N ATOM 841 CA ASN A 53 3.575 13.075 8.585 1.00 54.43 C ATOM 842 C ASN A 53 2.331 12.252 8.435 1.00 32.20 C ATOM 843 O ASN A 53 1.411 12.640 7.698 1.00 41.14 O ATOM 844 CB ASN A 53 3.202 14.559 8.766 1.00 52.32 C ATOM 845 CG ASN A 53 2.435 14.849 10.065 1.00 12.20 C ATOM 846 OD1 ASN A 53 1.118 14.735 10.033 1.00 10.11 O flip ATOM 847 ND2 ASN A 53 3.034 15.180 11.092 1.00 3.32 N flip ATOM 0 H ASN A 53 3.932 13.334 6.567 1.00 63.41 H new ATOM 0 HA ASN A 53 4.159 12.791 9.460 1.00 54.43 H new ATOM 0 HB2 ASN A 53 4.113 15.158 8.751 1.00 52.32 H new ATOM 0 HB3 ASN A 53 2.596 14.878 7.918 1.00 52.32 H new ATOM 0 HD21 ASN A 53 4.051 15.260 11.086 1.00 3.32 H new ATOM 0 HD22 ASN A 53 2.512 15.374 11.947 1.00 3.32 H new ATOM 854 N ALA A 54 2.310 11.108 9.042 1.00 53.53 N ATOM 855 CA ALA A 54 1.215 10.224 8.876 1.00 51.34 C ATOM 856 C ALA A 54 0.676 9.748 10.189 1.00 12.30 C ATOM 857 O ALA A 54 1.426 9.394 11.093 1.00 1.22 O ATOM 858 CB ALA A 54 1.609 9.042 8.019 1.00 74.25 C ATOM 0 H ALA A 54 3.047 10.768 9.660 1.00 53.53 H new ATOM 0 HA ALA A 54 0.425 10.782 8.374 1.00 51.34 H new ATOM 0 HB1 ALA A 54 0.754 8.375 7.904 1.00 74.25 H new ATOM 0 HB2 ALA A 54 1.929 9.394 7.039 1.00 74.25 H new ATOM 0 HB3 ALA A 54 2.428 8.503 8.496 1.00 74.25 H new ATOM 864 N SER A 55 -0.603 9.748 10.277 1.00 54.51 N ATOM 865 CA SER A 55 -1.311 9.243 11.395 1.00 71.03 C ATOM 866 C SER A 55 -2.147 8.065 10.920 1.00 41.50 C ATOM 867 O SER A 55 -2.876 8.175 9.928 1.00 63.42 O ATOM 868 CB SER A 55 -2.176 10.364 11.950 1.00 63.14 C ATOM 869 OG SER A 55 -2.810 11.061 10.883 1.00 65.03 O ATOM 0 H SER A 55 -1.210 10.114 9.543 1.00 54.51 H new ATOM 0 HA SER A 55 -0.646 8.900 12.187 1.00 71.03 H new ATOM 0 HB2 SER A 55 -2.927 9.955 12.626 1.00 63.14 H new ATOM 0 HB3 SER A 55 -1.564 11.053 12.533 1.00 63.14 H new ATOM 0 HG SER A 55 -3.367 11.781 11.247 1.00 65.03 H new ATOM 875 N VAL A 56 -2.031 6.947 11.565 1.00 4.41 N ATOM 876 CA VAL A 56 -2.739 5.791 11.115 1.00 23.34 C ATOM 877 C VAL A 56 -3.998 5.539 11.944 1.00 72.22 C ATOM 878 O VAL A 56 -3.938 5.362 13.160 1.00 51.15 O ATOM 879 CB VAL A 56 -1.834 4.509 11.075 1.00 45.32 C ATOM 880 CG1 VAL A 56 -1.150 4.231 12.409 1.00 53.31 C ATOM 881 CG2 VAL A 56 -2.632 3.289 10.619 1.00 40.32 C ATOM 0 H VAL A 56 -1.458 6.810 12.398 1.00 4.41 H new ATOM 0 HA VAL A 56 -3.045 6.003 10.091 1.00 23.34 H new ATOM 0 HB VAL A 56 -1.047 4.708 10.347 1.00 45.32 H new ATOM 0 HG11 VAL A 56 -0.537 3.334 12.324 1.00 53.31 H new ATOM 0 HG12 VAL A 56 -0.518 5.078 12.677 1.00 53.31 H new ATOM 0 HG13 VAL A 56 -1.905 4.083 13.181 1.00 53.31 H new ATOM 0 HG21 VAL A 56 -1.981 2.415 10.600 1.00 40.32 H new ATOM 0 HG22 VAL A 56 -3.456 3.113 11.311 1.00 40.32 H new ATOM 0 HG23 VAL A 56 -3.030 3.467 9.620 1.00 40.32 H new ATOM 891 N GLU A 57 -5.128 5.566 11.304 1.00 24.12 N ATOM 892 CA GLU A 57 -6.346 5.161 11.950 1.00 35.24 C ATOM 893 C GLU A 57 -6.553 3.716 11.568 1.00 22.11 C ATOM 894 O GLU A 57 -6.809 3.412 10.406 1.00 22.42 O ATOM 895 CB GLU A 57 -7.559 5.984 11.481 1.00 33.25 C ATOM 896 CG GLU A 57 -7.526 7.471 11.796 1.00 12.12 C ATOM 897 CD GLU A 57 -8.814 8.147 11.371 1.00 70.01 C ATOM 898 OE1 GLU A 57 -9.823 8.061 12.105 1.00 1.45 O ATOM 899 OE2 GLU A 57 -8.874 8.741 10.284 1.00 34.35 O ATOM 0 H GLU A 57 -5.235 5.864 10.334 1.00 24.12 H new ATOM 0 HA GLU A 57 -6.263 5.312 13.026 1.00 35.24 H new ATOM 0 HB2 GLU A 57 -7.657 5.865 10.402 1.00 33.25 H new ATOM 0 HB3 GLU A 57 -8.456 5.559 11.931 1.00 33.25 H new ATOM 0 HG2 GLU A 57 -7.371 7.616 12.865 1.00 12.12 H new ATOM 0 HG3 GLU A 57 -6.682 7.935 11.286 1.00 12.12 H new ATOM 906 N GLU A 58 -6.426 2.829 12.493 1.00 12.10 N ATOM 907 CA GLU A 58 -6.550 1.441 12.168 1.00 4.04 C ATOM 908 C GLU A 58 -7.886 0.870 12.588 1.00 30.04 C ATOM 909 O GLU A 58 -8.191 0.716 13.781 1.00 23.43 O ATOM 910 CB GLU A 58 -5.312 0.628 12.603 1.00 45.40 C ATOM 911 CG GLU A 58 -4.868 0.824 14.043 1.00 40.34 C ATOM 912 CD GLU A 58 -3.497 0.235 14.297 1.00 73.52 C ATOM 913 OE1 GLU A 58 -3.391 -0.967 14.594 1.00 35.43 O ATOM 914 OE2 GLU A 58 -2.491 0.973 14.183 1.00 62.40 O ATOM 0 H GLU A 58 -6.238 3.032 13.475 1.00 12.10 H new ATOM 0 HA GLU A 58 -6.557 1.350 11.082 1.00 4.04 H new ATOM 0 HB2 GLU A 58 -5.522 -0.430 12.448 1.00 45.40 H new ATOM 0 HB3 GLU A 58 -4.481 0.888 11.947 1.00 45.40 H new ATOM 0 HG2 GLU A 58 -4.855 1.889 14.277 1.00 40.34 H new ATOM 0 HG3 GLU A 58 -5.592 0.360 14.712 1.00 40.34 H new ATOM 921 N LEU A 59 -8.685 0.607 11.591 1.00 34.20 N ATOM 922 CA LEU A 59 -10.023 0.108 11.729 1.00 13.32 C ATOM 923 C LEU A 59 -10.087 -1.316 11.207 1.00 22.21 C ATOM 924 O LEU A 59 -9.089 -1.871 10.706 1.00 63.20 O ATOM 925 CB LEU A 59 -11.060 0.981 10.955 1.00 43.41 C ATOM 926 CG LEU A 59 -11.342 2.423 11.454 1.00 71.11 C ATOM 927 CD1 LEU A 59 -10.173 3.358 11.211 1.00 74.12 C ATOM 928 CD2 LEU A 59 -12.600 2.973 10.805 1.00 62.13 C ATOM 0 H LEU A 59 -8.408 0.741 10.618 1.00 34.20 H new ATOM 0 HA LEU A 59 -10.279 0.143 12.788 1.00 13.32 H new ATOM 0 HB2 LEU A 59 -10.727 1.049 9.919 1.00 43.41 H new ATOM 0 HB3 LEU A 59 -12.007 0.442 10.950 1.00 43.41 H new ATOM 0 HG LEU A 59 -11.489 2.364 12.532 1.00 71.11 H new ATOM 0 HD11 LEU A 59 -10.421 4.354 11.578 1.00 74.12 H new ATOM 0 HD12 LEU A 59 -9.294 2.986 11.737 1.00 74.12 H new ATOM 0 HD13 LEU A 59 -9.962 3.407 10.143 1.00 74.12 H new ATOM 0 HD21 LEU A 59 -12.783 3.985 11.166 1.00 62.13 H new ATOM 0 HD22 LEU A 59 -12.473 2.991 9.723 1.00 62.13 H new ATOM 0 HD23 LEU A 59 -13.448 2.338 11.060 1.00 62.13 H new ATOM 940 N GLU A 60 -11.229 -1.898 11.320 1.00 53.32 N ATOM 941 CA GLU A 60 -11.468 -3.211 10.838 1.00 63.45 C ATOM 942 C GLU A 60 -12.055 -3.110 9.439 1.00 34.53 C ATOM 943 O GLU A 60 -12.530 -2.045 9.030 1.00 41.00 O ATOM 944 CB GLU A 60 -12.403 -4.023 11.787 1.00 1.04 C ATOM 945 CG GLU A 60 -13.814 -3.443 12.026 1.00 54.11 C ATOM 946 CD GLU A 60 -13.827 -2.155 12.828 1.00 3.22 C ATOM 947 OE1 GLU A 60 -13.613 -1.076 12.254 1.00 21.14 O ATOM 948 OE2 GLU A 60 -14.040 -2.197 14.050 1.00 14.32 O ATOM 0 H GLU A 60 -12.040 -1.464 11.760 1.00 53.32 H new ATOM 0 HA GLU A 60 -10.524 -3.755 10.806 1.00 63.45 H new ATOM 0 HB2 GLU A 60 -12.512 -5.028 11.380 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -11.907 -4.122 12.752 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.289 -3.263 11.062 1.00 54.11 H new ATOM 0 HG3 GLU A 60 -14.418 -4.187 12.545 1.00 54.11 H new ATOM 955 N GLY A 61 -11.997 -4.173 8.720 1.00 43.31 N ATOM 956 CA GLY A 61 -12.528 -4.196 7.391 1.00 54.15 C ATOM 957 C GLY A 61 -13.849 -4.909 7.369 1.00 31.22 C ATOM 958 O GLY A 61 -14.289 -5.415 8.414 1.00 13.14 O ATOM 0 H GLY A 61 -11.583 -5.053 9.028 1.00 43.31 H new ATOM 0 HA2 GLY A 61 -12.651 -3.177 7.024 1.00 54.15 H new ATOM 0 HA3 GLY A 61 -11.827 -4.694 6.721 1.00 54.15 H new ATOM 962 N GLU A 62 -14.492 -4.945 6.214 1.00 54.34 N ATOM 963 CA GLU A 62 -15.748 -5.665 6.043 1.00 51.24 C ATOM 964 C GLU A 62 -15.523 -7.165 6.225 1.00 61.04 C ATOM 965 O GLU A 62 -14.420 -7.598 6.477 1.00 60.50 O ATOM 966 CB GLU A 62 -16.330 -5.409 4.642 1.00 73.12 C ATOM 967 CG GLU A 62 -15.423 -5.841 3.516 1.00 72.23 C ATOM 968 CD GLU A 62 -16.085 -5.777 2.173 1.00 1.32 C ATOM 969 OE1 GLU A 62 -16.113 -4.691 1.558 1.00 30.23 O ATOM 970 OE2 GLU A 62 -16.539 -6.825 1.689 1.00 60.24 O ATOM 0 H GLU A 62 -14.161 -4.478 5.369 1.00 54.34 H new ATOM 0 HA GLU A 62 -16.451 -5.306 6.795 1.00 51.24 H new ATOM 0 HB2 GLU A 62 -17.280 -5.935 4.552 1.00 73.12 H new ATOM 0 HB3 GLU A 62 -16.543 -4.345 4.536 1.00 73.12 H new ATOM 0 HG2 GLU A 62 -14.536 -5.208 3.508 1.00 72.23 H new ATOM 0 HG3 GLU A 62 -15.085 -6.861 3.700 1.00 72.23 H new ATOM 977 N ASP A 63 -16.571 -7.935 6.087 1.00 15.32 N ATOM 978 CA ASP A 63 -16.510 -9.404 6.193 1.00 24.32 C ATOM 979 C ASP A 63 -15.436 -10.033 5.294 1.00 74.40 C ATOM 980 O ASP A 63 -14.863 -11.070 5.616 1.00 52.24 O ATOM 981 CB ASP A 63 -17.849 -10.055 5.860 1.00 34.54 C ATOM 982 CG ASP A 63 -18.941 -9.813 6.878 1.00 31.43 C ATOM 983 OD1 ASP A 63 -19.051 -10.596 7.842 1.00 55.11 O ATOM 984 OD2 ASP A 63 -19.731 -8.851 6.717 1.00 52.31 O ATOM 0 H ASP A 63 -17.506 -7.576 5.896 1.00 15.32 H new ATOM 0 HA ASP A 63 -16.249 -9.594 7.234 1.00 24.32 H new ATOM 0 HB2 ASP A 63 -18.186 -9.686 4.891 1.00 34.54 H new ATOM 0 HB3 ASP A 63 -17.699 -11.130 5.757 1.00 34.54 H new ATOM 989 N CYS A 64 -15.199 -9.411 4.176 1.00 73.42 N ATOM 990 CA CYS A 64 -14.235 -9.878 3.202 1.00 74.23 C ATOM 991 C CYS A 64 -12.811 -9.332 3.504 1.00 1.25 C ATOM 992 O CYS A 64 -11.797 -9.865 3.020 1.00 34.12 O ATOM 993 CB CYS A 64 -14.725 -9.479 1.799 1.00 22.55 C ATOM 994 SG CYS A 64 -13.666 -9.961 0.404 1.00 2.14 S ATOM 0 H CYS A 64 -15.674 -8.550 3.904 1.00 73.42 H new ATOM 0 HA CYS A 64 -14.155 -10.964 3.254 1.00 74.23 H new ATOM 0 HB2 CYS A 64 -15.712 -9.916 1.645 1.00 22.55 H new ATOM 0 HB3 CYS A 64 -14.848 -8.396 1.776 1.00 22.55 H new ATOM 999 N ASP A 65 -12.736 -8.317 4.349 1.00 43.33 N ATOM 1000 CA ASP A 65 -11.481 -7.699 4.709 1.00 65.22 C ATOM 1001 C ASP A 65 -11.086 -8.104 6.093 1.00 14.33 C ATOM 1002 O ASP A 65 -11.917 -8.514 6.898 1.00 51.40 O ATOM 1003 CB ASP A 65 -11.501 -6.163 4.607 1.00 71.42 C ATOM 1004 CG ASP A 65 -11.459 -5.610 3.196 1.00 73.33 C ATOM 1005 OD1 ASP A 65 -10.385 -5.562 2.599 1.00 25.14 O ATOM 1006 OD2 ASP A 65 -12.508 -5.163 2.664 1.00 10.02 O ATOM 0 H ASP A 65 -13.549 -7.901 4.803 1.00 43.33 H new ATOM 0 HA ASP A 65 -10.748 -8.054 3.985 1.00 65.22 H new ATOM 0 HB2 ASP A 65 -12.401 -5.794 5.098 1.00 71.42 H new ATOM 0 HB3 ASP A 65 -10.650 -5.767 5.161 1.00 71.42 H new ATOM 1011 N VAL A 66 -9.833 -8.029 6.379 1.00 34.23 N ATOM 1012 CA VAL A 66 -9.362 -8.386 7.686 1.00 34.01 C ATOM 1013 C VAL A 66 -8.841 -7.179 8.449 1.00 63.05 C ATOM 1014 O VAL A 66 -9.007 -7.081 9.664 1.00 74.30 O ATOM 1015 CB VAL A 66 -8.330 -9.559 7.643 1.00 54.14 C ATOM 1016 CG1 VAL A 66 -7.798 -9.899 9.029 1.00 74.34 C ATOM 1017 CG2 VAL A 66 -8.976 -10.794 7.029 1.00 74.53 C ATOM 0 H VAL A 66 -9.109 -7.724 5.729 1.00 34.23 H new ATOM 0 HA VAL A 66 -10.222 -8.759 8.243 1.00 34.01 H new ATOM 0 HB VAL A 66 -7.488 -9.234 7.031 1.00 54.14 H new ATOM 0 HG11 VAL A 66 -7.084 -10.719 8.954 1.00 74.34 H new ATOM 0 HG12 VAL A 66 -7.303 -9.025 9.453 1.00 74.34 H new ATOM 0 HG13 VAL A 66 -8.625 -10.196 9.673 1.00 74.34 H new ATOM 0 HG21 VAL A 66 -8.252 -11.608 7.002 1.00 74.53 H new ATOM 0 HG22 VAL A 66 -9.835 -11.092 7.630 1.00 74.53 H new ATOM 0 HG23 VAL A 66 -9.305 -10.567 6.015 1.00 74.53 H new ATOM 1027 N LEU A 67 -8.293 -6.235 7.749 1.00 3.02 N ATOM 1028 CA LEU A 67 -7.703 -5.071 8.419 1.00 42.14 C ATOM 1029 C LEU A 67 -7.782 -3.875 7.520 1.00 53.01 C ATOM 1030 O LEU A 67 -7.591 -4.011 6.330 1.00 12.31 O ATOM 1031 CB LEU A 67 -6.238 -5.354 8.813 1.00 0.24 C ATOM 1032 CG LEU A 67 -5.505 -4.247 9.590 1.00 1.21 C ATOM 1033 CD1 LEU A 67 -6.173 -3.978 10.935 1.00 21.33 C ATOM 1034 CD2 LEU A 67 -4.041 -4.616 9.787 1.00 25.44 C ATOM 0 H LEU A 67 -8.232 -6.227 6.731 1.00 3.02 H new ATOM 0 HA LEU A 67 -8.265 -4.868 9.330 1.00 42.14 H new ATOM 0 HB2 LEU A 67 -6.217 -6.263 9.414 1.00 0.24 H new ATOM 0 HB3 LEU A 67 -5.675 -5.561 7.903 1.00 0.24 H new ATOM 0 HG LEU A 67 -5.560 -3.332 9.001 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -5.631 -3.191 11.459 1.00 21.33 H new ATOM 0 HD12 LEU A 67 -7.204 -3.663 10.773 1.00 21.33 H new ATOM 0 HD13 LEU A 67 -6.162 -4.888 11.535 1.00 21.33 H new ATOM 0 HD21 LEU A 67 -3.537 -3.822 10.338 1.00 25.44 H new ATOM 0 HD22 LEU A 67 -3.973 -5.548 10.349 1.00 25.44 H new ATOM 0 HD23 LEU A 67 -3.564 -4.742 8.815 1.00 25.44 H new ATOM 1046 N TYR A 68 -8.111 -2.732 8.070 1.00 34.35 N ATOM 1047 CA TYR A 68 -8.232 -1.519 7.299 1.00 31.24 C ATOM 1048 C TYR A 68 -7.451 -0.388 7.998 1.00 73.33 C ATOM 1049 O TYR A 68 -7.894 0.149 9.006 1.00 51.22 O ATOM 1050 CB TYR A 68 -9.715 -1.184 7.216 1.00 12.53 C ATOM 1051 CG TYR A 68 -10.151 -0.102 6.248 1.00 14.45 C ATOM 1052 CD1 TYR A 68 -9.554 1.155 6.207 1.00 5.51 C ATOM 1053 CD2 TYR A 68 -11.206 -0.348 5.398 1.00 20.33 C ATOM 1054 CE1 TYR A 68 -10.001 2.124 5.340 1.00 23.33 C ATOM 1055 CE2 TYR A 68 -11.674 0.613 4.540 1.00 64.11 C ATOM 1056 CZ TYR A 68 -11.071 1.847 4.506 1.00 3.22 C ATOM 1057 OH TYR A 68 -11.560 2.817 3.666 1.00 51.53 O ATOM 0 H TYR A 68 -8.303 -2.616 9.065 1.00 34.35 H new ATOM 0 HA TYR A 68 -7.820 -1.640 6.297 1.00 31.24 H new ATOM 0 HB2 TYR A 68 -10.249 -2.098 6.956 1.00 12.53 H new ATOM 0 HB3 TYR A 68 -10.047 -0.893 8.213 1.00 12.53 H new ATOM 0 HD1 TYR A 68 -8.727 1.372 6.867 1.00 5.51 H new ATOM 0 HD2 TYR A 68 -11.676 -1.321 5.408 1.00 20.33 H new ATOM 0 HE1 TYR A 68 -9.522 3.092 5.310 1.00 23.33 H new ATOM 0 HE2 TYR A 68 -12.513 0.401 3.894 1.00 64.11 H new ATOM 0 HH TYR A 68 -12.310 2.455 3.150 1.00 51.53 H new ATOM 1067 N ARG A 69 -6.309 -0.041 7.494 1.00 5.44 N ATOM 1068 CA ARG A 69 -5.533 1.021 8.085 1.00 33.13 C ATOM 1069 C ARG A 69 -5.660 2.250 7.213 1.00 55.21 C ATOM 1070 O ARG A 69 -5.277 2.236 6.047 1.00 45.04 O ATOM 1071 CB ARG A 69 -4.047 0.646 8.233 1.00 63.21 C ATOM 1072 CG ARG A 69 -3.806 -0.769 8.707 1.00 63.11 C ATOM 1073 CD ARG A 69 -2.369 -1.000 9.170 1.00 72.32 C ATOM 1074 NE ARG A 69 -2.095 -0.372 10.478 1.00 41.41 N ATOM 1075 CZ ARG A 69 -0.874 -0.209 11.023 1.00 21.44 C ATOM 1076 NH1 ARG A 69 0.218 -0.593 10.365 1.00 35.35 N ATOM 1077 NH2 ARG A 69 -0.758 0.313 12.233 1.00 54.41 N ATOM 0 H ARG A 69 -5.886 -0.474 6.673 1.00 5.44 H new ATOM 0 HA ARG A 69 -5.919 1.209 9.087 1.00 33.13 H new ATOM 0 HB2 ARG A 69 -3.552 0.784 7.272 1.00 63.21 H new ATOM 0 HB3 ARG A 69 -3.578 1.336 8.934 1.00 63.21 H new ATOM 0 HG2 ARG A 69 -4.488 -0.994 9.527 1.00 63.11 H new ATOM 0 HG3 ARG A 69 -4.039 -1.463 7.899 1.00 63.11 H new ATOM 0 HD2 ARG A 69 -2.179 -2.071 9.237 1.00 72.32 H new ATOM 0 HD3 ARG A 69 -1.681 -0.600 8.426 1.00 72.32 H new ATOM 0 HE ARG A 69 -2.895 -0.034 11.012 1.00 41.41 H new ATOM 0 HH11 ARG A 69 0.134 -1.015 9.440 1.00 35.35 H new ATOM 0 HH12 ARG A 69 1.138 -0.465 10.786 1.00 35.35 H new ATOM 0 HH21 ARG A 69 -1.592 0.591 12.751 1.00 54.41 H new ATOM 0 HH22 ARG A 69 0.165 0.438 12.648 1.00 54.41 H new ATOM 1091 N LYS A 70 -6.226 3.275 7.752 1.00 61.13 N ATOM 1092 CA LYS A 70 -6.380 4.513 7.053 1.00 54.23 C ATOM 1093 C LYS A 70 -5.270 5.430 7.497 1.00 13.33 C ATOM 1094 O LYS A 70 -5.239 5.853 8.640 1.00 52.41 O ATOM 1095 CB LYS A 70 -7.697 5.180 7.423 1.00 1.21 C ATOM 1096 CG LYS A 70 -7.946 6.469 6.655 1.00 24.40 C ATOM 1097 CD LYS A 70 -8.809 7.449 7.428 1.00 75.23 C ATOM 1098 CE LYS A 70 -10.113 6.848 7.893 1.00 21.33 C ATOM 1099 NZ LYS A 70 -10.871 7.811 8.705 1.00 33.22 N ATOM 0 H LYS A 70 -6.600 3.281 8.701 1.00 61.13 H new ATOM 0 HA LYS A 70 -6.358 4.324 5.980 1.00 54.23 H new ATOM 0 HB2 LYS A 70 -8.516 4.486 7.232 1.00 1.21 H new ATOM 0 HB3 LYS A 70 -7.702 5.393 8.492 1.00 1.21 H new ATOM 0 HG2 LYS A 70 -6.991 6.938 6.420 1.00 24.40 H new ATOM 0 HG3 LYS A 70 -8.428 6.235 5.706 1.00 24.40 H new ATOM 0 HD2 LYS A 70 -8.253 7.810 8.293 1.00 75.23 H new ATOM 0 HD3 LYS A 70 -9.018 8.315 6.799 1.00 75.23 H new ATOM 0 HE2 LYS A 70 -10.707 6.545 7.031 1.00 21.33 H new ATOM 0 HE3 LYS A 70 -9.917 5.948 8.476 1.00 21.33 H new ATOM 0 HZ1 LYS A 70 -11.395 7.304 9.447 1.00 33.22 H new ATOM 0 HZ2 LYS A 70 -10.214 8.486 9.145 1.00 33.22 H new ATOM 0 HZ3 LYS A 70 -11.541 8.325 8.098 1.00 33.22 H new ATOM 1113 N TYR A 71 -4.371 5.693 6.648 1.00 0.12 N ATOM 1114 CA TYR A 71 -3.302 6.576 6.966 1.00 21.10 C ATOM 1115 C TYR A 71 -3.638 7.973 6.497 1.00 64.50 C ATOM 1116 O TYR A 71 -3.944 8.177 5.328 1.00 33.04 O ATOM 1117 CB TYR A 71 -2.021 6.109 6.312 1.00 23.10 C ATOM 1118 CG TYR A 71 -1.412 4.843 6.874 1.00 21.14 C ATOM 1119 CD1 TYR A 71 -1.816 3.573 6.444 1.00 61.05 C ATOM 1120 CD2 TYR A 71 -0.384 4.921 7.796 1.00 63.01 C ATOM 1121 CE1 TYR A 71 -1.216 2.440 6.931 1.00 1.44 C ATOM 1122 CE2 TYR A 71 0.232 3.783 8.277 1.00 31.14 C ATOM 1123 CZ TYR A 71 -0.193 2.547 7.837 1.00 54.35 C ATOM 1124 OH TYR A 71 0.402 1.417 8.309 1.00 61.54 O ATOM 0 H TYR A 71 -4.341 5.308 5.704 1.00 0.12 H new ATOM 0 HA TYR A 71 -3.160 6.582 8.047 1.00 21.10 H new ATOM 0 HB2 TYR A 71 -2.214 5.955 5.250 1.00 23.10 H new ATOM 0 HB3 TYR A 71 -1.284 6.909 6.390 1.00 23.10 H new ATOM 0 HD1 TYR A 71 -2.611 3.485 5.719 1.00 61.05 H new ATOM 0 HD2 TYR A 71 -0.057 5.889 8.146 1.00 63.01 H new ATOM 0 HE1 TYR A 71 -1.548 1.467 6.602 1.00 1.44 H new ATOM 0 HE2 TYR A 71 1.039 3.860 8.991 1.00 31.14 H new ATOM 0 HH TYR A 71 0.696 1.563 9.232 1.00 61.54 H new ATOM 1134 N THR A 72 -3.623 8.898 7.396 1.00 14.02 N ATOM 1135 CA THR A 72 -3.850 10.273 7.075 1.00 21.01 C ATOM 1136 C THR A 72 -2.479 10.928 6.861 1.00 3.43 C ATOM 1137 O THR A 72 -1.606 10.875 7.732 1.00 65.20 O ATOM 1138 CB THR A 72 -4.617 10.962 8.214 1.00 42.42 C ATOM 1139 OG1 THR A 72 -5.808 10.199 8.517 1.00 10.44 O ATOM 1140 CG2 THR A 72 -5.016 12.383 7.836 1.00 35.42 C ATOM 0 H THR A 72 -3.451 8.723 8.386 1.00 14.02 H new ATOM 0 HA THR A 72 -4.454 10.367 6.172 1.00 21.01 H new ATOM 0 HB THR A 72 -3.963 11.010 9.085 1.00 42.42 H new ATOM 0 HG1 THR A 72 -6.299 10.635 9.245 1.00 10.44 H new ATOM 0 HG21 THR A 72 -5.557 12.841 8.664 1.00 35.42 H new ATOM 0 HG22 THR A 72 -4.121 12.967 7.619 1.00 35.42 H new ATOM 0 HG23 THR A 72 -5.656 12.359 6.954 1.00 35.42 H new ATOM 1148 N LEU A 73 -2.292 11.487 5.702 1.00 61.31 N ATOM 1149 CA LEU A 73 -1.018 12.014 5.266 1.00 32.52 C ATOM 1150 C LEU A 73 -0.975 13.523 5.141 1.00 11.11 C ATOM 1151 O LEU A 73 -1.884 14.158 4.598 1.00 51.11 O ATOM 1152 CB LEU A 73 -0.620 11.416 3.905 1.00 12.40 C ATOM 1153 CG LEU A 73 0.209 10.130 3.889 1.00 23.15 C ATOM 1154 CD1 LEU A 73 1.558 10.376 4.519 1.00 13.21 C ATOM 1155 CD2 LEU A 73 -0.507 8.981 4.575 1.00 73.34 C ATOM 0 H LEU A 73 -3.035 11.595 5.012 1.00 61.31 H new ATOM 0 HA LEU A 73 -0.318 11.727 6.050 1.00 32.52 H new ATOM 0 HB2 LEU A 73 -1.536 11.227 3.345 1.00 12.40 H new ATOM 0 HB3 LEU A 73 -0.063 12.177 3.358 1.00 12.40 H new ATOM 0 HG LEU A 73 0.350 9.839 2.848 1.00 23.15 H new ATOM 0 HD11 LEU A 73 2.141 9.455 4.503 1.00 13.21 H new ATOM 0 HD12 LEU A 73 2.085 11.149 3.960 1.00 13.21 H new ATOM 0 HD13 LEU A 73 1.424 10.702 5.550 1.00 13.21 H new ATOM 0 HD21 LEU A 73 0.119 8.089 4.539 1.00 73.34 H new ATOM 0 HD22 LEU A 73 -0.705 9.244 5.614 1.00 73.34 H new ATOM 0 HD23 LEU A 73 -1.450 8.783 4.065 1.00 73.34 H new ATOM 1167 N GLU A 74 0.106 14.052 5.618 1.00 50.11 N ATOM 1168 CA GLU A 74 0.511 15.423 5.471 1.00 74.52 C ATOM 1169 C GLU A 74 1.971 15.384 5.073 1.00 72.20 C ATOM 1170 O GLU A 74 2.754 14.574 5.592 1.00 54.23 O ATOM 1171 CB GLU A 74 0.372 16.189 6.801 1.00 71.33 C ATOM 1172 CG GLU A 74 -1.039 16.609 7.199 1.00 33.54 C ATOM 1173 CD GLU A 74 -1.555 17.773 6.379 1.00 14.10 C ATOM 1174 OE1 GLU A 74 -0.927 18.860 6.405 1.00 64.13 O ATOM 1175 OE2 GLU A 74 -2.620 17.662 5.751 1.00 43.10 O ATOM 0 H GLU A 74 0.777 13.505 6.157 1.00 50.11 H new ATOM 0 HA GLU A 74 -0.111 15.930 4.733 1.00 74.52 H new ATOM 0 HB2 GLU A 74 0.780 15.567 7.597 1.00 71.33 H new ATOM 0 HB3 GLU A 74 0.992 17.084 6.746 1.00 71.33 H new ATOM 0 HG2 GLU A 74 -1.713 15.760 7.082 1.00 33.54 H new ATOM 0 HG3 GLU A 74 -1.049 16.881 8.255 1.00 33.54 H new ATOM 1182 N LYS A 75 2.310 16.166 4.132 1.00 34.54 N ATOM 1183 CA LYS A 75 3.673 16.311 3.689 1.00 71.51 C ATOM 1184 C LYS A 75 3.830 17.790 3.434 1.00 52.51 C ATOM 1185 O LYS A 75 2.829 18.484 3.520 1.00 63.11 O ATOM 1186 CB LYS A 75 3.904 15.521 2.383 1.00 34.33 C ATOM 1187 CG LYS A 75 5.360 15.423 1.970 1.00 25.33 C ATOM 1188 CD LYS A 75 5.534 14.879 0.577 1.00 22.41 C ATOM 1189 CE LYS A 75 7.004 14.811 0.228 1.00 52.15 C ATOM 1190 NZ LYS A 75 7.227 14.372 -1.144 1.00 30.32 N ATOM 0 H LYS A 75 1.646 16.748 3.621 1.00 34.54 H new ATOM 0 HA LYS A 75 4.388 15.931 4.419 1.00 71.51 H new ATOM 0 HB2 LYS A 75 3.503 14.515 2.504 1.00 34.33 H new ATOM 0 HB3 LYS A 75 3.340 15.995 1.579 1.00 34.33 H new ATOM 0 HG2 LYS A 75 5.817 16.411 2.030 1.00 25.33 H new ATOM 0 HG3 LYS A 75 5.891 14.783 2.675 1.00 25.33 H new ATOM 0 HD2 LYS A 75 5.089 13.886 0.507 1.00 22.41 H new ATOM 0 HD3 LYS A 75 5.011 15.514 -0.138 1.00 22.41 H new ATOM 0 HE2 LYS A 75 7.455 15.793 0.371 1.00 52.15 H new ATOM 0 HE3 LYS A 75 7.506 14.127 0.912 1.00 52.15 H new ATOM 0 HZ1 LYS A 75 8.141 13.880 -1.207 1.00 30.32 H new ATOM 0 HZ2 LYS A 75 6.465 13.725 -1.430 1.00 30.32 H new ATOM 0 HZ3 LYS A 75 7.235 15.198 -1.776 1.00 30.32 H new ATOM 1204 N GLU A 76 5.046 18.263 3.150 1.00 13.23 N ATOM 1205 CA GLU A 76 5.322 19.672 2.806 1.00 64.12 C ATOM 1206 C GLU A 76 4.341 20.239 1.749 1.00 74.14 C ATOM 1207 O GLU A 76 4.551 20.123 0.529 1.00 61.41 O ATOM 1208 CB GLU A 76 6.785 19.838 2.341 1.00 41.12 C ATOM 1209 CG GLU A 76 7.207 18.845 1.260 1.00 0.22 C ATOM 1210 CD GLU A 76 8.577 19.106 0.710 1.00 62.24 C ATOM 1211 OE1 GLU A 76 9.571 18.964 1.441 1.00 0.24 O ATOM 1212 OE2 GLU A 76 8.700 19.416 -0.486 1.00 64.22 O ATOM 0 H GLU A 76 5.881 17.677 3.151 1.00 13.23 H new ATOM 0 HA GLU A 76 5.168 20.254 3.714 1.00 64.12 H new ATOM 0 HB2 GLU A 76 6.923 20.851 1.964 1.00 41.12 H new ATOM 0 HB3 GLU A 76 7.444 19.725 3.202 1.00 41.12 H new ATOM 0 HG2 GLU A 76 7.176 17.836 1.672 1.00 0.22 H new ATOM 0 HG3 GLU A 76 6.484 18.879 0.445 1.00 0.22 H new ATOM 1219 N GLY A 77 3.234 20.756 2.234 1.00 61.24 N ATOM 1220 CA GLY A 77 2.247 21.360 1.391 1.00 3.45 C ATOM 1221 C GLY A 77 1.416 20.339 0.652 1.00 14.02 C ATOM 1222 O GLY A 77 0.787 20.658 -0.364 1.00 60.03 O ATOM 0 H GLY A 77 3.000 20.766 3.227 1.00 61.24 H new ATOM 0 HA2 GLY A 77 1.592 21.988 1.995 1.00 3.45 H new ATOM 0 HA3 GLY A 77 2.739 22.013 0.671 1.00 3.45 H new ATOM 1226 N LYS A 78 1.413 19.116 1.136 1.00 42.33 N ATOM 1227 CA LYS A 78 0.665 18.057 0.494 1.00 62.54 C ATOM 1228 C LYS A 78 -0.189 17.427 1.555 1.00 14.22 C ATOM 1229 O LYS A 78 0.151 17.506 2.749 1.00 20.40 O ATOM 1230 CB LYS A 78 1.570 16.961 -0.087 1.00 72.43 C ATOM 1231 CG LYS A 78 2.877 17.414 -0.735 1.00 4.03 C ATOM 1232 CD LYS A 78 2.677 18.294 -1.951 1.00 14.22 C ATOM 1233 CE LYS A 78 4.023 18.766 -2.467 1.00 74.31 C ATOM 1234 NZ LYS A 78 3.914 19.645 -3.639 1.00 31.43 N ATOM 0 H LYS A 78 1.921 18.830 1.973 1.00 42.33 H new ATOM 0 HA LYS A 78 0.093 18.485 -0.329 1.00 62.54 H new ATOM 0 HB2 LYS A 78 1.813 16.262 0.714 1.00 72.43 H new ATOM 0 HB3 LYS A 78 0.997 16.407 -0.831 1.00 72.43 H new ATOM 0 HG2 LYS A 78 3.470 17.956 0.002 1.00 4.03 H new ATOM 0 HG3 LYS A 78 3.454 16.535 -1.024 1.00 4.03 H new ATOM 0 HD2 LYS A 78 2.152 17.741 -2.730 1.00 14.22 H new ATOM 0 HD3 LYS A 78 2.055 19.151 -1.693 1.00 14.22 H new ATOM 0 HE2 LYS A 78 4.546 19.295 -1.670 1.00 74.31 H new ATOM 0 HE3 LYS A 78 4.631 17.899 -2.726 1.00 74.31 H new ATOM 0 HZ1 LYS A 78 4.865 19.935 -3.945 1.00 31.43 H new ATOM 0 HZ2 LYS A 78 3.441 19.135 -4.412 1.00 31.43 H new ATOM 0 HZ3 LYS A 78 3.359 20.488 -3.390 1.00 31.43 H new ATOM 1248 N LYS A 79 -1.253 16.803 1.159 1.00 31.11 N ATOM 1249 CA LYS A 79 -2.164 16.196 2.090 1.00 43.40 C ATOM 1250 C LYS A 79 -2.960 15.095 1.409 1.00 25.02 C ATOM 1251 O LYS A 79 -3.343 15.231 0.250 1.00 50.20 O ATOM 1252 CB LYS A 79 -3.090 17.277 2.648 1.00 74.33 C ATOM 1253 CG LYS A 79 -3.733 18.157 1.580 1.00 25.32 C ATOM 1254 CD LYS A 79 -4.598 19.297 2.143 1.00 34.42 C ATOM 1255 CE LYS A 79 -3.843 20.244 3.095 1.00 64.31 C ATOM 1256 NZ LYS A 79 -3.684 19.715 4.483 1.00 54.15 N ATOM 0 H LYS A 79 -1.519 16.697 0.180 1.00 31.11 H new ATOM 0 HA LYS A 79 -1.608 15.742 2.910 1.00 43.40 H new ATOM 0 HB2 LYS A 79 -3.877 16.800 3.233 1.00 74.33 H new ATOM 0 HB3 LYS A 79 -2.523 17.909 3.332 1.00 74.33 H new ATOM 0 HG2 LYS A 79 -2.948 18.585 0.956 1.00 25.32 H new ATOM 0 HG3 LYS A 79 -4.350 17.533 0.933 1.00 25.32 H new ATOM 0 HD2 LYS A 79 -5.001 19.878 1.313 1.00 34.42 H new ATOM 0 HD3 LYS A 79 -5.448 18.867 2.673 1.00 34.42 H new ATOM 0 HE2 LYS A 79 -2.856 20.448 2.680 1.00 64.31 H new ATOM 0 HE3 LYS A 79 -4.373 21.196 3.139 1.00 64.31 H new ATOM 0 HZ1 LYS A 79 -3.741 20.500 5.162 1.00 54.15 H new ATOM 0 HZ2 LYS A 79 -4.440 19.029 4.682 1.00 54.15 H new ATOM 0 HZ3 LYS A 79 -2.760 19.246 4.572 1.00 54.15 H new ATOM 1270 N GLY A 80 -3.185 14.012 2.110 1.00 71.12 N ATOM 1271 CA GLY A 80 -3.942 12.921 1.537 1.00 3.22 C ATOM 1272 C GLY A 80 -4.303 11.861 2.530 1.00 41.21 C ATOM 1273 O GLY A 80 -3.984 11.968 3.687 1.00 13.23 O ATOM 0 H GLY A 80 -2.861 13.860 3.065 1.00 71.12 H new ATOM 0 HA2 GLY A 80 -4.855 13.317 1.091 1.00 3.22 H new ATOM 0 HA3 GLY A 80 -3.363 12.471 0.731 1.00 3.22 H new ATOM 1277 N ILE A 81 -5.022 10.891 2.080 1.00 43.11 N ATOM 1278 CA ILE A 81 -5.402 9.729 2.857 1.00 75.12 C ATOM 1279 C ILE A 81 -4.915 8.514 2.083 1.00 11.04 C ATOM 1280 O ILE A 81 -4.710 8.599 0.864 1.00 23.04 O ATOM 1281 CB ILE A 81 -6.966 9.622 3.014 1.00 52.03 C ATOM 1282 CG1 ILE A 81 -7.525 10.855 3.702 1.00 32.21 C ATOM 1283 CG2 ILE A 81 -7.373 8.369 3.786 1.00 44.45 C ATOM 1284 CD1 ILE A 81 -9.031 10.835 3.900 1.00 34.23 C ATOM 0 H ILE A 81 -5.382 10.871 1.126 1.00 43.11 H new ATOM 0 HA ILE A 81 -4.969 9.797 3.855 1.00 75.12 H new ATOM 0 HB ILE A 81 -7.385 9.553 2.010 1.00 52.03 H new ATOM 0 HG12 ILE A 81 -7.044 10.963 4.674 1.00 32.21 H new ATOM 0 HG13 ILE A 81 -7.260 11.735 3.116 1.00 32.21 H new ATOM 0 HG21 ILE A 81 -8.459 8.332 3.873 1.00 44.45 H new ATOM 0 HG22 ILE A 81 -7.021 7.484 3.255 1.00 44.45 H new ATOM 0 HG23 ILE A 81 -6.930 8.395 4.782 1.00 44.45 H new ATOM 0 HD11 ILE A 81 -9.345 11.752 4.398 1.00 34.23 H new ATOM 0 HD12 ILE A 81 -9.524 10.761 2.931 1.00 34.23 H new ATOM 0 HD13 ILE A 81 -9.306 9.977 4.514 1.00 34.23 H new ATOM 1296 N VAL A 82 -4.619 7.453 2.782 1.00 14.21 N ATOM 1297 CA VAL A 82 -4.283 6.203 2.169 1.00 44.33 C ATOM 1298 C VAL A 82 -5.046 5.089 2.896 1.00 63.25 C ATOM 1299 O VAL A 82 -4.772 4.797 4.072 1.00 54.21 O ATOM 1300 CB VAL A 82 -2.748 5.906 2.233 1.00 12.14 C ATOM 1301 CG1 VAL A 82 -2.425 4.614 1.525 1.00 20.25 C ATOM 1302 CG2 VAL A 82 -1.925 7.041 1.636 1.00 32.05 C ATOM 0 H VAL A 82 -4.605 7.434 3.802 1.00 14.21 H new ATOM 0 HA VAL A 82 -4.561 6.252 1.116 1.00 44.33 H new ATOM 0 HB VAL A 82 -2.483 5.815 3.286 1.00 12.14 H new ATOM 0 HG11 VAL A 82 -1.353 4.426 1.581 1.00 20.25 H new ATOM 0 HG12 VAL A 82 -2.962 3.794 2.001 1.00 20.25 H new ATOM 0 HG13 VAL A 82 -2.726 4.687 0.480 1.00 20.25 H new ATOM 0 HG21 VAL A 82 -0.865 6.795 1.700 1.00 32.05 H new ATOM 0 HG22 VAL A 82 -2.202 7.181 0.591 1.00 32.05 H new ATOM 0 HG23 VAL A 82 -2.118 7.960 2.189 1.00 32.05 H new ATOM 1312 N HIS A 83 -6.008 4.514 2.235 1.00 45.24 N ATOM 1313 CA HIS A 83 -6.767 3.407 2.777 1.00 3.25 C ATOM 1314 C HIS A 83 -6.087 2.092 2.415 1.00 63.22 C ATOM 1315 O HIS A 83 -6.145 1.650 1.264 1.00 72.23 O ATOM 1316 CB HIS A 83 -8.196 3.377 2.214 1.00 23.44 C ATOM 1317 CG HIS A 83 -9.079 4.533 2.592 1.00 51.14 C ATOM 1318 ND1 HIS A 83 -9.232 5.000 3.879 1.00 0.00 N ATOM 1319 CD2 HIS A 83 -9.928 5.260 1.837 1.00 23.21 C ATOM 1320 CE1 HIS A 83 -10.161 5.965 3.863 1.00 64.23 C ATOM 1321 NE2 HIS A 83 -10.616 6.160 2.655 1.00 64.22 N ATOM 0 H HIS A 83 -6.296 4.796 1.298 1.00 45.24 H new ATOM 0 HA HIS A 83 -6.812 3.537 3.858 1.00 3.25 H new ATOM 0 HB2 HIS A 83 -8.136 3.332 1.127 1.00 23.44 H new ATOM 0 HB3 HIS A 83 -8.676 2.456 2.545 1.00 23.44 H new ATOM 0 HD2 HIS A 83 -10.056 5.162 0.769 1.00 23.21 H new ATOM 0 HE1 HIS A 83 -10.490 6.510 4.735 1.00 64.23 H new ATOM 0 HE2 HIS A 83 -11.328 6.832 2.367 1.00 64.22 H new ATOM 1329 N VAL A 84 -5.422 1.490 3.370 1.00 4.01 N ATOM 1330 CA VAL A 84 -4.762 0.212 3.155 1.00 4.33 C ATOM 1331 C VAL A 84 -5.583 -0.869 3.828 1.00 72.22 C ATOM 1332 O VAL A 84 -5.632 -0.934 5.044 1.00 53.42 O ATOM 1333 CB VAL A 84 -3.339 0.190 3.790 1.00 1.23 C ATOM 1334 CG1 VAL A 84 -2.596 -1.098 3.447 1.00 42.41 C ATOM 1335 CG2 VAL A 84 -2.527 1.403 3.382 1.00 10.22 C ATOM 0 H VAL A 84 -5.319 1.863 4.314 1.00 4.01 H new ATOM 0 HA VAL A 84 -4.673 0.050 2.081 1.00 4.33 H new ATOM 0 HB VAL A 84 -3.470 0.226 4.871 1.00 1.23 H new ATOM 0 HG11 VAL A 84 -1.607 -1.081 3.905 1.00 42.41 H new ATOM 0 HG12 VAL A 84 -3.156 -1.953 3.825 1.00 42.41 H new ATOM 0 HG13 VAL A 84 -2.493 -1.181 2.365 1.00 42.41 H new ATOM 0 HG21 VAL A 84 -1.541 1.353 3.844 1.00 10.22 H new ATOM 0 HG22 VAL A 84 -2.419 1.421 2.297 1.00 10.22 H new ATOM 0 HG23 VAL A 84 -3.036 2.309 3.711 1.00 10.22 H new ATOM 1345 N LYS A 85 -6.216 -1.703 3.072 1.00 13.55 N ATOM 1346 CA LYS A 85 -7.013 -2.746 3.658 1.00 42.41 C ATOM 1347 C LYS A 85 -6.533 -4.107 3.168 1.00 31.24 C ATOM 1348 O LYS A 85 -6.094 -4.244 2.013 1.00 52.05 O ATOM 1349 CB LYS A 85 -8.513 -2.524 3.381 1.00 13.44 C ATOM 1350 CG LYS A 85 -8.939 -2.663 1.940 1.00 15.33 C ATOM 1351 CD LYS A 85 -10.393 -2.268 1.775 1.00 65.44 C ATOM 1352 CE LYS A 85 -10.953 -2.733 0.447 1.00 42.44 C ATOM 1353 NZ LYS A 85 -11.098 -4.208 0.404 1.00 23.25 N ATOM 0 H LYS A 85 -6.202 -1.689 2.052 1.00 13.55 H new ATOM 0 HA LYS A 85 -6.889 -2.718 4.741 1.00 42.41 H new ATOM 0 HB2 LYS A 85 -9.083 -3.234 3.980 1.00 13.44 H new ATOM 0 HB3 LYS A 85 -8.784 -1.526 3.726 1.00 13.44 H new ATOM 0 HG2 LYS A 85 -8.312 -2.035 1.307 1.00 15.33 H new ATOM 0 HG3 LYS A 85 -8.796 -3.692 1.610 1.00 15.33 H new ATOM 0 HD2 LYS A 85 -10.981 -2.696 2.587 1.00 65.44 H new ATOM 0 HD3 LYS A 85 -10.486 -1.185 1.850 1.00 65.44 H new ATOM 0 HE2 LYS A 85 -11.923 -2.266 0.277 1.00 42.44 H new ATOM 0 HE3 LYS A 85 -10.296 -2.407 -0.360 1.00 42.44 H new ATOM 0 HZ1 LYS A 85 -10.865 -4.552 -0.549 1.00 23.25 H new ATOM 0 HZ2 LYS A 85 -10.453 -4.641 1.095 1.00 23.25 H new ATOM 0 HZ3 LYS A 85 -12.078 -4.467 0.636 1.00 23.25 H new ATOM 1367 N LEU A 86 -6.582 -5.094 4.030 1.00 22.11 N ATOM 1368 CA LEU A 86 -6.118 -6.412 3.695 1.00 2.43 C ATOM 1369 C LEU A 86 -7.324 -7.269 3.501 1.00 25.14 C ATOM 1370 O LEU A 86 -8.039 -7.562 4.461 1.00 15.31 O ATOM 1371 CB LEU A 86 -5.253 -6.999 4.828 1.00 41.11 C ATOM 1372 CG LEU A 86 -3.963 -6.252 5.184 1.00 42.30 C ATOM 1373 CD1 LEU A 86 -3.301 -6.891 6.397 1.00 33.31 C ATOM 1374 CD2 LEU A 86 -3.002 -6.262 4.010 1.00 52.24 C ATOM 0 H LEU A 86 -6.944 -5.003 4.979 1.00 22.11 H new ATOM 0 HA LEU A 86 -5.505 -6.371 2.794 1.00 2.43 H new ATOM 0 HB2 LEU A 86 -5.868 -7.058 5.726 1.00 41.11 H new ATOM 0 HB3 LEU A 86 -4.988 -8.020 4.556 1.00 41.11 H new ATOM 0 HG LEU A 86 -4.219 -5.219 5.421 1.00 42.30 H new ATOM 0 HD11 LEU A 86 -2.386 -6.351 6.639 1.00 33.31 H new ATOM 0 HD12 LEU A 86 -3.982 -6.850 7.247 1.00 33.31 H new ATOM 0 HD13 LEU A 86 -3.060 -7.931 6.175 1.00 33.31 H new ATOM 0 HD21 LEU A 86 -2.092 -5.727 4.280 1.00 52.24 H new ATOM 0 HD22 LEU A 86 -2.755 -7.291 3.751 1.00 52.24 H new ATOM 0 HD23 LEU A 86 -3.468 -5.774 3.154 1.00 52.24 H new ATOM 1386 N ARG A 87 -7.569 -7.630 2.298 1.00 0.52 N ATOM 1387 CA ARG A 87 -8.704 -8.411 1.946 1.00 21.03 C ATOM 1388 C ARG A 87 -8.272 -9.853 1.827 1.00 31.55 C ATOM 1389 O ARG A 87 -7.175 -10.130 1.398 1.00 51.23 O ATOM 1390 CB ARG A 87 -9.249 -7.874 0.633 1.00 22.44 C ATOM 1391 CG ARG A 87 -10.465 -8.558 0.091 1.00 42.53 C ATOM 1392 CD ARG A 87 -10.848 -7.911 -1.208 1.00 61.41 C ATOM 1393 NE ARG A 87 -11.968 -8.569 -1.855 1.00 30.53 N ATOM 1394 CZ ARG A 87 -11.922 -9.071 -3.085 1.00 0.23 C ATOM 1395 NH1 ARG A 87 -10.783 -9.053 -3.775 1.00 35.01 N ATOM 1396 NH2 ARG A 87 -13.020 -9.589 -3.643 1.00 44.40 N ATOM 0 H ARG A 87 -6.973 -7.387 1.507 1.00 0.52 H new ATOM 0 HA ARG A 87 -9.490 -8.354 2.699 1.00 21.03 H new ATOM 0 HB2 ARG A 87 -9.481 -6.817 0.766 1.00 22.44 H new ATOM 0 HB3 ARG A 87 -8.459 -7.935 -0.116 1.00 22.44 H new ATOM 0 HG2 ARG A 87 -10.265 -9.619 -0.061 1.00 42.53 H new ATOM 0 HG3 ARG A 87 -11.286 -8.487 0.804 1.00 42.53 H new ATOM 0 HD2 ARG A 87 -11.101 -6.866 -1.028 1.00 61.41 H new ATOM 0 HD3 ARG A 87 -9.990 -7.920 -1.880 1.00 61.41 H new ATOM 0 HE ARG A 87 -12.842 -8.651 -1.335 1.00 30.53 H new ATOM 0 HH11 ARG A 87 -9.942 -8.653 -3.360 1.00 35.01 H new ATOM 0 HH12 ARG A 87 -10.752 -9.439 -4.719 1.00 35.01 H new ATOM 0 HH21 ARG A 87 -13.899 -9.600 -3.125 1.00 44.40 H new ATOM 0 HH22 ARG A 87 -12.980 -9.973 -4.587 1.00 44.40 H new ATOM 1410 N LYS A 88 -9.080 -10.753 2.261 1.00 43.41 N ATOM 1411 CA LYS A 88 -8.726 -12.157 2.178 1.00 22.02 C ATOM 1412 C LYS A 88 -9.103 -12.714 0.786 1.00 64.24 C ATOM 1413 O LYS A 88 -10.294 -12.828 0.460 1.00 51.30 O ATOM 1414 CB LYS A 88 -9.461 -12.934 3.281 1.00 34.30 C ATOM 1415 CG LYS A 88 -9.072 -14.404 3.394 1.00 3.00 C ATOM 1416 CD LYS A 88 -10.018 -15.178 4.319 1.00 75.42 C ATOM 1417 CE LYS A 88 -9.997 -14.687 5.768 1.00 22.10 C ATOM 1418 NZ LYS A 88 -8.716 -14.976 6.466 1.00 43.23 N ATOM 0 H LYS A 88 -9.991 -10.561 2.678 1.00 43.41 H new ATOM 0 HA LYS A 88 -7.651 -12.271 2.317 1.00 22.02 H new ATOM 0 HB2 LYS A 88 -9.270 -12.447 4.238 1.00 34.30 H new ATOM 0 HB3 LYS A 88 -10.534 -12.869 3.099 1.00 34.30 H new ATOM 0 HG2 LYS A 88 -9.081 -14.859 2.403 1.00 3.00 H new ATOM 0 HG3 LYS A 88 -8.052 -14.481 3.771 1.00 3.00 H new ATOM 0 HD2 LYS A 88 -11.034 -15.100 3.933 1.00 75.42 H new ATOM 0 HD3 LYS A 88 -9.749 -16.234 4.298 1.00 75.42 H new ATOM 0 HE2 LYS A 88 -10.177 -13.612 5.783 1.00 22.10 H new ATOM 0 HE3 LYS A 88 -10.815 -15.155 6.315 1.00 22.10 H new ATOM 0 HZ1 LYS A 88 -8.876 -14.991 7.493 1.00 43.23 H new ATOM 0 HZ2 LYS A 88 -8.354 -15.901 6.159 1.00 43.23 H new ATOM 0 HZ3 LYS A 88 -8.020 -14.238 6.235 1.00 43.23 H new ATOM 1432 N ILE A 89 -8.108 -13.047 -0.038 1.00 12.01 N ATOM 1433 CA ILE A 89 -8.395 -13.618 -1.350 1.00 34.45 C ATOM 1434 C ILE A 89 -8.844 -15.067 -1.174 1.00 53.12 C ATOM 1435 O ILE A 89 -8.083 -15.943 -0.773 1.00 71.51 O ATOM 1436 CB ILE A 89 -7.209 -13.483 -2.382 1.00 22.31 C ATOM 1437 CG1 ILE A 89 -7.551 -14.138 -3.731 1.00 44.22 C ATOM 1438 CG2 ILE A 89 -5.906 -14.020 -1.845 1.00 54.32 C ATOM 1439 CD1 ILE A 89 -6.415 -14.086 -4.744 1.00 51.10 C ATOM 0 H ILE A 89 -7.117 -12.934 0.175 1.00 12.01 H new ATOM 0 HA ILE A 89 -9.202 -13.036 -1.794 1.00 34.45 H new ATOM 0 HB ILE A 89 -7.073 -12.414 -2.546 1.00 22.31 H new ATOM 0 HG12 ILE A 89 -7.826 -15.179 -3.560 1.00 44.22 H new ATOM 0 HG13 ILE A 89 -8.425 -13.643 -4.154 1.00 44.22 H new ATOM 0 HG21 ILE A 89 -5.126 -13.901 -2.597 1.00 54.32 H new ATOM 0 HG22 ILE A 89 -5.629 -13.471 -0.945 1.00 54.32 H new ATOM 0 HG23 ILE A 89 -6.020 -15.077 -1.604 1.00 54.32 H new ATOM 0 HD11 ILE A 89 -6.731 -14.567 -5.670 1.00 51.10 H new ATOM 0 HD12 ILE A 89 -6.155 -13.047 -4.946 1.00 51.10 H new ATOM 0 HD13 ILE A 89 -5.546 -14.607 -4.343 1.00 51.10 H new ATOM 1451 N THR A 90 -10.077 -15.292 -1.465 1.00 62.35 N ATOM 1452 CA THR A 90 -10.716 -16.531 -1.206 1.00 65.33 C ATOM 1453 C THR A 90 -11.515 -16.873 -2.468 1.00 53.50 C ATOM 1454 O THR A 90 -11.450 -16.136 -3.438 1.00 21.01 O ATOM 1455 CB THR A 90 -11.694 -16.323 0.002 1.00 64.42 C ATOM 1456 OG1 THR A 90 -11.074 -15.504 0.991 1.00 73.24 O ATOM 1457 CG2 THR A 90 -12.084 -17.634 0.664 1.00 53.24 C ATOM 0 H THR A 90 -10.685 -14.599 -1.902 1.00 62.35 H new ATOM 0 HA THR A 90 -10.011 -17.327 -0.966 1.00 65.33 H new ATOM 0 HB THR A 90 -12.591 -15.852 -0.400 1.00 64.42 H new ATOM 0 HG1 THR A 90 -11.027 -14.580 0.668 1.00 73.24 H new ATOM 0 HG21 THR A 90 -12.762 -17.435 1.494 1.00 53.24 H new ATOM 0 HG22 THR A 90 -12.580 -18.276 -0.064 1.00 53.24 H new ATOM 0 HG23 THR A 90 -11.190 -18.133 1.037 1.00 53.24 H new ATOM 1465 N GLU A 91 -12.245 -17.965 -2.486 1.00 55.23 N ATOM 1466 CA GLU A 91 -13.157 -18.209 -3.603 1.00 64.32 C ATOM 1467 C GLU A 91 -14.438 -17.414 -3.380 1.00 54.40 C ATOM 1468 O GLU A 91 -15.255 -17.218 -4.273 1.00 4.31 O ATOM 1469 CB GLU A 91 -13.423 -19.686 -3.773 1.00 33.32 C ATOM 1470 CG GLU A 91 -12.155 -20.460 -4.045 1.00 22.34 C ATOM 1471 CD GLU A 91 -12.382 -21.917 -4.244 1.00 44.20 C ATOM 1472 OE1 GLU A 91 -12.786 -22.601 -3.290 1.00 61.24 O ATOM 1473 OE2 GLU A 91 -12.142 -22.405 -5.366 1.00 51.45 O ATOM 0 H GLU A 91 -12.235 -18.687 -1.765 1.00 55.23 H new ATOM 0 HA GLU A 91 -12.699 -17.872 -4.533 1.00 64.32 H new ATOM 0 HB2 GLU A 91 -13.899 -20.075 -2.873 1.00 33.32 H new ATOM 0 HB3 GLU A 91 -14.123 -19.836 -4.595 1.00 33.32 H new ATOM 0 HG2 GLU A 91 -11.672 -20.051 -4.932 1.00 22.34 H new ATOM 0 HG3 GLU A 91 -11.466 -20.318 -3.213 1.00 22.34 H new ATOM 1480 N ASN A 92 -14.565 -16.944 -2.163 1.00 44.43 N ATOM 1481 CA ASN A 92 -15.649 -16.064 -1.744 1.00 70.42 C ATOM 1482 C ASN A 92 -15.327 -14.642 -2.210 1.00 71.25 C ATOM 1483 O ASN A 92 -16.204 -13.878 -2.596 1.00 51.41 O ATOM 1484 CB ASN A 92 -15.766 -16.103 -0.204 1.00 60.21 C ATOM 1485 CG ASN A 92 -16.881 -15.233 0.369 1.00 62.43 C ATOM 1486 OD1 ASN A 92 -18.006 -15.679 0.503 1.00 21.35 O ATOM 1487 ND2 ASN A 92 -16.568 -14.013 0.759 1.00 45.34 N ATOM 0 H ASN A 92 -13.908 -17.162 -1.414 1.00 44.43 H new ATOM 0 HA ASN A 92 -16.594 -16.387 -2.180 1.00 70.42 H new ATOM 0 HB2 ASN A 92 -15.930 -17.134 0.109 1.00 60.21 H new ATOM 0 HB3 ASN A 92 -14.817 -15.786 0.228 1.00 60.21 H new ATOM 0 HD21 ASN A 92 -17.277 -13.416 1.186 1.00 45.34 H new ATOM 0 HD22 ASN A 92 -15.617 -13.666 0.634 1.00 45.34 H new ATOM 1494 N CYS A 93 -14.045 -14.330 -2.218 1.00 74.24 N ATOM 1495 CA CYS A 93 -13.557 -13.029 -2.592 1.00 3.52 C ATOM 1496 C CYS A 93 -12.444 -13.156 -3.630 1.00 14.41 C ATOM 1497 O CYS A 93 -11.286 -13.376 -3.265 1.00 71.23 O ATOM 1498 CB CYS A 93 -13.027 -12.263 -1.379 1.00 63.23 C ATOM 1499 SG CYS A 93 -14.262 -11.825 -0.117 1.00 72.45 S ATOM 0 H CYS A 93 -13.308 -14.987 -1.960 1.00 74.24 H new ATOM 0 HA CYS A 93 -14.395 -12.476 -3.017 1.00 3.52 H new ATOM 0 HB2 CYS A 93 -12.249 -12.862 -0.906 1.00 63.23 H new ATOM 0 HB3 CYS A 93 -12.554 -11.346 -1.730 1.00 63.23 H new ATOM 1504 N PRO A 94 -12.778 -13.070 -4.926 1.00 14.50 N ATOM 1505 CA PRO A 94 -11.789 -13.186 -6.006 1.00 33.02 C ATOM 1506 C PRO A 94 -10.917 -11.916 -6.141 1.00 51.52 C ATOM 1507 O PRO A 94 -11.354 -10.815 -5.765 1.00 41.24 O ATOM 1508 CB PRO A 94 -12.657 -13.380 -7.249 1.00 13.23 C ATOM 1509 CG PRO A 94 -13.940 -12.700 -6.932 1.00 41.22 C ATOM 1510 CD PRO A 94 -14.146 -12.857 -5.452 1.00 12.14 C ATOM 0 HA PRO A 94 -11.080 -13.996 -5.833 1.00 33.02 H new ATOM 0 HB2 PRO A 94 -12.187 -12.944 -8.131 1.00 13.23 H new ATOM 0 HB3 PRO A 94 -12.813 -14.438 -7.461 1.00 13.23 H new ATOM 0 HG2 PRO A 94 -13.901 -11.647 -7.210 1.00 41.22 H new ATOM 0 HG3 PRO A 94 -14.764 -13.146 -7.489 1.00 41.22 H new ATOM 0 HD2 PRO A 94 -14.609 -11.972 -5.016 1.00 12.14 H new ATOM 0 HD3 PRO A 94 -14.798 -13.701 -5.226 1.00 12.14 H new ATOM 1518 N PRO A 95 -9.677 -12.052 -6.661 1.00 24.11 N ATOM 1519 CA PRO A 95 -8.743 -10.926 -6.821 1.00 53.13 C ATOM 1520 C PRO A 95 -9.266 -9.896 -7.809 1.00 20.35 C ATOM 1521 O PRO A 95 -9.814 -10.242 -8.864 1.00 14.44 O ATOM 1522 CB PRO A 95 -7.475 -11.583 -7.382 1.00 20.43 C ATOM 1523 CG PRO A 95 -7.955 -12.845 -8.007 1.00 20.51 C ATOM 1524 CD PRO A 95 -9.090 -13.309 -7.149 1.00 34.21 C ATOM 0 HA PRO A 95 -8.586 -10.393 -5.883 1.00 53.13 H new ATOM 0 HB2 PRO A 95 -6.985 -10.940 -8.113 1.00 20.43 H new ATOM 0 HB3 PRO A 95 -6.749 -11.782 -6.594 1.00 20.43 H new ATOM 0 HG2 PRO A 95 -8.282 -12.675 -9.033 1.00 20.51 H new ATOM 0 HG3 PRO A 95 -7.161 -13.591 -8.045 1.00 20.51 H new ATOM 0 HD2 PRO A 95 -9.811 -13.896 -7.718 1.00 34.21 H new ATOM 0 HD3 PRO A 95 -8.744 -13.937 -6.328 1.00 34.21 H new ATOM 1532 N VAL A 96 -9.098 -8.654 -7.478 1.00 73.22 N ATOM 1533 CA VAL A 96 -9.580 -7.590 -8.333 1.00 32.41 C ATOM 1534 C VAL A 96 -8.435 -7.107 -9.176 1.00 34.33 C ATOM 1535 O VAL A 96 -7.265 -7.229 -8.793 1.00 12.42 O ATOM 1536 CB VAL A 96 -10.157 -6.405 -7.517 1.00 51.52 C ATOM 1537 CG1 VAL A 96 -10.870 -5.368 -8.392 1.00 22.22 C ATOM 1538 CG2 VAL A 96 -11.064 -6.902 -6.437 1.00 2.14 C ATOM 0 H VAL A 96 -8.633 -8.342 -6.626 1.00 73.22 H new ATOM 0 HA VAL A 96 -10.387 -7.982 -8.953 1.00 32.41 H new ATOM 0 HB VAL A 96 -9.308 -5.895 -7.062 1.00 51.52 H new ATOM 0 HG11 VAL A 96 -11.252 -4.563 -7.764 1.00 22.22 H new ATOM 0 HG12 VAL A 96 -10.167 -4.959 -9.118 1.00 22.22 H new ATOM 0 HG13 VAL A 96 -11.699 -5.843 -8.917 1.00 22.22 H new ATOM 0 HG21 VAL A 96 -11.459 -6.055 -5.875 1.00 2.14 H new ATOM 0 HG22 VAL A 96 -11.889 -7.459 -6.882 1.00 2.14 H new ATOM 0 HG23 VAL A 96 -10.506 -7.555 -5.765 1.00 2.14 H new ATOM 1548 N ASP A 97 -8.750 -6.590 -10.299 1.00 2.31 N ATOM 1549 CA ASP A 97 -7.781 -6.118 -11.212 1.00 43.33 C ATOM 1550 C ASP A 97 -7.788 -4.606 -11.175 1.00 4.22 C ATOM 1551 O ASP A 97 -8.615 -3.946 -11.823 1.00 71.14 O ATOM 1552 CB ASP A 97 -8.066 -6.632 -12.626 1.00 12.33 C ATOM 1553 CG ASP A 97 -8.214 -8.148 -12.707 1.00 53.13 C ATOM 1554 OD1 ASP A 97 -7.221 -8.886 -12.485 1.00 44.13 O ATOM 1555 OD2 ASP A 97 -9.346 -8.632 -12.967 1.00 42.30 O ATOM 0 H ASP A 97 -9.712 -6.479 -10.619 1.00 2.31 H new ATOM 0 HA ASP A 97 -6.796 -6.489 -10.928 1.00 43.33 H new ATOM 0 HB2 ASP A 97 -8.979 -6.166 -12.996 1.00 12.33 H new ATOM 0 HB3 ASP A 97 -7.258 -6.318 -13.287 1.00 12.33 H new ATOM 1560 N GLY A 98 -6.946 -4.073 -10.342 1.00 44.04 N ATOM 1561 CA GLY A 98 -6.811 -2.644 -10.189 1.00 61.15 C ATOM 1562 C GLY A 98 -5.518 -2.205 -10.739 1.00 3.32 C ATOM 1563 O GLY A 98 -5.019 -2.787 -11.696 1.00 12.45 O ATOM 0 H GLY A 98 -6.326 -4.616 -9.742 1.00 44.04 H new ATOM 0 HA2 GLY A 98 -7.627 -2.135 -10.702 1.00 61.15 H new ATOM 0 HA3 GLY A 98 -6.879 -2.373 -9.135 1.00 61.15 H new ATOM 1567 N ASN A 99 -4.987 -1.178 -10.187 1.00 2.21 N ATOM 1568 CA ASN A 99 -3.655 -0.766 -10.537 1.00 23.31 C ATOM 1569 C ASN A 99 -2.706 -1.751 -9.927 1.00 25.35 C ATOM 1570 O ASN A 99 -2.703 -1.950 -8.701 1.00 5.42 O ATOM 1571 CB ASN A 99 -3.325 0.651 -10.048 1.00 10.04 C ATOM 1572 CG ASN A 99 -4.051 1.742 -10.800 1.00 20.21 C ATOM 1573 OD1 ASN A 99 -3.555 2.255 -11.804 1.00 12.42 O ATOM 1574 ND2 ASN A 99 -5.198 2.127 -10.321 1.00 12.41 N ATOM 0 H ASN A 99 -5.446 -0.596 -9.486 1.00 2.21 H new ATOM 0 HA ASN A 99 -3.568 -0.742 -11.623 1.00 23.31 H new ATOM 0 HB2 ASN A 99 -3.572 0.726 -8.989 1.00 10.04 H new ATOM 0 HB3 ASN A 99 -2.251 0.815 -10.137 1.00 10.04 H new ATOM 0 HD21 ASN A 99 -5.716 2.876 -10.779 1.00 12.41 H new ATOM 0 HD22 ASN A 99 -5.579 1.679 -9.487 1.00 12.41 H new ATOM 1581 N ARG A 100 -1.962 -2.422 -10.747 1.00 14.33 N ATOM 1582 CA ARG A 100 -1.037 -3.374 -10.257 1.00 50.44 C ATOM 1583 C ARG A 100 0.315 -2.725 -10.118 1.00 12.44 C ATOM 1584 O ARG A 100 0.870 -2.180 -11.075 1.00 15.34 O ATOM 1585 CB ARG A 100 -1.001 -4.634 -11.131 1.00 21.44 C ATOM 1586 CG ARG A 100 -0.153 -5.755 -10.547 1.00 64.31 C ATOM 1587 CD ARG A 100 -0.339 -7.051 -11.308 1.00 64.32 C ATOM 1588 NE ARG A 100 0.427 -8.157 -10.709 1.00 71.13 N ATOM 1589 CZ ARG A 100 -0.080 -9.359 -10.371 1.00 12.42 C ATOM 1590 NH1 ARG A 100 -1.386 -9.612 -10.505 1.00 45.20 N ATOM 1591 NH2 ARG A 100 0.722 -10.299 -9.889 1.00 70.10 N ATOM 0 H ARG A 100 -1.982 -2.323 -11.762 1.00 14.33 H new ATOM 0 HA ARG A 100 -1.357 -3.712 -9.271 1.00 50.44 H new ATOM 0 HB2 ARG A 100 -2.019 -4.996 -11.274 1.00 21.44 H new ATOM 0 HB3 ARG A 100 -0.614 -4.372 -12.116 1.00 21.44 H new ATOM 0 HG2 ARG A 100 0.898 -5.467 -10.570 1.00 64.31 H new ATOM 0 HG3 ARG A 100 -0.419 -5.906 -9.501 1.00 64.31 H new ATOM 0 HD2 ARG A 100 -1.397 -7.312 -11.327 1.00 64.32 H new ATOM 0 HD3 ARG A 100 -0.026 -6.912 -12.343 1.00 64.32 H new ATOM 0 HE ARG A 100 1.420 -8.001 -10.536 1.00 71.13 H new ATOM 0 HH11 ARG A 100 -2.011 -8.891 -10.867 1.00 45.20 H new ATOM 0 HH12 ARG A 100 -1.758 -10.526 -10.246 1.00 45.20 H new ATOM 0 HH21 ARG A 100 1.718 -10.111 -9.775 1.00 70.10 H new ATOM 0 HH22 ARG A 100 0.343 -11.210 -9.632 1.00 70.10 H new ATOM 1605 N CYS A 101 0.810 -2.758 -8.922 1.00 74.21 N ATOM 1606 CA CYS A 101 2.071 -2.163 -8.561 1.00 63.00 C ATOM 1607 C CYS A 101 3.224 -2.940 -9.196 1.00 65.22 C ATOM 1608 O CYS A 101 3.086 -4.144 -9.491 1.00 22.03 O ATOM 1609 CB CYS A 101 2.167 -2.170 -7.024 1.00 64.24 C ATOM 1610 SG CYS A 101 3.760 -1.692 -6.300 1.00 33.53 S ATOM 0 H CYS A 101 0.338 -3.212 -8.140 1.00 74.21 H new ATOM 0 HA CYS A 101 2.136 -1.139 -8.928 1.00 63.00 H new ATOM 0 HB2 CYS A 101 1.402 -1.499 -6.633 1.00 64.24 H new ATOM 0 HB3 CYS A 101 1.922 -3.172 -6.673 1.00 64.24 H new ATOM 1615 N SER A 102 4.323 -2.260 -9.461 1.00 51.04 N ATOM 1616 CA SER A 102 5.492 -2.892 -10.006 1.00 10.22 C ATOM 1617 C SER A 102 6.218 -3.646 -8.878 1.00 3.04 C ATOM 1618 O SER A 102 7.066 -3.087 -8.162 1.00 22.34 O ATOM 1619 CB SER A 102 6.381 -1.836 -10.650 1.00 44.53 C ATOM 1620 OG SER A 102 5.627 -1.053 -11.577 1.00 21.35 O ATOM 0 H SER A 102 4.423 -1.257 -9.302 1.00 51.04 H new ATOM 0 HA SER A 102 5.222 -3.612 -10.778 1.00 10.22 H new ATOM 0 HB2 SER A 102 6.807 -1.192 -9.881 1.00 44.53 H new ATOM 0 HB3 SER A 102 7.215 -2.316 -11.162 1.00 44.53 H new ATOM 0 HG SER A 102 6.209 -0.377 -11.983 1.00 21.35 H new ATOM 1626 N VAL A 103 5.822 -4.883 -8.696 1.00 43.23 N ATOM 1627 CA VAL A 103 6.273 -5.701 -7.596 1.00 31.52 C ATOM 1628 C VAL A 103 7.268 -6.754 -8.071 1.00 21.34 C ATOM 1629 O VAL A 103 7.174 -7.268 -9.192 1.00 32.15 O ATOM 1630 CB VAL A 103 5.065 -6.423 -6.928 1.00 43.11 C ATOM 1631 CG1 VAL A 103 5.472 -7.203 -5.705 1.00 22.53 C ATOM 1632 CG2 VAL A 103 3.951 -5.457 -6.584 1.00 65.22 C ATOM 0 H VAL A 103 5.167 -5.357 -9.318 1.00 43.23 H new ATOM 0 HA VAL A 103 6.760 -5.044 -6.875 1.00 31.52 H new ATOM 0 HB VAL A 103 4.690 -7.130 -7.667 1.00 43.11 H new ATOM 0 HG11 VAL A 103 4.596 -7.688 -5.275 1.00 22.53 H new ATOM 0 HG12 VAL A 103 6.206 -7.959 -5.983 1.00 22.53 H new ATOM 0 HG13 VAL A 103 5.909 -6.526 -4.971 1.00 22.53 H new ATOM 0 HG21 VAL A 103 3.128 -6.001 -6.120 1.00 65.22 H new ATOM 0 HG22 VAL A 103 4.324 -4.703 -5.891 1.00 65.22 H new ATOM 0 HG23 VAL A 103 3.598 -4.970 -7.493 1.00 65.22 H new ATOM 1642 N LEU A 104 8.175 -7.080 -7.202 1.00 74.15 N ATOM 1643 CA LEU A 104 9.195 -8.080 -7.433 1.00 41.54 C ATOM 1644 C LEU A 104 9.676 -8.559 -6.105 1.00 33.31 C ATOM 1645 O LEU A 104 9.507 -9.703 -5.718 1.00 64.04 O ATOM 1646 CB LEU A 104 10.363 -7.512 -8.271 1.00 12.45 C ATOM 1647 CG LEU A 104 11.506 -8.491 -8.595 1.00 12.14 C ATOM 1648 CD1 LEU A 104 11.013 -9.652 -9.445 1.00 14.03 C ATOM 1649 CD2 LEU A 104 12.651 -7.768 -9.287 1.00 62.12 C ATOM 0 H LEU A 104 8.235 -6.648 -6.280 1.00 74.15 H new ATOM 0 HA LEU A 104 8.776 -8.909 -8.004 1.00 41.54 H new ATOM 0 HB2 LEU A 104 9.959 -7.134 -9.210 1.00 12.45 H new ATOM 0 HB3 LEU A 104 10.783 -6.659 -7.739 1.00 12.45 H new ATOM 0 HG LEU A 104 11.874 -8.899 -7.653 1.00 12.14 H new ATOM 0 HD11 LEU A 104 11.843 -10.326 -9.657 1.00 14.03 H new ATOM 0 HD12 LEU A 104 10.235 -10.193 -8.906 1.00 14.03 H new ATOM 0 HD13 LEU A 104 10.607 -9.270 -10.382 1.00 14.03 H new ATOM 0 HD21 LEU A 104 13.449 -8.477 -9.508 1.00 62.12 H new ATOM 0 HD22 LEU A 104 12.293 -7.324 -10.216 1.00 62.12 H new ATOM 0 HD23 LEU A 104 13.033 -6.983 -8.634 1.00 62.12 H new ATOM 1661 N GLU A 105 10.191 -7.637 -5.425 1.00 20.32 N ATOM 1662 CA GLU A 105 10.744 -7.762 -4.090 1.00 63.44 C ATOM 1663 C GLU A 105 10.487 -6.472 -3.351 1.00 14.20 C ATOM 1664 O GLU A 105 10.154 -5.459 -3.998 1.00 42.31 O ATOM 1665 CB GLU A 105 12.244 -8.048 -4.151 1.00 0.41 C ATOM 1666 CG GLU A 105 12.618 -9.489 -4.444 1.00 22.24 C ATOM 1667 CD GLU A 105 12.261 -10.401 -3.300 1.00 33.22 C ATOM 1668 OE1 GLU A 105 12.997 -10.414 -2.288 1.00 60.44 O ATOM 1669 OE2 GLU A 105 11.232 -11.094 -3.367 1.00 71.22 O ATOM 0 H GLU A 105 10.260 -6.684 -5.783 1.00 20.32 H new ATOM 0 HA GLU A 105 10.269 -8.594 -3.571 1.00 63.44 H new ATOM 0 HB2 GLU A 105 12.688 -7.412 -4.917 1.00 0.41 H new ATOM 0 HB3 GLU A 105 12.691 -7.760 -3.199 1.00 0.41 H new ATOM 0 HG2 GLU A 105 12.107 -9.821 -5.347 1.00 22.24 H new ATOM 0 HG3 GLU A 105 13.688 -9.554 -4.641 1.00 22.24 H new ATOM 1676 N PHE A 106 10.689 -6.497 -2.030 1.00 1.42 N ATOM 1677 CA PHE A 106 10.392 -5.367 -1.120 1.00 23.04 C ATOM 1678 C PHE A 106 10.894 -4.047 -1.619 1.00 23.21 C ATOM 1679 O PHE A 106 10.136 -3.108 -1.693 1.00 1.31 O ATOM 1680 CB PHE A 106 10.903 -5.649 0.308 1.00 62.02 C ATOM 1681 CG PHE A 106 10.799 -4.492 1.290 1.00 71.14 C ATOM 1682 CD1 PHE A 106 9.567 -4.025 1.742 1.00 31.43 C ATOM 1683 CD2 PHE A 106 11.947 -3.889 1.774 1.00 21.51 C ATOM 1684 CE1 PHE A 106 9.494 -2.987 2.647 1.00 64.11 C ATOM 1685 CE2 PHE A 106 11.875 -2.851 2.677 1.00 33.54 C ATOM 1686 CZ PHE A 106 10.649 -2.398 3.115 1.00 45.31 C ATOM 0 H PHE A 106 11.069 -7.311 -1.548 1.00 1.42 H new ATOM 0 HA PHE A 106 9.305 -5.286 -1.092 1.00 23.04 H new ATOM 0 HB2 PHE A 106 10.347 -6.495 0.712 1.00 62.02 H new ATOM 0 HB3 PHE A 106 11.947 -5.955 0.246 1.00 62.02 H new ATOM 0 HD1 PHE A 106 8.658 -4.481 1.379 1.00 31.43 H new ATOM 0 HD2 PHE A 106 12.913 -4.237 1.439 1.00 21.51 H new ATOM 0 HE1 PHE A 106 8.532 -2.636 2.989 1.00 64.11 H new ATOM 0 HE2 PHE A 106 12.781 -2.391 3.043 1.00 33.54 H new ATOM 0 HZ PHE A 106 10.594 -1.584 3.823 1.00 45.31 H new ATOM 1696 N GLU A 107 12.138 -4.002 -2.022 1.00 73.31 N ATOM 1697 CA GLU A 107 12.778 -2.759 -2.461 1.00 35.21 C ATOM 1698 C GLU A 107 12.041 -2.118 -3.646 1.00 30.35 C ATOM 1699 O GLU A 107 12.017 -0.890 -3.794 1.00 23.10 O ATOM 1700 CB GLU A 107 14.263 -2.990 -2.765 1.00 74.33 C ATOM 1701 CG GLU A 107 15.021 -1.766 -3.237 1.00 73.02 C ATOM 1702 CD GLU A 107 16.472 -2.048 -3.495 1.00 41.14 C ATOM 1703 OE1 GLU A 107 16.806 -2.625 -4.552 1.00 50.31 O ATOM 1704 OE2 GLU A 107 17.315 -1.692 -2.652 1.00 40.12 O ATOM 0 H GLU A 107 12.748 -4.819 -2.060 1.00 73.31 H new ATOM 0 HA GLU A 107 12.714 -2.046 -1.639 1.00 35.21 H new ATOM 0 HB2 GLU A 107 14.746 -3.373 -1.866 1.00 74.33 H new ATOM 0 HB3 GLU A 107 14.346 -3.765 -3.527 1.00 74.33 H new ATOM 0 HG2 GLU A 107 14.561 -1.388 -4.150 1.00 73.02 H new ATOM 0 HG3 GLU A 107 14.936 -0.979 -2.487 1.00 73.02 H new ATOM 1711 N ARG A 108 11.408 -2.930 -4.438 1.00 13.53 N ATOM 1712 CA ARG A 108 10.666 -2.441 -5.543 1.00 33.42 C ATOM 1713 C ARG A 108 9.256 -2.086 -5.144 1.00 65.41 C ATOM 1714 O ARG A 108 8.745 -1.037 -5.546 1.00 20.22 O ATOM 1715 CB ARG A 108 10.679 -3.414 -6.718 1.00 31.21 C ATOM 1716 CG ARG A 108 12.018 -3.562 -7.444 1.00 72.24 C ATOM 1717 CD ARG A 108 12.428 -2.283 -8.189 1.00 33.31 C ATOM 1718 NE ARG A 108 13.015 -1.241 -7.323 1.00 13.11 N ATOM 1719 CZ ARG A 108 12.558 0.019 -7.195 1.00 62.00 C ATOM 1720 NH1 ARG A 108 11.318 0.326 -7.576 1.00 24.04 N ATOM 1721 NH2 ARG A 108 13.326 0.948 -6.637 1.00 40.54 N ATOM 0 H ARG A 108 11.396 -3.944 -4.331 1.00 13.53 H new ATOM 0 HA ARG A 108 11.159 -1.528 -5.877 1.00 33.42 H new ATOM 0 HB2 ARG A 108 10.373 -4.396 -6.356 1.00 31.21 H new ATOM 0 HB3 ARG A 108 9.929 -3.092 -7.440 1.00 31.21 H new ATOM 0 HG2 ARG A 108 12.792 -3.822 -6.722 1.00 72.24 H new ATOM 0 HG3 ARG A 108 11.954 -4.387 -8.153 1.00 72.24 H new ATOM 0 HD2 ARG A 108 13.148 -2.543 -8.965 1.00 33.31 H new ATOM 0 HD3 ARG A 108 11.552 -1.872 -8.691 1.00 33.31 H new ATOM 0 HE ARG A 108 13.836 -1.497 -6.775 1.00 13.11 H new ATOM 0 HH11 ARG A 108 10.711 -0.395 -7.966 1.00 24.04 H new ATOM 0 HH12 ARG A 108 10.976 1.282 -7.477 1.00 24.04 H new ATOM 0 HH21 ARG A 108 14.260 0.706 -6.306 1.00 40.54 H new ATOM 0 HH22 ARG A 108 12.982 1.903 -6.539 1.00 40.54 H new ATOM 1735 N ASP A 109 8.641 -2.898 -4.309 1.00 71.02 N ATOM 1736 CA ASP A 109 7.257 -2.634 -3.971 1.00 24.30 C ATOM 1737 C ASP A 109 7.100 -1.531 -2.958 1.00 41.41 C ATOM 1738 O ASP A 109 6.132 -0.792 -3.010 1.00 73.30 O ATOM 1739 CB ASP A 109 6.347 -3.882 -3.720 1.00 32.12 C ATOM 1740 CG ASP A 109 6.736 -4.828 -2.594 1.00 61.14 C ATOM 1741 OD1 ASP A 109 7.485 -5.792 -2.843 1.00 11.43 O ATOM 1742 OD2 ASP A 109 6.208 -4.713 -1.483 1.00 31.43 O ATOM 0 H ASP A 109 9.057 -3.717 -3.866 1.00 71.02 H new ATOM 0 HA ASP A 109 6.839 -2.250 -4.902 1.00 24.30 H new ATOM 0 HB2 ASP A 109 5.336 -3.525 -3.524 1.00 32.12 H new ATOM 0 HB3 ASP A 109 6.308 -4.459 -4.644 1.00 32.12 H new ATOM 1747 N ILE A 110 8.099 -1.344 -2.100 1.00 33.32 N ATOM 1748 CA ILE A 110 8.068 -0.234 -1.162 1.00 52.14 C ATOM 1749 C ILE A 110 8.193 1.087 -1.929 1.00 41.55 C ATOM 1750 O ILE A 110 7.467 2.032 -1.655 1.00 72.02 O ATOM 1751 CB ILE A 110 9.165 -0.323 -0.020 1.00 42.21 C ATOM 1752 CG1 ILE A 110 9.049 0.847 0.975 1.00 54.02 C ATOM 1753 CG2 ILE A 110 10.572 -0.358 -0.579 1.00 31.10 C ATOM 1754 CD1 ILE A 110 7.765 0.875 1.765 1.00 21.44 C ATOM 0 H ILE A 110 8.926 -1.938 -2.037 1.00 33.32 H new ATOM 0 HA ILE A 110 7.108 -0.285 -0.648 1.00 52.14 H new ATOM 0 HB ILE A 110 8.973 -1.260 0.504 1.00 42.21 H new ATOM 0 HG12 ILE A 110 9.887 0.800 1.670 1.00 54.02 H new ATOM 0 HG13 ILE A 110 9.143 1.784 0.426 1.00 54.02 H new ATOM 0 HG21 ILE A 110 11.288 -0.419 0.241 1.00 31.10 H new ATOM 0 HG22 ILE A 110 10.685 -1.229 -1.225 1.00 31.10 H new ATOM 0 HG23 ILE A 110 10.757 0.548 -1.156 1.00 31.10 H new ATOM 0 HD11 ILE A 110 7.771 1.732 2.439 1.00 21.44 H new ATOM 0 HD12 ILE A 110 6.919 0.957 1.082 1.00 21.44 H new ATOM 0 HD13 ILE A 110 7.675 -0.043 2.346 1.00 21.44 H new ATOM 1766 N GLU A 111 9.059 1.111 -2.950 1.00 53.33 N ATOM 1767 CA GLU A 111 9.277 2.315 -3.730 1.00 22.33 C ATOM 1768 C GLU A 111 8.012 2.637 -4.503 1.00 20.33 C ATOM 1769 O GLU A 111 7.575 3.770 -4.546 1.00 60.33 O ATOM 1770 CB GLU A 111 10.519 2.125 -4.634 1.00 75.22 C ATOM 1771 CG GLU A 111 10.982 3.337 -5.464 1.00 41.45 C ATOM 1772 CD GLU A 111 10.159 3.601 -6.709 1.00 73.24 C ATOM 1773 OE1 GLU A 111 10.145 2.735 -7.609 1.00 54.14 O ATOM 1774 OE2 GLU A 111 9.594 4.688 -6.850 1.00 31.44 O ATOM 0 H GLU A 111 9.614 0.308 -3.247 1.00 53.33 H new ATOM 0 HA GLU A 111 9.487 3.170 -3.088 1.00 22.33 H new ATOM 0 HB2 GLU A 111 11.350 1.811 -4.003 1.00 75.22 H new ATOM 0 HB3 GLU A 111 10.313 1.304 -5.321 1.00 75.22 H new ATOM 0 HG2 GLU A 111 10.956 4.225 -4.832 1.00 41.45 H new ATOM 0 HG3 GLU A 111 12.021 3.185 -5.757 1.00 41.45 H new ATOM 1781 N CYS A 112 7.407 1.609 -5.027 1.00 52.52 N ATOM 1782 CA CYS A 112 6.175 1.708 -5.776 1.00 3.12 C ATOM 1783 C CYS A 112 5.012 2.206 -4.898 1.00 51.33 C ATOM 1784 O CYS A 112 4.237 3.076 -5.318 1.00 2.22 O ATOM 1785 CB CYS A 112 5.889 0.353 -6.421 1.00 74.54 C ATOM 1786 SG CYS A 112 4.230 0.100 -7.113 1.00 40.15 S ATOM 0 H CYS A 112 7.760 0.655 -4.947 1.00 52.52 H new ATOM 0 HA CYS A 112 6.281 2.455 -6.563 1.00 3.12 H new ATOM 0 HB2 CYS A 112 6.615 0.198 -7.219 1.00 74.54 H new ATOM 0 HB3 CYS A 112 6.066 -0.421 -5.674 1.00 74.54 H new ATOM 1791 N ILE A 113 4.925 1.705 -3.676 1.00 43.43 N ATOM 1792 CA ILE A 113 3.884 2.127 -2.753 1.00 3.24 C ATOM 1793 C ILE A 113 4.097 3.572 -2.331 1.00 43.31 C ATOM 1794 O ILE A 113 3.146 4.368 -2.309 1.00 31.05 O ATOM 1795 CB ILE A 113 3.774 1.185 -1.508 1.00 1.44 C ATOM 1796 CG1 ILE A 113 3.312 -0.233 -1.920 1.00 43.13 C ATOM 1797 CG2 ILE A 113 2.867 1.763 -0.425 1.00 33.52 C ATOM 1798 CD1 ILE A 113 1.978 -0.287 -2.650 1.00 61.40 C ATOM 0 H ILE A 113 5.564 1.004 -3.300 1.00 43.43 H new ATOM 0 HA ILE A 113 2.934 2.057 -3.283 1.00 3.24 H new ATOM 0 HB ILE A 113 4.773 1.107 -1.080 1.00 1.44 H new ATOM 0 HG12 ILE A 113 4.076 -0.677 -2.558 1.00 43.13 H new ATOM 0 HG13 ILE A 113 3.245 -0.851 -1.025 1.00 43.13 H new ATOM 0 HG21 ILE A 113 2.822 1.074 0.418 1.00 33.52 H new ATOM 0 HG22 ILE A 113 3.265 2.721 -0.090 1.00 33.52 H new ATOM 0 HG23 ILE A 113 1.865 1.908 -0.829 1.00 33.52 H new ATOM 0 HD11 ILE A 113 1.740 -1.322 -2.897 1.00 61.40 H new ATOM 0 HD12 ILE A 113 1.196 0.122 -2.010 1.00 61.40 H new ATOM 0 HD13 ILE A 113 2.041 0.299 -3.567 1.00 61.40 H new ATOM 1810 N VAL A 114 5.339 3.928 -2.063 1.00 64.00 N ATOM 1811 CA VAL A 114 5.645 5.281 -1.657 1.00 53.44 C ATOM 1812 C VAL A 114 5.386 6.225 -2.815 1.00 14.23 C ATOM 1813 O VAL A 114 4.777 7.267 -2.640 1.00 13.32 O ATOM 1814 CB VAL A 114 7.099 5.440 -1.113 1.00 23.10 C ATOM 1815 CG1 VAL A 114 7.415 6.902 -0.797 1.00 73.42 C ATOM 1816 CG2 VAL A 114 7.282 4.601 0.145 1.00 35.34 C ATOM 0 H VAL A 114 6.144 3.304 -2.119 1.00 64.00 H new ATOM 0 HA VAL A 114 4.988 5.534 -0.825 1.00 53.44 H new ATOM 0 HB VAL A 114 7.784 5.096 -1.888 1.00 23.10 H new ATOM 0 HG11 VAL A 114 8.435 6.981 -0.420 1.00 73.42 H new ATOM 0 HG12 VAL A 114 7.316 7.500 -1.703 1.00 73.42 H new ATOM 0 HG13 VAL A 114 6.720 7.270 -0.042 1.00 73.42 H new ATOM 0 HG21 VAL A 114 8.300 4.719 0.516 1.00 35.34 H new ATOM 0 HG22 VAL A 114 6.577 4.931 0.908 1.00 35.34 H new ATOM 0 HG23 VAL A 114 7.100 3.552 -0.088 1.00 35.34 H new ATOM 1826 N LYS A 115 5.772 5.799 -4.006 1.00 53.14 N ATOM 1827 CA LYS A 115 5.576 6.571 -5.222 1.00 53.45 C ATOM 1828 C LYS A 115 4.098 6.828 -5.471 1.00 40.13 C ATOM 1829 O LYS A 115 3.719 7.915 -5.878 1.00 35.11 O ATOM 1830 CB LYS A 115 6.175 5.841 -6.418 1.00 33.13 C ATOM 1831 CG LYS A 115 6.052 6.584 -7.731 1.00 34.33 C ATOM 1832 CD LYS A 115 6.598 5.752 -8.857 1.00 71.14 C ATOM 1833 CE LYS A 115 6.513 6.480 -10.180 1.00 71.11 C ATOM 1834 NZ LYS A 115 7.017 5.651 -11.291 1.00 53.31 N ATOM 0 H LYS A 115 6.233 4.902 -4.158 1.00 53.14 H new ATOM 0 HA LYS A 115 6.081 7.528 -5.094 1.00 53.45 H new ATOM 0 HB2 LYS A 115 7.230 5.650 -6.220 1.00 33.13 H new ATOM 0 HB3 LYS A 115 5.688 4.871 -6.517 1.00 33.13 H new ATOM 0 HG2 LYS A 115 5.007 6.826 -7.923 1.00 34.33 H new ATOM 0 HG3 LYS A 115 6.592 7.529 -7.673 1.00 34.33 H new ATOM 0 HD2 LYS A 115 7.636 5.494 -8.649 1.00 71.14 H new ATOM 0 HD3 LYS A 115 6.044 4.816 -8.920 1.00 71.14 H new ATOM 0 HE2 LYS A 115 5.478 6.760 -10.375 1.00 71.11 H new ATOM 0 HE3 LYS A 115 7.089 7.404 -10.125 1.00 71.11 H new ATOM 0 HZ1 LYS A 115 6.943 6.182 -12.182 1.00 53.31 H new ATOM 0 HZ2 LYS A 115 8.012 5.404 -11.116 1.00 53.31 H new ATOM 0 HZ3 LYS A 115 6.451 4.781 -11.359 1.00 53.31 H new ATOM 1848 N ALA A 116 3.269 5.830 -5.214 1.00 73.11 N ATOM 1849 CA ALA A 116 1.834 5.969 -5.397 1.00 14.05 C ATOM 1850 C ALA A 116 1.273 7.023 -4.460 1.00 41.33 C ATOM 1851 O ALA A 116 0.448 7.853 -4.860 1.00 22.12 O ATOM 1852 CB ALA A 116 1.124 4.638 -5.215 1.00 61.44 C ATOM 0 H ALA A 116 3.566 4.914 -4.878 1.00 73.11 H new ATOM 0 HA ALA A 116 1.655 6.298 -6.421 1.00 14.05 H new ATOM 0 HB1 ALA A 116 0.052 4.775 -5.358 1.00 61.44 H new ATOM 0 HB2 ALA A 116 1.499 3.922 -5.947 1.00 61.44 H new ATOM 0 HB3 ALA A 116 1.311 4.261 -4.210 1.00 61.44 H new ATOM 1858 N ILE A 117 1.749 7.015 -3.237 1.00 41.24 N ATOM 1859 CA ILE A 117 1.337 8.002 -2.252 1.00 10.05 C ATOM 1860 C ILE A 117 1.888 9.377 -2.650 1.00 34.21 C ATOM 1861 O ILE A 117 1.169 10.371 -2.648 1.00 55.21 O ATOM 1862 CB ILE A 117 1.827 7.610 -0.830 1.00 73.00 C ATOM 1863 CG1 ILE A 117 1.255 6.238 -0.440 1.00 41.33 C ATOM 1864 CG2 ILE A 117 1.434 8.673 0.202 1.00 44.42 C ATOM 1865 CD1 ILE A 117 1.765 5.705 0.879 1.00 3.41 C ATOM 0 H ILE A 117 2.426 6.334 -2.894 1.00 41.24 H new ATOM 0 HA ILE A 117 0.248 8.041 -2.227 1.00 10.05 H new ATOM 0 HB ILE A 117 2.915 7.549 -0.844 1.00 73.00 H new ATOM 0 HG12 ILE A 117 0.168 6.310 -0.394 1.00 41.33 H new ATOM 0 HG13 ILE A 117 1.494 5.521 -1.225 1.00 41.33 H new ATOM 0 HG21 ILE A 117 1.790 8.372 1.188 1.00 44.42 H new ATOM 0 HG22 ILE A 117 1.883 9.628 -0.070 1.00 44.42 H new ATOM 0 HG23 ILE A 117 0.349 8.776 0.224 1.00 44.42 H new ATOM 0 HD11 ILE A 117 1.312 4.734 1.079 1.00 3.41 H new ATOM 0 HD12 ILE A 117 2.849 5.598 0.833 1.00 3.41 H new ATOM 0 HD13 ILE A 117 1.502 6.399 1.678 1.00 3.41 H new ATOM 1877 N GLU A 118 3.139 9.391 -3.063 1.00 22.52 N ATOM 1878 CA GLU A 118 3.839 10.600 -3.501 1.00 50.41 C ATOM 1879 C GLU A 118 3.135 11.261 -4.648 1.00 5.21 C ATOM 1880 O GLU A 118 2.913 12.477 -4.635 1.00 35.22 O ATOM 1881 CB GLU A 118 5.269 10.263 -3.917 1.00 35.22 C ATOM 1882 CG GLU A 118 6.237 10.095 -2.773 1.00 43.41 C ATOM 1883 CD GLU A 118 6.691 11.419 -2.250 1.00 61.23 C ATOM 1884 OE1 GLU A 118 5.869 12.195 -1.738 1.00 53.43 O ATOM 1885 OE2 GLU A 118 7.887 11.751 -2.408 1.00 12.13 O ATOM 0 H GLU A 118 3.716 8.551 -3.108 1.00 22.52 H new ATOM 0 HA GLU A 118 3.852 11.291 -2.658 1.00 50.41 H new ATOM 0 HB2 GLU A 118 5.255 9.343 -4.501 1.00 35.22 H new ATOM 0 HB3 GLU A 118 5.637 11.052 -4.573 1.00 35.22 H new ATOM 0 HG2 GLU A 118 5.763 9.528 -1.972 1.00 43.41 H new ATOM 0 HG3 GLU A 118 7.100 9.517 -3.105 1.00 43.41 H new ATOM 1892 N GLU A 119 2.756 10.463 -5.612 1.00 3.32 N ATOM 1893 CA GLU A 119 2.138 10.950 -6.806 1.00 65.11 C ATOM 1894 C GLU A 119 0.748 11.461 -6.483 1.00 52.22 C ATOM 1895 O GLU A 119 0.304 12.458 -7.027 1.00 2.21 O ATOM 1896 CB GLU A 119 2.085 9.839 -7.847 1.00 11.14 C ATOM 1897 CG GLU A 119 1.786 10.302 -9.251 1.00 13.44 C ATOM 1898 CD GLU A 119 2.875 11.200 -9.805 1.00 44.11 C ATOM 1899 OE1 GLU A 119 4.017 10.728 -9.984 1.00 24.04 O ATOM 1900 OE2 GLU A 119 2.594 12.383 -10.118 1.00 25.43 O ATOM 0 H GLU A 119 2.871 9.450 -5.585 1.00 3.32 H new ATOM 0 HA GLU A 119 2.722 11.774 -7.216 1.00 65.11 H new ATOM 0 HB2 GLU A 119 3.041 9.315 -7.848 1.00 11.14 H new ATOM 0 HB3 GLU A 119 1.326 9.116 -7.548 1.00 11.14 H new ATOM 0 HG2 GLU A 119 1.669 9.434 -9.900 1.00 13.44 H new ATOM 0 HG3 GLU A 119 0.837 10.838 -9.260 1.00 13.44 H new ATOM 1907 N CYS A 120 0.091 10.786 -5.563 1.00 50.42 N ATOM 1908 CA CYS A 120 -1.226 11.176 -5.121 1.00 13.53 C ATOM 1909 C CYS A 120 -1.166 12.525 -4.416 1.00 32.21 C ATOM 1910 O CYS A 120 -1.915 13.437 -4.745 1.00 30.23 O ATOM 1911 CB CYS A 120 -1.813 10.113 -4.188 1.00 4.32 C ATOM 1912 SG CYS A 120 -3.478 10.492 -3.566 1.00 53.22 S ATOM 0 H CYS A 120 0.457 9.953 -5.103 1.00 50.42 H new ATOM 0 HA CYS A 120 -1.874 11.266 -5.993 1.00 13.53 H new ATOM 0 HB2 CYS A 120 -1.845 9.161 -4.717 1.00 4.32 H new ATOM 0 HB3 CYS A 120 -1.142 9.983 -3.339 1.00 4.32 H new ATOM 1917 N LEU A 121 -0.208 12.669 -3.509 1.00 64.54 N ATOM 1918 CA LEU A 121 -0.070 13.885 -2.723 1.00 23.14 C ATOM 1919 C LEU A 121 0.376 15.057 -3.580 1.00 32.03 C ATOM 1920 O LEU A 121 0.025 16.216 -3.312 1.00 71.53 O ATOM 1921 CB LEU A 121 0.889 13.671 -1.540 1.00 73.20 C ATOM 1922 CG LEU A 121 0.276 13.178 -0.208 1.00 1.45 C ATOM 1923 CD1 LEU A 121 -0.510 11.883 -0.371 1.00 60.34 C ATOM 1924 CD2 LEU A 121 1.370 13.005 0.832 1.00 42.12 C ATOM 0 H LEU A 121 0.488 11.953 -3.300 1.00 64.54 H new ATOM 0 HA LEU A 121 -1.054 14.129 -2.322 1.00 23.14 H new ATOM 0 HB2 LEU A 121 1.649 12.952 -1.848 1.00 73.20 H new ATOM 0 HB3 LEU A 121 1.401 14.613 -1.347 1.00 73.20 H new ATOM 0 HG LEU A 121 -0.431 13.938 0.126 1.00 1.45 H new ATOM 0 HD11 LEU A 121 -0.919 11.582 0.594 1.00 60.34 H new ATOM 0 HD12 LEU A 121 -1.325 12.039 -1.078 1.00 60.34 H new ATOM 0 HD13 LEU A 121 0.151 11.101 -0.746 1.00 60.34 H new ATOM 0 HD21 LEU A 121 0.931 12.658 1.767 1.00 42.12 H new ATOM 0 HD22 LEU A 121 2.096 12.273 0.478 1.00 42.12 H new ATOM 0 HD23 LEU A 121 1.869 13.960 0.998 1.00 42.12 H new ATOM 1936 N ALA A 122 1.130 14.753 -4.611 1.00 4.14 N ATOM 1937 CA ALA A 122 1.625 15.747 -5.523 1.00 14.35 C ATOM 1938 C ALA A 122 0.537 16.198 -6.486 1.00 54.11 C ATOM 1939 O ALA A 122 0.471 17.372 -6.847 1.00 72.14 O ATOM 1940 CB ALA A 122 2.819 15.207 -6.293 1.00 14.30 C ATOM 0 H ALA A 122 1.417 13.801 -4.838 1.00 4.14 H new ATOM 0 HA ALA A 122 1.941 16.613 -4.941 1.00 14.35 H new ATOM 0 HB1 ALA A 122 3.184 15.970 -6.980 1.00 14.30 H new ATOM 0 HB2 ALA A 122 3.611 14.939 -5.594 1.00 14.30 H new ATOM 0 HB3 ALA A 122 2.519 14.324 -6.857 1.00 14.30 H new ATOM 1946 N LYS A 123 -0.321 15.277 -6.874 1.00 64.34 N ATOM 1947 CA LYS A 123 -1.356 15.561 -7.843 1.00 40.11 C ATOM 1948 C LYS A 123 -2.607 16.117 -7.155 1.00 15.52 C ATOM 1949 O LYS A 123 -3.501 16.677 -7.796 1.00 75.32 O ATOM 1950 CB LYS A 123 -1.671 14.291 -8.634 1.00 30.22 C ATOM 1951 CG LYS A 123 -2.514 14.497 -9.870 1.00 63.33 C ATOM 1952 CD LYS A 123 -2.796 13.176 -10.555 1.00 20.13 C ATOM 1953 CE LYS A 123 -3.550 13.377 -11.853 1.00 13.23 C ATOM 1954 NZ LYS A 123 -2.749 14.123 -12.847 1.00 3.33 N ATOM 0 H LYS A 123 -0.320 14.317 -6.529 1.00 64.34 H new ATOM 0 HA LYS A 123 -1.003 16.325 -8.536 1.00 40.11 H new ATOM 0 HB2 LYS A 123 -0.732 13.823 -8.928 1.00 30.22 H new ATOM 0 HB3 LYS A 123 -2.184 13.590 -7.976 1.00 30.22 H new ATOM 0 HG2 LYS A 123 -3.453 14.979 -9.599 1.00 63.33 H new ATOM 0 HG3 LYS A 123 -1.999 15.167 -10.559 1.00 63.33 H new ATOM 0 HD2 LYS A 123 -1.857 12.660 -10.754 1.00 20.13 H new ATOM 0 HD3 LYS A 123 -3.377 12.536 -9.890 1.00 20.13 H new ATOM 0 HE2 LYS A 123 -3.828 12.407 -12.265 1.00 13.23 H new ATOM 0 HE3 LYS A 123 -4.476 13.916 -11.655 1.00 13.23 H new ATOM 0 HZ1 LYS A 123 -3.172 14.009 -13.790 1.00 3.33 H new ATOM 0 HZ2 LYS A 123 -2.734 15.132 -12.594 1.00 3.33 H new ATOM 0 HZ3 LYS A 123 -1.777 13.754 -12.857 1.00 3.33 H new ATOM 1968 N GLY A 124 -2.632 15.991 -5.857 1.00 51.24 N ATOM 1969 CA GLY A 124 -3.742 16.436 -5.057 1.00 31.33 C ATOM 1970 C GLY A 124 -3.725 17.910 -4.789 1.00 70.12 C ATOM 1971 O GLY A 124 -3.649 18.354 -3.646 1.00 22.12 O ATOM 0 H GLY A 124 -1.874 15.572 -5.318 1.00 51.24 H new ATOM 0 HA2 GLY A 124 -4.672 16.176 -5.562 1.00 31.33 H new ATOM 0 HA3 GLY A 124 -3.734 15.901 -4.107 1.00 31.33 H new ATOM 1975 N GLU A 125 -3.777 18.630 -5.831 1.00 0.12 N ATOM 1976 CA GLU A 125 -3.802 20.070 -5.833 1.00 65.44 C ATOM 1977 C GLU A 125 -4.931 20.527 -6.721 1.00 64.42 C ATOM 1978 O GLU A 125 -4.856 20.380 -7.952 1.00 44.24 O ATOM 1979 CB GLU A 125 -2.461 20.636 -6.325 1.00 44.42 C ATOM 1980 CG GLU A 125 -1.316 20.516 -5.323 1.00 74.14 C ATOM 1981 CD GLU A 125 -1.395 21.545 -4.207 1.00 15.50 C ATOM 1982 OE1 GLU A 125 -2.280 21.468 -3.334 1.00 1.01 O ATOM 1983 OE2 GLU A 125 -0.558 22.485 -4.198 1.00 21.21 O ATOM 0 H GLU A 125 -3.806 18.231 -6.769 1.00 0.12 H new ATOM 0 HA GLU A 125 -3.960 20.437 -4.819 1.00 65.44 H new ATOM 0 HB2 GLU A 125 -2.179 20.121 -7.243 1.00 44.42 H new ATOM 0 HB3 GLU A 125 -2.596 21.687 -6.578 1.00 44.42 H new ATOM 0 HG2 GLU A 125 -1.323 19.516 -4.889 1.00 74.14 H new ATOM 0 HG3 GLU A 125 -0.367 20.629 -5.848 1.00 74.14 H new