USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= 0.522 K(o=1.7,f=0.55) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= 0.891 F(o=-6.9!,f=1.7) USER MOD Set 1.3: A 30 THR OG1 : rot -90:sc= 0.258 USER MOD Single : A 5 LYS NZ :NH3+ -137:sc= 1.3 (180deg=0.146) USER MOD Single : A 12 GLN : amide:sc= -0.0727 K(o=-0.073,f=-2.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 65:sc= -2.85! USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0147 F(o=-1.1,f=-0.015) USER MOD Single : A 32 GLN : amide:sc=-0.00722 X(o=-0.0072,f=-0.0013) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.36 F(o=-2.6!,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= -1.1! C(o=-1.1!,f=-8.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 143:sc= -0.365 (180deg=-1.49!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0526 (180deg=-0.269) USER MOD Single : A 69 MET CE :methyl -150:sc= -3.06 (180deg=-4.96!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= 0.0384 F(o=-1.4!,f=0.038) USER MOD Single : A 81 MET CE :methyl -176:sc= -0.76 (180deg=-0.848) USER MOD Single : A 82 THR OG1 : rot -56:sc= 0.0989 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 167:sc= 0 (180deg=-0.192) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 93 SER OG : rot 9:sc= -0.142 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0549) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 101 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-2.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.639) USER MOD Single : A 117 LYS NZ :NH3+ -134:sc= -0.0674 (180deg=-0.461) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 5.681 -11.495 -1.376 1.00 0.63 N ATOM 52 CA GLU A 4 5.712 -10.191 -0.759 1.00 0.52 C ATOM 53 C GLU A 4 5.168 -9.199 -1.770 1.00 0.40 C ATOM 54 O GLU A 4 5.909 -8.622 -2.568 1.00 0.47 O ATOM 55 CB GLU A 4 7.120 -9.789 -0.313 1.00 0.62 C ATOM 56 CG GLU A 4 8.196 -10.823 -0.602 1.00 1.08 C ATOM 57 CD GLU A 4 8.210 -11.967 0.394 1.00 1.31 C ATOM 58 OE1 GLU A 4 8.851 -11.828 1.456 1.00 1.51 O ATOM 59 OE2 GLU A 4 7.596 -13.010 0.119 1.00 1.90 O ATOM 0 HA GLU A 4 5.104 -10.205 0.145 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.390 -8.855 -0.806 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.104 -9.590 0.759 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.045 -11.224 -1.604 1.00 1.08 H new ATOM 0 HG3 GLU A 4 9.170 -10.335 -0.598 1.00 1.08 H new ATOM 66 N LYS A 5 3.860 -9.062 -1.767 1.00 0.31 N ATOM 67 CA LYS A 5 3.160 -8.330 -2.800 1.00 0.26 C ATOM 68 C LYS A 5 2.611 -7.032 -2.260 1.00 0.21 C ATOM 69 O LYS A 5 2.331 -6.925 -1.075 1.00 0.21 O ATOM 70 CB LYS A 5 2.002 -9.151 -3.308 1.00 0.29 C ATOM 71 CG LYS A 5 1.739 -8.981 -4.788 1.00 0.34 C ATOM 72 CD LYS A 5 0.258 -9.033 -5.085 1.00 0.39 C ATOM 73 CE LYS A 5 -0.318 -10.409 -4.810 1.00 0.39 C ATOM 74 NZ LYS A 5 0.125 -11.425 -5.812 1.00 0.56 N ATOM 0 H LYS A 5 3.252 -9.455 -1.049 1.00 0.31 H new ATOM 0 HA LYS A 5 3.868 -8.122 -3.603 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.196 -10.203 -3.101 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.104 -8.877 -2.755 1.00 0.29 H new ATOM 0 HG2 LYS A 5 2.148 -8.029 -5.127 1.00 0.34 H new ATOM 0 HG3 LYS A 5 2.253 -9.765 -5.345 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.262 -8.292 -4.478 1.00 0.39 H new ATOM 0 HD3 LYS A 5 0.086 -8.768 -6.128 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.019 -10.732 -3.813 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.406 -10.351 -4.813 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.684 -12.018 -6.087 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 0.502 -10.942 -6.653 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.867 -12.023 -5.395 1.00 0.56 H new ATOM 88 N ILE A 6 2.429 -6.070 -3.139 1.00 0.21 N ATOM 89 CA ILE A 6 1.886 -4.782 -2.765 1.00 0.20 C ATOM 90 C ILE A 6 0.611 -4.476 -3.554 1.00 0.23 C ATOM 91 O ILE A 6 0.636 -4.398 -4.779 1.00 0.40 O ATOM 92 CB ILE A 6 2.929 -3.675 -3.002 1.00 0.20 C ATOM 93 CG1 ILE A 6 4.145 -3.899 -2.093 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.312 -2.301 -2.778 1.00 0.21 C ATOM 95 CD1 ILE A 6 5.235 -2.863 -2.259 1.00 0.27 C ATOM 0 H ILE A 6 2.653 -6.158 -4.130 1.00 0.21 H new ATOM 0 HA ILE A 6 1.635 -4.815 -1.705 1.00 0.20 H new ATOM 0 HB ILE A 6 3.266 -3.718 -4.038 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.814 -3.901 -1.054 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.561 -4.886 -2.296 1.00 0.22 H new ATOM 0 HG21 ILE A 6 3.065 -1.532 -2.950 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.482 -2.158 -3.470 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.947 -2.229 -1.753 1.00 0.21 H new ATOM 0 HD11 ILE A 6 6.059 -3.090 -1.583 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.595 -2.876 -3.288 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.837 -1.875 -2.026 1.00 0.27 H new ATOM 107 N LEU A 7 -0.501 -4.320 -2.846 1.00 0.11 N ATOM 108 CA LEU A 7 -1.772 -3.979 -3.474 1.00 0.11 C ATOM 109 C LEU A 7 -1.912 -2.471 -3.561 1.00 0.14 C ATOM 110 O LEU A 7 -1.508 -1.763 -2.652 1.00 0.29 O ATOM 111 CB LEU A 7 -2.949 -4.591 -2.696 1.00 0.11 C ATOM 112 CG LEU A 7 -3.486 -5.888 -3.296 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.576 -6.462 -2.425 1.00 0.15 C ATOM 114 CD2 LEU A 7 -4.020 -5.625 -4.691 1.00 0.17 C ATOM 0 H LEU A 7 -0.548 -4.425 -1.832 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.788 -4.394 -4.482 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.633 -4.781 -1.670 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.758 -3.862 -2.650 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.672 -6.611 -3.353 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.947 -7.386 -2.868 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.177 -6.670 -1.432 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.393 -5.745 -2.344 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.402 -6.553 -5.115 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.824 -4.891 -4.640 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.218 -5.241 -5.321 1.00 0.17 H new ATOM 126 N ILE A 8 -2.438 -1.980 -4.669 1.00 0.08 N ATOM 127 CA ILE A 8 -2.567 -0.547 -4.876 1.00 0.08 C ATOM 128 C ILE A 8 -3.974 -0.187 -5.345 1.00 0.08 C ATOM 129 O ILE A 8 -4.390 -0.573 -6.438 1.00 0.10 O ATOM 130 CB ILE A 8 -1.534 -0.074 -5.909 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.122 -0.418 -5.432 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.671 1.421 -6.148 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.855 -0.602 -6.562 1.00 0.12 C ATOM 0 H ILE A 8 -2.783 -2.552 -5.440 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.385 -0.046 -3.925 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.717 -0.588 -6.853 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.236 0.375 -4.775 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.158 -1.332 -4.838 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.932 1.741 -6.883 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.672 1.640 -6.521 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.508 1.956 -5.212 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.838 -0.844 -6.157 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.518 -1.414 -7.206 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.918 0.319 -7.142 1.00 0.12 H new ATOM 145 N VAL A 9 -4.713 0.531 -4.511 1.00 0.09 N ATOM 146 CA VAL A 9 -6.076 0.923 -4.855 1.00 0.10 C ATOM 147 C VAL A 9 -6.103 2.289 -5.542 1.00 0.14 C ATOM 148 O VAL A 9 -5.909 3.310 -4.893 1.00 0.17 O ATOM 149 CB VAL A 9 -6.975 0.964 -3.600 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.378 1.433 -3.952 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.018 -0.404 -2.931 1.00 0.11 C ATOM 0 H VAL A 9 -4.396 0.853 -3.597 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.461 0.173 -5.545 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.547 1.679 -2.898 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.992 1.453 -3.051 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.330 2.434 -4.381 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.819 0.749 -4.676 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.656 -0.357 -2.048 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.419 -1.138 -3.630 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.010 -0.696 -2.635 1.00 0.11 H new ATOM 161 N ASP A 10 -6.362 2.295 -6.854 1.00 0.17 N ATOM 162 CA ASP A 10 -6.412 3.536 -7.627 1.00 0.21 C ATOM 163 C ASP A 10 -7.345 3.429 -8.833 1.00 0.24 C ATOM 164 O ASP A 10 -7.008 2.781 -9.824 1.00 0.38 O ATOM 165 CB ASP A 10 -5.013 3.947 -8.113 1.00 0.23 C ATOM 166 CG ASP A 10 -4.267 4.796 -7.111 1.00 0.76 C ATOM 167 OD1 ASP A 10 -4.590 5.999 -7.005 1.00 0.78 O ATOM 168 OD2 ASP A 10 -3.335 4.274 -6.468 1.00 1.27 O ATOM 0 H ASP A 10 -6.540 1.453 -7.401 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.803 4.298 -6.952 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.431 3.051 -8.327 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -5.107 4.497 -9.049 1.00 0.23 H new ATOM 173 N ASP A 11 -8.515 4.070 -8.758 1.00 0.29 N ATOM 174 CA ASP A 11 -9.393 4.202 -9.919 1.00 0.30 C ATOM 175 C ASP A 11 -8.700 5.016 -10.992 1.00 0.28 C ATOM 176 O ASP A 11 -8.997 4.898 -12.181 1.00 0.32 O ATOM 177 CB ASP A 11 -10.693 4.919 -9.570 1.00 0.39 C ATOM 178 CG ASP A 11 -11.591 4.164 -8.617 1.00 0.79 C ATOM 179 OD1 ASP A 11 -11.222 4.052 -7.427 1.00 1.40 O ATOM 180 OD2 ASP A 11 -12.647 3.668 -9.052 1.00 0.76 O ATOM 0 H ASP A 11 -8.873 4.504 -7.907 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.619 3.193 -10.265 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -10.452 5.887 -9.132 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -11.244 5.114 -10.490 1.00 0.39 H new ATOM 185 N GLN A 12 -7.769 5.848 -10.541 1.00 0.30 N ATOM 186 CA GLN A 12 -7.040 6.764 -11.403 1.00 0.35 C ATOM 187 C GLN A 12 -6.303 6.014 -12.507 1.00 0.31 C ATOM 188 O GLN A 12 -5.946 6.596 -13.528 1.00 0.38 O ATOM 189 CB GLN A 12 -6.039 7.554 -10.569 1.00 0.45 C ATOM 190 CG GLN A 12 -6.662 8.267 -9.379 1.00 0.59 C ATOM 191 CD GLN A 12 -7.327 9.581 -9.740 1.00 1.07 C ATOM 192 OE1 GLN A 12 -7.815 9.764 -10.854 1.00 1.90 O ATOM 193 NE2 GLN A 12 -7.354 10.503 -8.792 1.00 1.77 N ATOM 0 H GLN A 12 -7.498 5.905 -9.559 1.00 0.30 H new ATOM 0 HA GLN A 12 -7.756 7.440 -11.869 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.264 6.877 -10.210 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -5.549 8.290 -11.207 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -7.400 7.610 -8.918 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -5.890 8.453 -8.632 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -6.937 10.310 -7.881 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -7.792 11.407 -8.972 1.00 1.77 H new ATOM 202 N TYR A 13 -6.062 4.725 -12.265 1.00 0.24 N ATOM 203 CA TYR A 13 -5.397 3.833 -13.215 1.00 0.23 C ATOM 204 C TYR A 13 -3.904 4.111 -13.321 1.00 0.22 C ATOM 205 O TYR A 13 -3.094 3.206 -13.143 1.00 0.29 O ATOM 206 CB TYR A 13 -6.049 3.886 -14.601 1.00 0.30 C ATOM 207 CG TYR A 13 -5.344 3.034 -15.637 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.457 1.649 -15.619 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.555 3.612 -16.624 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.811 0.867 -16.556 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.903 2.837 -17.563 1.00 0.67 C ATOM 212 CZ TYR A 13 -4.033 1.465 -17.523 1.00 0.76 C ATOM 213 OH TYR A 13 -3.391 0.687 -18.457 1.00 0.92 O ATOM 0 H TYR A 13 -6.326 4.266 -11.393 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.520 2.825 -12.819 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.085 3.559 -14.518 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.068 4.920 -14.945 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -6.061 1.176 -14.859 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.450 4.686 -16.657 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.915 -0.208 -16.531 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -3.295 3.303 -18.324 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.885 1.261 -19.069 1.00 0.92 H new ATOM 223 N GLY A 14 -3.531 5.337 -13.610 1.00 0.22 N ATOM 224 CA GLY A 14 -2.128 5.635 -13.751 1.00 0.25 C ATOM 225 C GLY A 14 -1.409 5.637 -12.431 1.00 0.23 C ATOM 226 O GLY A 14 -0.296 5.136 -12.346 1.00 0.22 O ATOM 0 H GLY A 14 -4.163 6.125 -13.749 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.668 4.900 -14.412 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.012 6.609 -14.227 1.00 0.25 H new ATOM 230 N ILE A 15 -2.045 6.173 -11.395 1.00 0.24 N ATOM 231 CA ILE A 15 -1.444 6.186 -10.064 1.00 0.23 C ATOM 232 C ILE A 15 -1.074 4.774 -9.641 1.00 0.20 C ATOM 233 O ILE A 15 0.044 4.524 -9.180 1.00 0.19 O ATOM 234 CB ILE A 15 -2.392 6.768 -8.996 1.00 0.24 C ATOM 235 CG1 ILE A 15 -2.967 8.116 -9.442 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.654 6.924 -7.669 1.00 0.25 C ATOM 237 CD1 ILE A 15 -1.966 9.253 -9.442 1.00 0.29 C ATOM 0 H ILE A 15 -2.969 6.601 -11.449 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.560 6.819 -10.131 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.222 6.074 -8.865 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -3.376 8.008 -10.446 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -3.797 8.378 -8.786 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.332 7.336 -6.922 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.295 5.950 -7.336 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -0.807 7.598 -7.801 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -2.456 10.169 -9.770 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.574 9.392 -8.435 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.147 9.017 -10.121 1.00 0.29 H new ATOM 249 N ARG A 16 -2.011 3.842 -9.822 1.00 0.19 N ATOM 250 CA ARG A 16 -1.756 2.464 -9.459 1.00 0.17 C ATOM 251 C ARG A 16 -0.584 1.905 -10.242 1.00 0.16 C ATOM 252 O ARG A 16 0.237 1.175 -9.696 1.00 0.16 O ATOM 253 CB ARG A 16 -2.973 1.551 -9.640 1.00 0.19 C ATOM 254 CG ARG A 16 -3.961 1.943 -10.718 1.00 0.24 C ATOM 255 CD ARG A 16 -4.956 0.814 -10.928 1.00 0.38 C ATOM 256 NE ARG A 16 -5.859 1.030 -12.058 1.00 0.76 N ATOM 257 CZ ARG A 16 -6.981 0.332 -12.246 1.00 0.67 C ATOM 258 NH1 ARG A 16 -7.376 -0.548 -11.334 1.00 0.95 N ATOM 259 NH2 ARG A 16 -7.718 0.531 -13.334 1.00 1.51 N ATOM 0 H ARG A 16 -2.936 4.020 -10.212 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.519 2.479 -8.395 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.615 0.545 -9.856 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.506 1.502 -8.691 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.485 2.855 -10.432 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.435 2.156 -11.648 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -4.409 -0.116 -11.084 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -5.547 0.689 -10.021 1.00 0.38 H new ATOM 0 HE ARG A 16 -5.619 1.752 -12.738 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -6.822 -0.691 -10.490 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -8.233 -1.081 -11.478 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -7.427 1.219 -14.029 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -8.575 -0.004 -13.474 1.00 1.51 H new ATOM 273 N ILE A 17 -0.502 2.254 -11.518 1.00 0.17 N ATOM 274 CA ILE A 17 0.608 1.814 -12.350 1.00 0.18 C ATOM 275 C ILE A 17 1.912 2.438 -11.867 1.00 0.19 C ATOM 276 O ILE A 17 2.944 1.775 -11.855 1.00 0.19 O ATOM 277 CB ILE A 17 0.385 2.160 -13.843 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.871 1.459 -14.373 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.601 1.771 -14.676 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.822 -0.054 -14.272 1.00 0.23 C ATOM 0 H ILE A 17 -1.187 2.838 -11.998 1.00 0.17 H new ATOM 0 HA ILE A 17 0.667 0.729 -12.262 1.00 0.18 H new ATOM 0 HB ILE A 17 0.244 3.238 -13.926 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.738 1.822 -13.821 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -1.018 1.739 -15.416 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.422 2.023 -15.721 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.476 2.312 -14.317 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.776 0.699 -14.586 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.746 -0.475 -14.667 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.023 -0.430 -14.848 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.708 -0.345 -13.228 1.00 0.23 H new ATOM 292 N LEU A 18 1.854 3.701 -11.440 1.00 0.20 N ATOM 293 CA LEU A 18 3.035 4.395 -10.938 1.00 0.21 C ATOM 294 C LEU A 18 3.632 3.637 -9.764 1.00 0.18 C ATOM 295 O LEU A 18 4.839 3.414 -9.701 1.00 0.18 O ATOM 296 CB LEU A 18 2.697 5.821 -10.486 1.00 0.23 C ATOM 297 CG LEU A 18 1.992 6.693 -11.520 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.729 8.081 -10.958 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.806 6.780 -12.805 1.00 0.29 C ATOM 0 H LEU A 18 1.002 4.261 -11.433 1.00 0.20 H new ATOM 0 HA LEU A 18 3.755 4.445 -11.755 1.00 0.21 H new ATOM 0 HB2 LEU A 18 2.068 5.761 -9.598 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.621 6.317 -10.189 1.00 0.23 H new ATOM 0 HG LEU A 18 1.034 6.230 -11.757 1.00 0.26 H new ATOM 0 HD11 LEU A 18 1.226 8.689 -11.710 1.00 0.31 H new ATOM 0 HD12 LEU A 18 1.097 8.002 -10.073 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.675 8.549 -10.687 1.00 0.31 H new ATOM 0 HD21 LEU A 18 2.282 7.407 -13.526 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.782 7.214 -12.589 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.937 5.781 -13.221 1.00 0.29 H new ATOM 311 N LEU A 19 2.776 3.225 -8.840 1.00 0.16 N ATOM 312 CA LEU A 19 3.235 2.459 -7.693 1.00 0.13 C ATOM 313 C LEU A 19 3.586 1.047 -8.125 1.00 0.12 C ATOM 314 O LEU A 19 4.543 0.464 -7.638 1.00 0.11 O ATOM 315 CB LEU A 19 2.178 2.412 -6.587 1.00 0.14 C ATOM 316 CG LEU A 19 1.579 3.756 -6.167 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.798 3.610 -4.872 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.662 4.809 -6.023 1.00 0.17 C ATOM 0 H LEU A 19 1.772 3.406 -8.861 1.00 0.16 H new ATOM 0 HA LEU A 19 4.119 2.954 -7.292 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.366 1.763 -6.916 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.623 1.945 -5.708 1.00 0.14 H new ATOM 0 HG LEU A 19 0.892 4.082 -6.948 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.379 4.576 -4.589 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.010 2.892 -5.013 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.463 3.258 -4.084 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.212 5.755 -5.724 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.379 4.493 -5.265 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.175 4.936 -6.976 1.00 0.17 H new ATOM 330 N ASN A 20 2.817 0.515 -9.063 1.00 0.12 N ATOM 331 CA ASN A 20 3.044 -0.828 -9.582 1.00 0.12 C ATOM 332 C ASN A 20 4.455 -0.943 -10.143 1.00 0.13 C ATOM 333 O ASN A 20 5.240 -1.772 -9.685 1.00 0.14 O ATOM 334 CB ASN A 20 2.011 -1.157 -10.678 1.00 0.15 C ATOM 335 CG ASN A 20 0.898 -2.080 -10.207 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.949 -3.293 -10.401 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.120 -1.512 -9.584 1.00 0.19 N ATOM 0 H ASN A 20 2.023 0.997 -9.484 1.00 0.12 H new ATOM 0 HA ASN A 20 2.930 -1.542 -8.766 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.572 -0.228 -11.042 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.523 -1.620 -11.521 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -0.895 -2.083 -9.248 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.130 -0.502 -9.440 1.00 0.19 H new ATOM 344 N GLU A 21 4.786 -0.078 -11.094 1.00 0.15 N ATOM 345 CA GLU A 21 6.074 -0.137 -11.773 1.00 0.17 C ATOM 346 C GLU A 21 7.230 0.195 -10.833 1.00 0.17 C ATOM 347 O GLU A 21 8.288 -0.412 -10.912 1.00 0.23 O ATOM 348 CB GLU A 21 6.092 0.807 -12.981 1.00 0.19 C ATOM 349 CG GLU A 21 5.832 2.263 -12.627 1.00 0.21 C ATOM 350 CD GLU A 21 5.952 3.189 -13.816 1.00 0.27 C ATOM 351 OE1 GLU A 21 4.996 3.275 -14.613 1.00 0.33 O ATOM 352 OE2 GLU A 21 7.010 3.835 -13.965 1.00 0.40 O ATOM 0 H GLU A 21 4.177 0.676 -11.413 1.00 0.15 H new ATOM 0 HA GLU A 21 6.209 -1.162 -12.118 1.00 0.17 H new ATOM 0 HB2 GLU A 21 7.060 0.731 -13.475 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.341 0.478 -13.699 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.833 2.355 -12.201 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.537 2.576 -11.857 1.00 0.21 H new ATOM 359 N VAL A 22 7.021 1.144 -9.938 1.00 0.15 N ATOM 360 CA VAL A 22 8.085 1.612 -9.057 1.00 0.17 C ATOM 361 C VAL A 22 8.298 0.688 -7.876 1.00 0.16 C ATOM 362 O VAL A 22 9.421 0.509 -7.420 1.00 0.20 O ATOM 363 CB VAL A 22 7.800 3.039 -8.573 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.745 3.444 -7.460 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.928 3.997 -9.734 1.00 0.21 C ATOM 0 H VAL A 22 6.124 1.609 -9.799 1.00 0.15 H new ATOM 0 HA VAL A 22 9.005 1.613 -9.641 1.00 0.17 H new ATOM 0 HB VAL A 22 6.785 3.072 -8.176 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.516 4.460 -7.140 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.627 2.763 -6.617 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.772 3.400 -7.821 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.726 5.012 -9.392 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.939 3.945 -10.139 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.212 3.726 -10.510 1.00 0.21 H new ATOM 375 N PHE A 23 7.251 0.088 -7.376 1.00 0.12 N ATOM 376 CA PHE A 23 7.434 -0.911 -6.353 1.00 0.10 C ATOM 377 C PHE A 23 8.139 -2.098 -6.976 1.00 0.11 C ATOM 378 O PHE A 23 9.093 -2.631 -6.423 1.00 0.15 O ATOM 379 CB PHE A 23 6.098 -1.314 -5.737 1.00 0.10 C ATOM 380 CG PHE A 23 5.495 -0.237 -4.877 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.285 0.762 -4.338 1.00 0.32 C ATOM 382 CD2 PHE A 23 4.142 -0.238 -4.590 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.738 1.743 -3.536 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.589 0.740 -3.790 1.00 0.18 C ATOM 385 CZ PHE A 23 4.375 1.771 -3.319 1.00 0.26 C ATOM 0 H PHE A 23 6.285 0.266 -7.650 1.00 0.12 H new ATOM 0 HA PHE A 23 8.042 -0.510 -5.542 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.399 -1.568 -6.534 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.238 -2.213 -5.137 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.344 0.775 -4.548 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.511 -1.014 -4.997 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.374 2.487 -3.080 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.541 0.699 -3.532 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.927 2.595 -2.784 1.00 0.26 H new ATOM 395 N ASN A 24 7.706 -2.450 -8.178 1.00 0.12 N ATOM 396 CA ASN A 24 8.322 -3.533 -8.927 1.00 0.14 C ATOM 397 C ASN A 24 9.756 -3.186 -9.271 1.00 0.18 C ATOM 398 O ASN A 24 10.622 -4.055 -9.291 1.00 0.20 O ATOM 399 CB ASN A 24 7.531 -3.833 -10.205 1.00 0.16 C ATOM 400 CG ASN A 24 6.256 -4.618 -9.948 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.762 -4.578 -8.718 1.00 0.21 O flip ATOM 402 ND2 ASN A 24 5.732 -5.282 -10.844 1.00 0.15 N flip ATOM 0 H ASN A 24 6.927 -1.998 -8.656 1.00 0.12 H new ATOM 0 HA ASN A 24 8.314 -4.425 -8.301 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.279 -2.894 -10.698 1.00 0.16 H new ATOM 0 HB3 ASN A 24 8.163 -4.394 -10.893 1.00 0.16 H new ATOM 0 HD21 ASN A 24 6.140 -5.289 -11.779 1.00 0.15 H new ATOM 0 HD22 ASN A 24 4.890 -5.825 -10.651 1.00 0.15 H new ATOM 409 N LYS A 25 9.996 -1.900 -9.505 1.00 0.19 N ATOM 410 CA LYS A 25 11.327 -1.404 -9.861 1.00 0.25 C ATOM 411 C LYS A 25 12.272 -1.638 -8.715 1.00 0.24 C ATOM 412 O LYS A 25 13.474 -1.851 -8.890 1.00 0.30 O ATOM 413 CB LYS A 25 11.288 0.090 -10.205 1.00 0.28 C ATOM 414 CG LYS A 25 11.658 1.053 -9.069 1.00 0.25 C ATOM 415 CD LYS A 25 12.167 2.373 -9.627 1.00 0.38 C ATOM 416 CE LYS A 25 11.226 2.928 -10.685 1.00 1.18 C ATOM 417 NZ LYS A 25 11.750 4.173 -11.303 1.00 1.65 N ATOM 0 H LYS A 25 9.281 -1.174 -9.455 1.00 0.19 H new ATOM 0 HA LYS A 25 11.672 -1.945 -10.742 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.966 0.268 -11.040 1.00 0.28 H new ATOM 0 HB3 LYS A 25 10.284 0.337 -10.551 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.787 1.231 -8.438 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.422 0.601 -8.437 1.00 0.25 H new ATOM 0 HD2 LYS A 25 12.273 3.095 -8.817 1.00 0.38 H new ATOM 0 HD3 LYS A 25 13.158 2.230 -10.058 1.00 0.38 H new ATOM 0 HE2 LYS A 25 11.070 2.177 -11.460 1.00 1.18 H new ATOM 0 HE3 LYS A 25 10.254 3.129 -10.235 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 11.077 4.516 -12.018 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 11.875 4.899 -10.569 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 12.666 3.977 -11.756 1.00 1.65 H new ATOM 431 N GLU A 26 11.696 -1.603 -7.539 1.00 0.21 N ATOM 432 CA GLU A 26 12.425 -1.863 -6.329 1.00 0.26 C ATOM 433 C GLU A 26 12.526 -3.370 -6.088 1.00 0.36 C ATOM 434 O GLU A 26 12.886 -3.825 -5.003 1.00 0.78 O ATOM 435 CB GLU A 26 11.740 -1.148 -5.171 1.00 0.23 C ATOM 436 CG GLU A 26 11.735 0.359 -5.353 1.00 0.25 C ATOM 437 CD GLU A 26 13.129 0.945 -5.273 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.654 1.075 -4.149 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.703 1.285 -6.333 1.00 0.68 O ATOM 0 H GLU A 26 10.708 -1.393 -7.397 1.00 0.21 H new ATOM 0 HA GLU A 26 13.442 -1.481 -6.415 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.714 -1.505 -5.081 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.248 -1.399 -4.240 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.293 0.606 -6.318 1.00 0.25 H new ATOM 0 HG3 GLU A 26 11.106 0.814 -4.588 1.00 0.25 H new ATOM 446 N GLY A 27 12.209 -4.139 -7.120 1.00 0.19 N ATOM 447 CA GLY A 27 12.300 -5.579 -7.046 1.00 0.21 C ATOM 448 C GLY A 27 11.022 -6.210 -6.540 1.00 0.25 C ATOM 449 O GLY A 27 10.970 -7.417 -6.310 1.00 0.45 O ATOM 0 H GLY A 27 11.886 -3.782 -8.019 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.533 -5.977 -8.034 1.00 0.21 H new ATOM 0 HA3 GLY A 27 13.124 -5.855 -6.388 1.00 0.21 H new ATOM 453 N TYR A 28 9.976 -5.413 -6.387 1.00 0.15 N ATOM 454 CA TYR A 28 8.780 -5.894 -5.699 1.00 0.15 C ATOM 455 C TYR A 28 7.748 -6.420 -6.685 1.00 0.14 C ATOM 456 O TYR A 28 8.010 -6.508 -7.884 1.00 0.19 O ATOM 457 CB TYR A 28 8.155 -4.788 -4.829 1.00 0.20 C ATOM 458 CG TYR A 28 9.027 -4.359 -3.669 1.00 0.34 C ATOM 459 CD1 TYR A 28 10.210 -5.026 -3.390 1.00 0.84 C ATOM 460 CD2 TYR A 28 8.664 -3.301 -2.847 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.999 -4.664 -2.323 1.00 0.93 C ATOM 462 CE2 TYR A 28 9.455 -2.928 -1.775 1.00 1.04 C ATOM 463 CZ TYR A 28 10.623 -3.619 -1.521 1.00 0.75 C ATOM 464 OH TYR A 28 11.410 -3.283 -0.444 1.00 0.98 O ATOM 0 H TYR A 28 9.926 -4.450 -6.720 1.00 0.15 H new ATOM 0 HA TYR A 28 9.091 -6.714 -5.052 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.946 -3.920 -5.455 1.00 0.20 H new ATOM 0 HB3 TYR A 28 7.199 -5.140 -4.442 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.518 -5.845 -4.023 1.00 0.84 H new ATOM 0 HD2 TYR A 28 7.750 -2.761 -3.047 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.913 -5.202 -2.118 1.00 0.93 H new ATOM 0 HE2 TYR A 28 9.161 -2.103 -1.142 1.00 1.04 H new ATOM 0 HH TYR A 28 12.281 -2.965 -0.762 1.00 0.98 H new ATOM 474 N GLN A 29 6.579 -6.780 -6.168 1.00 0.14 N ATOM 475 CA GLN A 29 5.463 -7.192 -6.998 1.00 0.16 C ATOM 476 C GLN A 29 4.220 -6.465 -6.526 1.00 0.14 C ATOM 477 O GLN A 29 3.988 -6.343 -5.326 1.00 0.17 O ATOM 478 CB GLN A 29 5.244 -8.699 -6.922 1.00 0.23 C ATOM 479 CG GLN A 29 4.015 -9.156 -7.689 1.00 1.14 C ATOM 480 CD GLN A 29 3.751 -10.649 -7.581 1.00 1.32 C ATOM 481 OE1 GLN A 29 4.210 -11.269 -6.505 1.00 1.95 O flip ATOM 482 NE2 GLN A 29 3.147 -11.244 -8.470 1.00 0.97 N flip ATOM 0 H GLN A 29 6.383 -6.793 -5.167 1.00 0.14 H new ATOM 0 HA GLN A 29 5.679 -6.942 -8.037 1.00 0.16 H new ATOM 0 HB2 GLN A 29 6.123 -9.209 -7.316 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.145 -8.995 -5.878 1.00 0.23 H new ATOM 0 HG2 GLN A 29 3.144 -8.614 -7.320 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.134 -8.891 -8.740 1.00 1.14 H new ATOM 0 HE21 GLN A 29 2.807 -10.734 -9.285 1.00 0.97 H new ATOM 0 HE22 GLN A 29 2.985 -12.248 -8.393 1.00 0.97 H new ATOM 491 N THR A 30 3.425 -5.986 -7.459 1.00 0.13 N ATOM 492 CA THR A 30 2.302 -5.145 -7.117 1.00 0.12 C ATOM 493 C THR A 30 1.022 -5.634 -7.753 1.00 0.14 C ATOM 494 O THR A 30 1.029 -6.532 -8.598 1.00 0.21 O ATOM 495 CB THR A 30 2.572 -3.699 -7.550 1.00 0.11 C ATOM 496 OG1 THR A 30 3.271 -3.708 -8.798 1.00 0.13 O ATOM 497 CG2 THR A 30 3.377 -2.969 -6.493 1.00 0.10 C ATOM 0 H THR A 30 3.536 -6.165 -8.457 1.00 0.13 H new ATOM 0 HA THR A 30 2.180 -5.188 -6.035 1.00 0.12 H new ATOM 0 HB THR A 30 1.625 -3.174 -7.670 1.00 0.11 H new ATOM 0 HG1 THR A 30 4.237 -3.730 -8.632 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.559 -1.944 -6.817 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.822 -2.959 -5.555 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.330 -3.478 -6.345 1.00 0.10 H new ATOM 505 N PHE A 31 -0.074 -5.052 -7.317 1.00 0.11 N ATOM 506 CA PHE A 31 -1.367 -5.307 -7.899 1.00 0.13 C ATOM 507 C PHE A 31 -2.198 -4.038 -7.778 1.00 0.11 C ATOM 508 O PHE A 31 -1.745 -3.061 -7.186 1.00 0.10 O ATOM 509 CB PHE A 31 -2.058 -6.482 -7.209 1.00 0.15 C ATOM 510 CG PHE A 31 -2.369 -7.629 -8.130 1.00 0.19 C ATOM 511 CD1 PHE A 31 -3.548 -7.647 -8.858 1.00 0.28 C ATOM 512 CD2 PHE A 31 -1.485 -8.686 -8.267 1.00 0.30 C ATOM 513 CE1 PHE A 31 -3.838 -8.698 -9.704 1.00 0.42 C ATOM 514 CE2 PHE A 31 -1.770 -9.740 -9.112 1.00 0.43 C ATOM 515 CZ PHE A 31 -2.947 -9.746 -9.832 1.00 0.48 C ATOM 0 H PHE A 31 -0.090 -4.386 -6.545 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.254 -5.578 -8.949 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.423 -6.840 -6.399 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -2.985 -6.131 -6.755 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -4.247 -6.830 -8.762 1.00 0.28 H new ATOM 0 HD2 PHE A 31 -0.562 -8.686 -7.706 1.00 0.30 H new ATOM 0 HE1 PHE A 31 -4.761 -8.701 -10.265 1.00 0.42 H new ATOM 0 HE2 PHE A 31 -1.073 -10.559 -9.209 1.00 0.43 H new ATOM 0 HZ PHE A 31 -3.171 -10.569 -10.495 1.00 0.48 H new ATOM 525 N GLN A 32 -3.409 -4.046 -8.300 1.00 0.13 N ATOM 526 CA GLN A 32 -4.168 -2.811 -8.421 1.00 0.13 C ATOM 527 C GLN A 32 -5.666 -3.025 -8.236 1.00 0.14 C ATOM 528 O GLN A 32 -6.202 -4.082 -8.549 1.00 0.18 O ATOM 529 CB GLN A 32 -3.875 -2.170 -9.774 1.00 0.15 C ATOM 530 CG GLN A 32 -3.894 -3.155 -10.930 1.00 0.17 C ATOM 531 CD GLN A 32 -3.299 -2.577 -12.196 1.00 0.56 C ATOM 532 OE1 GLN A 32 -3.998 -1.976 -13.010 1.00 1.29 O ATOM 533 NE2 GLN A 32 -1.999 -2.759 -12.370 1.00 0.44 N ATOM 0 H GLN A 32 -3.886 -4.880 -8.644 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.852 -2.143 -7.620 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.610 -1.387 -9.963 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.898 -1.688 -9.734 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.340 -4.051 -10.649 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -4.922 -3.463 -11.123 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.456 -3.264 -11.669 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.540 -2.394 -13.205 1.00 0.44 H new ATOM 542 N ALA A 33 -6.314 -1.997 -7.711 1.00 0.13 N ATOM 543 CA ALA A 33 -7.748 -1.999 -7.461 1.00 0.15 C ATOM 544 C ALA A 33 -8.348 -0.684 -7.909 1.00 0.20 C ATOM 545 O ALA A 33 -7.625 0.285 -8.125 1.00 0.32 O ATOM 546 CB ALA A 33 -8.017 -2.212 -5.983 1.00 0.16 C ATOM 0 H ALA A 33 -5.854 -1.127 -7.443 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.206 -2.812 -8.025 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.092 -2.212 -5.805 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.598 -3.168 -5.671 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.554 -1.409 -5.410 1.00 0.16 H new ATOM 552 N ALA A 34 -9.656 -0.656 -8.060 1.00 0.29 N ATOM 553 CA ALA A 34 -10.354 0.574 -8.395 1.00 0.32 C ATOM 554 C ALA A 34 -11.526 0.806 -7.449 1.00 0.33 C ATOM 555 O ALA A 34 -12.630 1.110 -7.891 1.00 0.47 O ATOM 556 CB ALA A 34 -10.844 0.520 -9.834 1.00 0.34 C ATOM 0 H ALA A 34 -10.261 -1.471 -7.956 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.658 1.406 -8.287 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.366 1.446 -10.076 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -9.993 0.398 -10.504 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.525 -0.322 -9.955 1.00 0.34 H new ATOM 562 N ASN A 35 -11.291 0.628 -6.147 1.00 0.40 N ATOM 563 CA ASN A 35 -12.333 0.879 -5.146 1.00 0.46 C ATOM 564 C ASN A 35 -11.792 0.649 -3.740 1.00 0.69 C ATOM 565 O ASN A 35 -12.020 1.433 -2.827 1.00 1.79 O ATOM 566 CB ASN A 35 -13.533 -0.058 -5.393 1.00 0.36 C ATOM 567 CG ASN A 35 -14.774 0.267 -4.576 1.00 0.50 C ATOM 568 OD1 ASN A 35 -14.594 0.619 -3.324 1.00 0.96 O flip ATOM 569 ND2 ASN A 35 -15.895 0.154 -5.066 1.00 0.31 N flip ATOM 0 H ASN A 35 -10.399 0.315 -5.763 1.00 0.40 H new ATOM 0 HA ASN A 35 -12.654 1.917 -5.235 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.792 -0.022 -6.451 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.228 -1.081 -5.174 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -15.999 -0.121 -6.043 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -16.721 0.336 -4.496 1.00 0.31 H new ATOM 576 N GLY A 36 -11.086 -0.447 -3.581 1.00 0.36 N ATOM 577 CA GLY A 36 -10.718 -0.925 -2.268 1.00 0.19 C ATOM 578 C GLY A 36 -11.227 -2.332 -2.120 1.00 0.13 C ATOM 579 O GLY A 36 -10.453 -3.261 -1.932 1.00 0.12 O ATOM 0 H GLY A 36 -10.753 -1.028 -4.351 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.636 -0.897 -2.143 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -11.144 -0.284 -1.497 1.00 0.19 H new ATOM 583 N LEU A 37 -12.541 -2.477 -2.301 1.00 0.15 N ATOM 584 CA LEU A 37 -13.211 -3.784 -2.341 1.00 0.16 C ATOM 585 C LEU A 37 -12.523 -4.723 -3.317 1.00 0.17 C ATOM 586 O LEU A 37 -12.614 -5.940 -3.207 1.00 0.22 O ATOM 587 CB LEU A 37 -14.652 -3.594 -2.800 1.00 0.20 C ATOM 588 CG LEU A 37 -15.586 -2.923 -1.796 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.713 -2.196 -2.515 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.151 -3.963 -0.839 1.00 0.30 C ATOM 0 H LEU A 37 -13.176 -1.689 -2.425 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.171 -4.216 -1.341 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.647 -3.002 -3.715 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.064 -4.570 -3.055 1.00 0.20 H new ATOM 0 HG LEU A 37 -15.017 -2.189 -1.225 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.368 -1.724 -1.782 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.294 -1.433 -3.171 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.286 -2.909 -3.108 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.817 -3.477 -0.125 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.708 -4.712 -1.403 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.334 -4.446 -0.303 1.00 0.30 H new ATOM 602 N GLN A 38 -11.827 -4.137 -4.265 1.00 0.14 N ATOM 603 CA GLN A 38 -11.194 -4.891 -5.324 1.00 0.15 C ATOM 604 C GLN A 38 -9.914 -5.509 -4.815 1.00 0.12 C ATOM 605 O GLN A 38 -9.709 -6.717 -4.914 1.00 0.14 O ATOM 606 CB GLN A 38 -10.886 -3.986 -6.508 1.00 0.21 C ATOM 607 CG GLN A 38 -11.805 -2.791 -6.627 1.00 0.22 C ATOM 608 CD GLN A 38 -12.434 -2.706 -8.004 1.00 0.59 C ATOM 609 OE1 GLN A 38 -11.827 -2.201 -8.939 1.00 1.57 O ATOM 610 NE2 GLN A 38 -13.662 -3.146 -8.122 1.00 1.03 N ATOM 0 H GLN A 38 -11.684 -3.129 -4.324 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.875 -5.677 -5.648 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.858 -3.633 -6.424 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -10.948 -4.572 -7.425 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.588 -2.857 -5.872 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.244 -1.878 -6.426 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -14.134 -3.561 -7.319 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -14.146 -3.074 -9.017 1.00 1.03 H new ATOM 619 N ALA A 39 -9.054 -4.661 -4.262 1.00 0.11 N ATOM 620 CA ALA A 39 -7.852 -5.121 -3.600 1.00 0.10 C ATOM 621 C ALA A 39 -8.235 -6.056 -2.467 1.00 0.10 C ATOM 622 O ALA A 39 -7.476 -6.930 -2.079 1.00 0.11 O ATOM 623 CB ALA A 39 -7.034 -3.947 -3.080 1.00 0.11 C ATOM 0 H ALA A 39 -9.173 -3.648 -4.262 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.232 -5.659 -4.317 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.136 -4.319 -2.587 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.750 -3.304 -3.913 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.629 -3.376 -2.367 1.00 0.11 H new ATOM 629 N LEU A 40 -9.438 -5.858 -1.954 1.00 0.11 N ATOM 630 CA LEU A 40 -9.981 -6.711 -0.922 1.00 0.13 C ATOM 631 C LEU A 40 -10.074 -8.139 -1.423 1.00 0.13 C ATOM 632 O LEU A 40 -9.511 -9.059 -0.825 1.00 0.14 O ATOM 633 CB LEU A 40 -11.351 -6.210 -0.509 1.00 0.18 C ATOM 634 CG LEU A 40 -11.653 -6.340 0.988 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.083 -5.914 1.281 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.401 -7.754 1.490 1.00 0.40 C ATOM 0 H LEU A 40 -10.060 -5.103 -2.243 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.320 -6.687 -0.056 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.442 -5.162 -0.795 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.108 -6.760 -1.068 1.00 0.18 H new ATOM 0 HG LEU A 40 -10.973 -5.676 1.522 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.281 -6.013 2.348 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.222 -4.875 0.981 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -13.773 -6.548 0.724 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -11.626 -7.807 2.555 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.040 -8.452 0.949 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.356 -8.017 1.326 1.00 0.40 H new ATOM 648 N ASP A 41 -10.771 -8.310 -2.536 1.00 0.14 N ATOM 649 CA ASP A 41 -10.865 -9.611 -3.180 1.00 0.16 C ATOM 650 C ASP A 41 -9.471 -10.138 -3.491 1.00 0.16 C ATOM 651 O ASP A 41 -9.212 -11.334 -3.397 1.00 0.19 O ATOM 652 CB ASP A 41 -11.668 -9.543 -4.486 1.00 0.21 C ATOM 653 CG ASP A 41 -13.155 -9.330 -4.287 1.00 0.87 C ATOM 654 OD1 ASP A 41 -13.846 -10.275 -3.851 1.00 0.93 O ATOM 655 OD2 ASP A 41 -13.648 -8.229 -4.607 1.00 1.72 O ATOM 0 H ASP A 41 -11.279 -7.565 -3.012 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.380 -10.279 -2.490 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -11.275 -8.733 -5.100 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.515 -10.468 -5.042 1.00 0.21 H new ATOM 660 N ILE A 42 -8.569 -9.231 -3.847 1.00 0.14 N ATOM 661 CA ILE A 42 -7.208 -9.609 -4.190 1.00 0.15 C ATOM 662 C ILE A 42 -6.410 -10.004 -2.945 1.00 0.14 C ATOM 663 O ILE A 42 -5.441 -10.738 -3.043 1.00 0.17 O ATOM 664 CB ILE A 42 -6.469 -8.492 -4.959 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.272 -8.077 -6.187 1.00 0.19 C ATOM 666 CG2 ILE A 42 -5.079 -8.961 -5.384 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.712 -6.858 -6.872 1.00 0.20 C ATOM 0 H ILE A 42 -8.757 -8.230 -3.905 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.284 -10.475 -4.848 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.361 -7.634 -4.296 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.297 -8.905 -6.895 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.302 -7.879 -5.891 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.574 -8.160 -5.924 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.498 -9.225 -4.500 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.171 -9.833 -6.031 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.327 -6.613 -7.738 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.712 -6.018 -6.177 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.691 -7.060 -7.197 1.00 0.20 H new ATOM 679 N VAL A 43 -6.800 -9.537 -1.770 1.00 0.11 N ATOM 680 CA VAL A 43 -6.155 -10.012 -0.555 1.00 0.11 C ATOM 681 C VAL A 43 -6.664 -11.406 -0.216 1.00 0.13 C ATOM 682 O VAL A 43 -5.893 -12.289 0.148 1.00 0.15 O ATOM 683 CB VAL A 43 -6.334 -9.070 0.658 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.810 -9.740 1.918 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.599 -7.772 0.430 1.00 0.14 C ATOM 0 H VAL A 43 -7.539 -8.848 -1.631 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.085 -10.036 -0.761 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.396 -8.857 0.778 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.940 -9.070 2.768 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.362 -10.663 2.096 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.751 -9.969 1.795 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.735 -7.120 1.293 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.537 -7.975 0.292 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -5.993 -7.282 -0.460 1.00 0.14 H new ATOM 695 N THR A 44 -7.955 -11.605 -0.373 1.00 0.14 N ATOM 696 CA THR A 44 -8.554 -12.906 -0.155 1.00 0.19 C ATOM 697 C THR A 44 -8.052 -13.929 -1.190 1.00 0.22 C ATOM 698 O THR A 44 -7.846 -15.102 -0.871 1.00 0.28 O ATOM 699 CB THR A 44 -10.092 -12.792 -0.191 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.546 -12.045 0.943 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.761 -14.157 -0.207 1.00 0.83 C ATOM 0 H THR A 44 -8.614 -10.878 -0.652 1.00 0.14 H new ATOM 0 HA THR A 44 -8.254 -13.264 0.830 1.00 0.19 H new ATOM 0 HB THR A 44 -10.366 -12.277 -1.112 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.523 -11.972 0.917 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.843 -14.031 -0.232 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.439 -14.710 -1.090 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.481 -14.710 0.690 1.00 0.83 H new ATOM 709 N LYS A 45 -7.825 -13.468 -2.417 1.00 0.22 N ATOM 710 CA LYS A 45 -7.393 -14.342 -3.506 1.00 0.27 C ATOM 711 C LYS A 45 -5.862 -14.455 -3.582 1.00 0.27 C ATOM 712 O LYS A 45 -5.320 -15.557 -3.656 1.00 0.30 O ATOM 713 CB LYS A 45 -7.986 -13.838 -4.836 1.00 0.28 C ATOM 714 CG LYS A 45 -6.970 -13.517 -5.924 1.00 0.32 C ATOM 715 CD LYS A 45 -7.638 -12.940 -7.161 1.00 0.33 C ATOM 716 CE LYS A 45 -6.621 -12.601 -8.238 1.00 1.22 C ATOM 717 NZ LYS A 45 -7.261 -12.025 -9.448 1.00 1.64 N ATOM 0 H LYS A 45 -7.933 -12.489 -2.684 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.766 -15.347 -3.308 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.674 -14.593 -5.217 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.574 -12.942 -4.636 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.238 -12.807 -5.540 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.426 -14.422 -6.193 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.360 -13.657 -7.553 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.195 -12.043 -6.890 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -5.895 -11.892 -7.840 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -6.071 -13.501 -8.513 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -6.531 -11.808 -10.157 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -7.936 -12.711 -9.844 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -7.765 -11.152 -9.192 1.00 1.64 H new ATOM 731 N GLU A 46 -5.169 -13.323 -3.558 1.00 0.27 N ATOM 732 CA GLU A 46 -3.716 -13.310 -3.707 1.00 0.30 C ATOM 733 C GLU A 46 -3.025 -13.360 -2.363 1.00 0.29 C ATOM 734 O GLU A 46 -1.976 -13.984 -2.231 1.00 0.34 O ATOM 735 CB GLU A 46 -3.254 -12.052 -4.441 1.00 0.29 C ATOM 736 CG GLU A 46 -3.569 -12.055 -5.922 1.00 0.36 C ATOM 737 CD GLU A 46 -2.889 -13.198 -6.644 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.644 -13.202 -6.733 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.607 -14.089 -7.150 1.00 1.76 O ATOM 0 H GLU A 46 -5.588 -12.401 -3.437 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.449 -14.195 -4.285 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.723 -11.182 -3.982 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.178 -11.941 -4.309 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -4.647 -12.127 -6.063 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -3.253 -11.109 -6.362 1.00 0.36 H new ATOM 746 N ARG A 47 -3.634 -12.714 -1.374 1.00 0.27 N ATOM 747 CA ARG A 47 -3.008 -12.508 -0.074 1.00 0.27 C ATOM 748 C ARG A 47 -1.632 -11.880 -0.262 1.00 0.27 C ATOM 749 O ARG A 47 -0.618 -12.579 -0.314 1.00 0.35 O ATOM 750 CB ARG A 47 -2.878 -13.828 0.688 1.00 0.32 C ATOM 751 CG ARG A 47 -2.780 -13.656 2.192 1.00 0.58 C ATOM 752 CD ARG A 47 -4.152 -13.443 2.804 1.00 1.26 C ATOM 753 NE ARG A 47 -4.124 -13.550 4.259 1.00 2.00 N ATOM 754 CZ ARG A 47 -5.126 -14.037 4.990 1.00 2.89 C ATOM 755 NH1 ARG A 47 -6.236 -14.478 4.407 1.00 3.35 N ATOM 756 NH2 ARG A 47 -5.007 -14.097 6.306 1.00 3.75 N ATOM 0 H ARG A 47 -4.572 -12.320 -1.451 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.639 -11.839 0.511 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.739 -14.456 0.458 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.993 -14.357 0.333 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -2.314 -14.537 2.633 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -2.138 -12.806 2.424 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -4.527 -12.460 2.520 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -4.848 -14.178 2.400 1.00 1.26 H new ATOM 0 HE ARG A 47 -3.286 -13.233 4.746 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -6.326 -14.445 3.392 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -6.998 -14.849 4.975 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -4.152 -13.771 6.756 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -5.771 -14.469 6.871 1.00 3.75 H new ATOM 770 N PRO A 48 -1.575 -10.552 -0.411 1.00 0.23 N ATOM 771 CA PRO A 48 -0.319 -9.852 -0.614 1.00 0.22 C ATOM 772 C PRO A 48 0.464 -9.757 0.691 1.00 0.26 C ATOM 773 O PRO A 48 0.173 -10.473 1.648 1.00 0.44 O ATOM 774 CB PRO A 48 -0.738 -8.458 -1.106 1.00 0.18 C ATOM 775 CG PRO A 48 -2.231 -8.473 -1.190 1.00 0.19 C ATOM 776 CD PRO A 48 -2.706 -9.625 -0.356 1.00 0.34 C ATOM 0 HA PRO A 48 0.335 -10.363 -1.321 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.395 -7.684 -0.419 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.296 -8.240 -2.078 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.647 -7.534 -0.824 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.558 -8.585 -2.224 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -2.929 -9.320 0.666 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.614 -10.071 -0.761 1.00 0.34 H new ATOM 784 N ASP A 49 1.451 -8.886 0.739 1.00 0.25 N ATOM 785 CA ASP A 49 2.216 -8.702 1.961 1.00 0.30 C ATOM 786 C ASP A 49 2.256 -7.225 2.313 1.00 0.27 C ATOM 787 O ASP A 49 2.803 -6.829 3.335 1.00 0.47 O ATOM 788 CB ASP A 49 3.621 -9.278 1.799 1.00 0.41 C ATOM 789 CG ASP A 49 4.175 -9.837 3.096 1.00 0.80 C ATOM 790 OD1 ASP A 49 3.536 -10.741 3.679 1.00 1.10 O ATOM 791 OD2 ASP A 49 5.267 -9.413 3.516 1.00 1.43 O ATOM 0 H ASP A 49 1.742 -8.299 -0.043 1.00 0.25 H new ATOM 0 HA ASP A 49 1.735 -9.238 2.779 1.00 0.30 H new ATOM 0 HB2 ASP A 49 3.602 -10.066 1.047 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.288 -8.500 1.429 1.00 0.41 H new ATOM 796 N LEU A 50 1.678 -6.417 1.432 1.00 0.17 N ATOM 797 CA LEU A 50 1.474 -4.998 1.684 1.00 0.17 C ATOM 798 C LEU A 50 0.300 -4.508 0.830 1.00 0.14 C ATOM 799 O LEU A 50 0.115 -4.976 -0.292 1.00 0.15 O ATOM 800 CB LEU A 50 2.744 -4.201 1.376 1.00 0.24 C ATOM 801 CG LEU A 50 2.716 -2.743 1.819 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.143 -2.628 3.268 1.00 0.38 C ATOM 803 CD2 LEU A 50 3.604 -1.897 0.926 1.00 0.45 C ATOM 0 H LEU A 50 1.338 -6.729 0.522 1.00 0.17 H new ATOM 0 HA LEU A 50 1.244 -4.846 2.738 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.589 -4.694 1.856 1.00 0.24 H new ATOM 0 HB3 LEU A 50 2.924 -4.235 0.301 1.00 0.24 H new ATOM 0 HG LEU A 50 1.695 -2.371 1.730 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.119 -1.582 3.572 1.00 0.38 H new ATOM 0 HD12 LEU A 50 2.462 -3.204 3.895 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.156 -3.015 3.381 1.00 0.38 H new ATOM 0 HD21 LEU A 50 3.571 -0.859 1.258 1.00 0.45 H new ATOM 0 HD22 LEU A 50 4.629 -2.263 0.981 1.00 0.45 H new ATOM 0 HD23 LEU A 50 3.251 -1.960 -0.103 1.00 0.45 H new ATOM 815 N VAL A 51 -0.513 -3.605 1.369 1.00 0.14 N ATOM 816 CA VAL A 51 -1.745 -3.162 0.696 1.00 0.14 C ATOM 817 C VAL A 51 -1.972 -1.664 0.840 1.00 0.17 C ATOM 818 O VAL A 51 -2.389 -1.211 1.891 1.00 0.39 O ATOM 819 CB VAL A 51 -2.975 -3.863 1.304 1.00 0.14 C ATOM 820 CG1 VAL A 51 -3.365 -5.118 0.550 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.681 -4.239 2.704 1.00 0.94 C ATOM 0 H VAL A 51 -0.347 -3.160 2.272 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.622 -3.416 -0.357 1.00 0.14 H new ATOM 0 HB VAL A 51 -3.805 -3.159 1.243 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.237 -5.570 1.022 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -3.603 -4.863 -0.483 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -2.536 -5.825 0.567 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.549 -4.735 3.137 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -1.827 -4.916 2.727 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -2.450 -3.343 3.280 1.00 0.94 H new ATOM 831 N LEU A 52 -1.741 -0.897 -0.205 1.00 0.14 N ATOM 832 CA LEU A 52 -2.013 0.531 -0.148 1.00 0.13 C ATOM 833 C LEU A 52 -3.428 0.846 -0.605 1.00 0.14 C ATOM 834 O LEU A 52 -3.817 0.544 -1.735 1.00 0.18 O ATOM 835 CB LEU A 52 -1.002 1.342 -0.953 1.00 0.15 C ATOM 836 CG LEU A 52 0.254 1.717 -0.172 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.191 0.525 -0.055 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.951 2.906 -0.817 1.00 0.25 C ATOM 0 H LEU A 52 -1.370 -1.229 -1.095 1.00 0.14 H new ATOM 0 HA LEU A 52 -1.915 0.824 0.897 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.712 0.770 -1.835 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.483 2.254 -1.308 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.041 2.008 0.836 1.00 0.17 H new ATOM 0 HD11 LEU A 52 2.080 0.815 0.505 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.683 -0.287 0.465 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.483 0.192 -1.051 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.844 3.158 -0.245 1.00 0.25 H new ATOM 0 HD22 LEU A 52 1.234 2.652 -1.839 1.00 0.25 H new ATOM 0 HD23 LEU A 52 0.275 3.761 -0.830 1.00 0.25 H new ATOM 850 N LEU A 53 -4.195 1.455 0.293 1.00 0.16 N ATOM 851 CA LEU A 53 -5.589 1.761 0.021 1.00 0.17 C ATOM 852 C LEU A 53 -5.794 3.272 -0.014 1.00 0.19 C ATOM 853 O LEU A 53 -5.842 3.904 1.035 1.00 0.36 O ATOM 854 CB LEU A 53 -6.523 1.174 1.095 1.00 0.21 C ATOM 855 CG LEU A 53 -6.296 -0.292 1.499 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.544 -0.861 2.139 1.00 0.42 C ATOM 857 CD2 LEU A 53 -5.876 -1.155 0.318 1.00 0.53 C ATOM 0 H LEU A 53 -3.872 1.746 1.216 1.00 0.16 H new ATOM 0 HA LEU A 53 -5.833 1.315 -0.943 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.436 1.789 1.991 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.549 1.272 0.740 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.480 -0.304 2.221 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.368 -1.899 2.420 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.793 -0.282 3.028 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.371 -0.812 1.431 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -5.727 -2.182 0.652 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -6.654 -1.131 -0.445 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -4.945 -0.771 -0.100 1.00 0.53 H new ATOM 869 N ASP A 54 -5.902 3.869 -1.187 1.00 0.23 N ATOM 870 CA ASP A 54 -6.095 5.316 -1.251 1.00 0.23 C ATOM 871 C ASP A 54 -7.534 5.675 -0.921 1.00 0.24 C ATOM 872 O ASP A 54 -8.418 5.505 -1.739 1.00 0.29 O ATOM 873 CB ASP A 54 -5.750 5.866 -2.635 1.00 0.29 C ATOM 874 CG ASP A 54 -5.722 7.382 -2.650 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.390 7.977 -1.604 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.054 7.983 -3.693 1.00 0.35 O ATOM 0 H ASP A 54 -5.862 3.395 -2.089 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.425 5.764 -0.518 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.779 5.482 -2.947 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.481 5.509 -3.360 1.00 0.29 H new ATOM 881 N MET A 55 -7.781 6.192 0.271 1.00 0.22 N ATOM 882 CA MET A 55 -9.135 6.608 0.617 1.00 0.25 C ATOM 883 C MET A 55 -9.416 7.956 -0.030 1.00 0.26 C ATOM 884 O MET A 55 -10.501 8.525 0.095 1.00 0.29 O ATOM 885 CB MET A 55 -9.340 6.667 2.135 1.00 0.26 C ATOM 886 CG MET A 55 -8.484 7.693 2.873 1.00 0.25 C ATOM 887 SD MET A 55 -9.125 9.382 2.784 1.00 0.68 S ATOM 888 CE MET A 55 -10.776 9.154 3.448 1.00 0.38 C ATOM 0 H MET A 55 -7.083 6.333 1.001 1.00 0.22 H new ATOM 0 HA MET A 55 -9.841 5.869 0.238 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.389 6.884 2.334 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.134 5.681 2.551 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.404 7.400 3.920 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.476 7.675 2.459 1.00 0.25 H new ATOM 0 HE1 MET A 55 -11.048 10.019 4.053 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.486 9.047 2.628 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.798 8.257 4.067 1.00 0.38 H new ATOM 898 N LYS A 56 -8.412 8.437 -0.743 1.00 0.26 N ATOM 899 CA LYS A 56 -8.482 9.679 -1.481 1.00 0.31 C ATOM 900 C LYS A 56 -8.877 9.348 -2.913 1.00 0.35 C ATOM 901 O LYS A 56 -9.037 10.219 -3.770 1.00 0.41 O ATOM 902 CB LYS A 56 -7.118 10.373 -1.399 1.00 0.35 C ATOM 903 CG LYS A 56 -7.025 11.726 -2.079 1.00 0.45 C ATOM 904 CD LYS A 56 -8.331 12.512 -2.052 1.00 0.49 C ATOM 905 CE LYS A 56 -8.872 12.693 -0.644 1.00 0.38 C ATOM 906 NZ LYS A 56 -10.051 13.598 -0.624 1.00 0.44 N ATOM 0 H LYS A 56 -7.512 7.965 -0.824 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.225 10.361 -1.068 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.857 10.497 -0.348 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.369 9.714 -1.838 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.246 12.314 -1.594 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -6.718 11.583 -3.115 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.172 13.490 -2.505 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.074 11.996 -2.660 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.150 11.723 -0.233 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -8.090 13.099 -0.002 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -10.394 13.699 0.352 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.779 14.531 -0.994 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.806 13.198 -1.217 1.00 0.44 H new ATOM 920 N ILE A 57 -9.056 8.057 -3.139 1.00 0.36 N ATOM 921 CA ILE A 57 -9.390 7.535 -4.436 1.00 0.43 C ATOM 922 C ILE A 57 -10.742 8.060 -4.935 1.00 0.38 C ATOM 923 O ILE A 57 -11.680 8.275 -4.160 1.00 0.45 O ATOM 924 CB ILE A 57 -9.371 5.984 -4.415 1.00 0.57 C ATOM 925 CG1 ILE A 57 -8.899 5.453 -5.756 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.729 5.400 -4.060 1.00 0.71 C ATOM 927 CD1 ILE A 57 -7.560 6.018 -6.156 1.00 1.79 C ATOM 0 H ILE A 57 -8.971 7.343 -2.415 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.633 7.885 -5.138 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.674 5.672 -3.637 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -8.833 4.366 -5.711 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -9.637 5.696 -6.521 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.668 4.312 -4.057 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -11.028 5.749 -3.072 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.466 5.720 -4.796 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -7.266 5.608 -7.122 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -7.630 7.103 -6.229 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -6.814 5.752 -5.407 1.00 1.79 H new ATOM 939 N PRO A 58 -10.796 8.348 -6.242 1.00 0.34 N ATOM 940 CA PRO A 58 -11.997 8.679 -7.008 1.00 0.31 C ATOM 941 C PRO A 58 -13.295 8.014 -6.524 1.00 0.41 C ATOM 942 O PRO A 58 -14.349 8.652 -6.520 1.00 1.18 O ATOM 943 CB PRO A 58 -11.626 8.173 -8.417 1.00 0.46 C ATOM 944 CG PRO A 58 -10.182 7.771 -8.340 1.00 0.70 C ATOM 945 CD PRO A 58 -9.643 8.426 -7.121 1.00 0.41 C ATOM 0 HA PRO A 58 -12.230 9.741 -6.928 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.252 7.329 -8.707 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -11.776 8.952 -9.164 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.081 6.687 -8.279 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.639 8.092 -9.229 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -8.778 7.900 -6.717 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.333 9.454 -7.306 1.00 0.41 H new ATOM 953 N GLY A 59 -13.239 6.746 -6.131 1.00 0.86 N ATOM 954 CA GLY A 59 -14.461 6.056 -5.760 1.00 0.93 C ATOM 955 C GLY A 59 -14.386 5.353 -4.417 1.00 0.80 C ATOM 956 O GLY A 59 -13.708 4.332 -4.287 1.00 1.71 O ATOM 0 H GLY A 59 -12.386 6.191 -6.063 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.280 6.775 -5.738 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -14.701 5.323 -6.530 1.00 0.93 H new ATOM 960 N MET A 60 -15.115 5.895 -3.436 1.00 0.77 N ATOM 961 CA MET A 60 -15.219 5.311 -2.092 1.00 0.49 C ATOM 962 C MET A 60 -13.886 5.313 -1.349 1.00 0.60 C ATOM 963 O MET A 60 -12.907 5.922 -1.785 1.00 1.30 O ATOM 964 CB MET A 60 -15.763 3.879 -2.161 1.00 0.65 C ATOM 965 CG MET A 60 -17.207 3.785 -2.622 1.00 0.83 C ATOM 966 SD MET A 60 -17.786 2.078 -2.744 1.00 1.92 S ATOM 967 CE MET A 60 -19.497 2.335 -3.213 1.00 2.52 C ATOM 0 H MET A 60 -15.652 6.754 -3.551 1.00 0.77 H new ATOM 0 HA MET A 60 -15.913 5.941 -1.535 1.00 0.49 H new ATOM 0 HB2 MET A 60 -15.138 3.297 -2.838 1.00 0.65 H new ATOM 0 HB3 MET A 60 -15.677 3.421 -1.175 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.843 4.332 -1.926 1.00 0.83 H new ATOM 0 HG3 MET A 60 -17.307 4.269 -3.593 1.00 0.83 H new ATOM 0 HE1 MET A 60 -19.992 1.370 -3.327 1.00 2.52 H new ATOM 0 HE2 MET A 60 -20.003 2.913 -2.440 1.00 2.52 H new ATOM 0 HE3 MET A 60 -19.538 2.878 -4.157 1.00 2.52 H new ATOM 977 N ASP A 61 -13.882 4.660 -0.195 1.00 0.36 N ATOM 978 CA ASP A 61 -12.667 4.426 0.570 1.00 0.35 C ATOM 979 C ASP A 61 -12.394 2.945 0.659 1.00 0.47 C ATOM 980 O ASP A 61 -13.271 2.114 0.410 1.00 1.11 O ATOM 981 CB ASP A 61 -12.757 4.995 1.997 1.00 0.42 C ATOM 982 CG ASP A 61 -14.035 4.621 2.716 1.00 0.68 C ATOM 983 OD1 ASP A 61 -14.173 3.440 3.110 1.00 1.07 O ATOM 984 OD2 ASP A 61 -14.892 5.509 2.915 1.00 0.99 O ATOM 0 H ASP A 61 -14.723 4.277 0.237 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.859 4.938 0.048 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.906 4.638 2.576 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.679 6.081 1.952 1.00 0.42 H new ATOM 989 N GLY A 62 -11.167 2.620 1.007 1.00 0.36 N ATOM 990 CA GLY A 62 -10.831 1.260 1.319 1.00 0.32 C ATOM 991 C GLY A 62 -10.775 1.063 2.820 1.00 0.29 C ATOM 992 O GLY A 62 -10.129 0.143 3.307 1.00 0.31 O ATOM 0 H GLY A 62 -10.393 3.281 1.079 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -11.570 0.587 0.884 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -9.868 1.005 0.876 1.00 0.32 H new ATOM 996 N ILE A 63 -11.456 1.935 3.560 1.00 0.28 N ATOM 997 CA ILE A 63 -11.406 1.902 5.015 1.00 0.29 C ATOM 998 C ILE A 63 -11.991 0.593 5.543 1.00 0.29 C ATOM 999 O ILE A 63 -11.294 -0.202 6.177 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.161 3.099 5.654 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.294 4.366 5.698 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.615 2.747 7.068 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.590 4.713 4.417 1.00 0.52 C ATOM 0 H ILE A 63 -12.047 2.671 3.174 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.356 1.975 5.296 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.029 3.303 5.027 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.925 5.207 5.985 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.546 4.247 6.482 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -13.143 3.596 7.503 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -13.281 1.885 7.032 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.746 2.508 7.680 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -10.007 5.623 4.557 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.926 3.896 4.134 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -11.326 4.872 3.629 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.275 0.364 5.266 1.00 0.31 N ATOM 1016 CA GLU A 64 -13.927 -0.878 5.656 1.00 0.35 C ATOM 1017 C GLU A 64 -13.311 -2.039 4.907 1.00 0.29 C ATOM 1018 O GLU A 64 -13.488 -3.193 5.267 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.419 -0.831 5.382 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.161 0.081 6.328 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.662 -0.053 6.197 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.167 -1.194 6.314 1.00 1.69 O ATOM 1023 OE2 GLU A 64 -18.346 0.966 5.999 1.00 1.63 O ATOM 0 H GLU A 64 -13.879 1.023 4.774 1.00 0.31 H new ATOM 0 HA GLU A 64 -13.782 -1.010 6.728 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.585 -0.497 4.358 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -15.829 -1.838 5.459 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -15.867 -0.145 7.353 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -15.873 1.114 6.134 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.581 -1.717 3.864 1.00 0.26 N ATOM 1031 CA ILE A 65 -11.890 -2.715 3.090 1.00 0.24 C ATOM 1032 C ILE A 65 -10.733 -3.282 3.893 1.00 0.24 C ATOM 1033 O ILE A 65 -10.613 -4.489 4.037 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.369 -2.124 1.774 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.531 -1.547 0.959 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.599 -3.168 0.993 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.751 -2.433 0.933 1.00 0.50 C ATOM 0 H ILE A 65 -12.452 -0.761 3.532 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.594 -3.513 2.854 1.00 0.24 H new ATOM 0 HB ILE A 65 -10.680 -1.309 1.996 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -12.806 -0.576 1.372 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.196 -1.375 -0.064 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.236 -2.732 0.062 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.752 -3.514 1.585 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -11.253 -4.010 0.768 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.532 -1.960 0.338 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -13.492 -3.396 0.492 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -14.112 -2.585 1.950 1.00 0.50 H new ATOM 1049 N ALA A 66 -9.902 -2.395 4.431 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.822 -2.795 5.326 1.00 0.26 C ATOM 1051 C ALA A 66 -9.400 -3.399 6.597 1.00 0.24 C ATOM 1052 O ALA A 66 -8.764 -4.196 7.273 1.00 0.26 O ATOM 1053 CB ALA A 66 -7.946 -1.601 5.664 1.00 0.28 C ATOM 0 H ALA A 66 -9.956 -1.391 4.262 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.208 -3.543 4.825 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.145 -1.915 6.333 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.516 -1.194 4.749 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.548 -0.835 6.154 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.614 -2.985 6.906 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.403 -3.568 7.979 1.00 0.23 C ATOM 1061 C LYS A 67 -11.718 -5.038 7.687 1.00 0.24 C ATOM 1062 O LYS A 67 -11.569 -5.903 8.541 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.684 -2.741 8.118 1.00 0.26 C ATOM 1064 CG LYS A 67 -13.905 -3.498 8.591 1.00 0.38 C ATOM 1065 CD LYS A 67 -13.871 -3.724 10.091 1.00 0.41 C ATOM 1066 CE LYS A 67 -14.652 -2.645 10.822 1.00 0.72 C ATOM 1067 NZ LYS A 67 -16.116 -2.758 10.588 1.00 1.05 N ATOM 0 H LYS A 67 -11.087 -2.226 6.415 1.00 0.23 H new ATOM 0 HA LYS A 67 -10.845 -3.547 8.915 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.493 -1.924 8.814 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -12.910 -2.290 7.152 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.804 -2.942 8.326 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -13.961 -4.458 8.078 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.290 -4.703 10.324 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -12.838 -3.729 10.438 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -14.450 -2.713 11.891 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -14.308 -1.664 10.494 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.628 -2.279 11.356 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -16.358 -2.312 9.680 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -16.387 -3.762 10.564 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.141 -5.319 6.473 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.453 -6.681 6.071 1.00 0.23 C ATOM 1083 C ARG A 68 -11.164 -7.425 5.760 1.00 0.24 C ATOM 1084 O ARG A 68 -11.103 -8.647 5.807 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.395 -6.646 4.874 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.698 -5.944 5.210 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.310 -5.250 4.003 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.326 -4.269 4.404 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.242 -3.753 3.584 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.345 -4.189 2.334 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.076 -2.812 4.020 1.00 1.58 N ATOM 0 H ARG A 68 -12.278 -4.621 5.742 1.00 0.22 H new ATOM 0 HA ARG A 68 -12.956 -7.213 6.879 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -12.909 -6.135 4.043 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.604 -7.664 4.544 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.407 -6.670 5.606 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.520 -5.210 5.996 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.526 -4.751 3.433 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.760 -5.993 3.344 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.331 -3.961 5.376 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.721 -4.922 1.997 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.048 -3.791 1.711 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.015 -2.484 4.984 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -18.776 -2.419 3.390 1.00 1.58 H new ATOM 1105 N MET A 69 -10.132 -6.655 5.468 1.00 0.23 N ATOM 1106 CA MET A 69 -8.782 -7.171 5.337 1.00 0.26 C ATOM 1107 C MET A 69 -8.204 -7.478 6.719 1.00 0.18 C ATOM 1108 O MET A 69 -7.313 -8.309 6.849 1.00 0.19 O ATOM 1109 CB MET A 69 -7.894 -6.162 4.614 1.00 0.42 C ATOM 1110 CG MET A 69 -8.032 -6.140 3.092 1.00 0.60 C ATOM 1111 SD MET A 69 -7.256 -4.668 2.397 1.00 2.21 S ATOM 1112 CE MET A 69 -7.510 -4.917 0.649 1.00 3.06 C ATOM 0 H MET A 69 -10.207 -5.649 5.314 1.00 0.23 H new ATOM 0 HA MET A 69 -8.815 -8.090 4.751 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.118 -5.166 4.997 1.00 0.42 H new ATOM 0 HB3 MET A 69 -6.854 -6.373 4.865 1.00 0.42 H new ATOM 0 HG2 MET A 69 -7.572 -7.033 2.668 1.00 0.60 H new ATOM 0 HG3 MET A 69 -9.087 -6.164 2.818 1.00 0.60 H new ATOM 0 HE1 MET A 69 -6.697 -4.451 0.093 1.00 3.06 H new ATOM 0 HE2 MET A 69 -7.531 -5.985 0.433 1.00 3.06 H new ATOM 0 HE3 MET A 69 -8.457 -4.468 0.351 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.697 -6.794 7.758 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.301 -7.125 9.124 1.00 0.20 C ATOM 1124 C LYS A 70 -9.143 -8.289 9.619 1.00 0.19 C ATOM 1125 O LYS A 70 -8.763 -9.010 10.537 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.416 -5.936 10.093 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.769 -5.802 10.763 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.645 -5.286 12.187 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.946 -6.292 13.092 1.00 0.47 C ATOM 1130 NZ LYS A 70 -8.676 -5.730 14.440 1.00 0.75 N ATOM 0 H LYS A 70 -9.359 -6.022 7.679 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.246 -7.399 9.100 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.651 -6.036 10.863 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -8.202 -5.017 9.548 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.396 -5.124 10.184 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.269 -6.771 10.770 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -9.089 -4.349 12.187 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.637 -5.068 12.583 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.564 -7.185 13.188 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -8.007 -6.602 12.633 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.200 -6.446 15.025 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -8.065 -4.893 14.351 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -9.574 -5.458 14.889 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.295 -8.457 9.006 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.103 -9.634 9.236 1.00 0.23 C ATOM 1146 C VAL A 71 -10.500 -10.815 8.478 1.00 0.27 C ATOM 1147 O VAL A 71 -10.603 -11.970 8.894 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.568 -9.386 8.803 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.375 -10.678 8.790 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.219 -8.368 9.723 1.00 0.25 C ATOM 0 H VAL A 71 -10.693 -7.792 8.343 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.111 -9.863 10.302 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.554 -8.994 7.786 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.398 -10.465 8.481 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.924 -11.382 8.090 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.381 -11.113 9.789 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.249 -8.201 9.409 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.207 -8.743 10.747 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.668 -7.429 9.674 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.832 -10.502 7.379 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.216 -11.508 6.535 1.00 0.30 C ATOM 1162 C ILE A 72 -7.810 -11.897 7.039 1.00 0.29 C ATOM 1163 O ILE A 72 -7.489 -13.080 7.109 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.191 -11.024 5.052 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -10.024 -11.953 4.168 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.784 -10.881 4.501 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -11.502 -11.913 4.485 1.00 1.11 C ATOM 0 H ILE A 72 -9.703 -9.545 7.049 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.821 -12.413 6.586 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.634 -10.028 5.041 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -9.876 -11.679 3.124 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.662 -12.975 4.284 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.831 -10.542 3.466 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.232 -10.154 5.097 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.277 -11.845 4.544 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -12.035 -12.595 3.822 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -11.660 -12.216 5.520 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -11.878 -10.900 4.342 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.992 -10.910 7.421 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.605 -11.173 7.833 1.00 0.21 C ATOM 1181 C ASP A 73 -5.216 -10.350 9.063 1.00 0.22 C ATOM 1182 O ASP A 73 -4.123 -10.505 9.606 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.643 -10.852 6.681 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.215 -11.289 6.969 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.939 -12.505 6.938 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.364 -10.413 7.233 1.00 0.29 O ATOM 0 H ASP A 73 -7.262 -9.927 7.454 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.534 -12.229 8.092 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -4.993 -11.344 5.773 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.658 -9.779 6.489 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.128 -9.484 9.496 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.916 -8.588 10.642 1.00 0.35 C ATOM 1193 C GLU A 74 -4.990 -7.419 10.303 1.00 0.43 C ATOM 1194 O GLU A 74 -5.342 -6.278 10.538 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.408 -9.344 11.873 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.342 -8.481 13.121 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.840 -9.238 14.330 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -3.613 -9.416 14.456 1.00 0.92 O ATOM 1199 OE2 GLU A 74 -5.671 -9.659 15.157 1.00 1.00 O ATOM 0 H GLU A 74 -7.045 -9.379 9.061 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.893 -8.171 10.885 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.061 -10.196 12.063 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.416 -9.743 11.662 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.688 -7.629 12.934 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.333 -8.081 13.334 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.838 -7.702 9.723 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.831 -6.682 9.444 1.00 0.22 C ATOM 1208 C ASN A 75 -2.062 -7.069 8.201 1.00 0.19 C ATOM 1209 O ASN A 75 -0.872 -7.379 8.239 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.872 -6.481 10.629 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.415 -7.785 11.262 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -2.161 -8.243 12.253 1.00 0.41 O flip ATOM 1213 ND2 ASN A 75 -0.401 -8.368 10.877 1.00 0.37 N flip ATOM 0 H ASN A 75 -3.570 -8.642 9.431 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.341 -5.732 9.283 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -0.998 -5.924 10.290 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.364 -5.871 11.386 1.00 0.31 H new ATOM 0 HD21 ASN A 75 0.148 -7.983 10.109 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -0.110 -9.236 11.326 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.774 -7.037 7.095 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.222 -7.367 5.786 1.00 0.23 C ATOM 1222 C ILE A 76 -1.306 -6.232 5.295 1.00 0.21 C ATOM 1223 O ILE A 76 -0.929 -6.165 4.126 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.373 -7.667 4.784 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.830 -8.183 3.451 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.257 -6.451 4.574 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -2.172 -9.541 3.559 1.00 0.83 C ATOM 0 H ILE A 76 -3.761 -6.780 7.072 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.611 -8.267 5.863 1.00 0.23 H new ATOM 0 HB ILE A 76 -3.987 -8.453 5.222 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -3.646 -8.239 2.731 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -2.108 -7.467 3.059 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -5.051 -6.696 3.868 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.697 -6.152 5.526 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.659 -5.631 4.177 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.809 -9.848 2.578 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.335 -9.485 4.255 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -2.898 -10.269 3.922 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.928 -5.360 6.239 1.00 0.20 N ATOM 1240 CA ARG A 77 0.011 -4.263 6.011 1.00 0.19 C ATOM 1241 C ARG A 77 -0.618 -3.167 5.162 1.00 0.16 C ATOM 1242 O ARG A 77 -0.040 -2.733 4.168 1.00 0.16 O ATOM 1243 CB ARG A 77 1.296 -4.749 5.326 1.00 0.26 C ATOM 1244 CG ARG A 77 1.978 -5.927 6.001 1.00 0.31 C ATOM 1245 CD ARG A 77 2.424 -5.622 7.414 1.00 0.39 C ATOM 1246 NE ARG A 77 3.351 -6.636 7.911 1.00 0.74 N ATOM 1247 CZ ARG A 77 3.489 -6.969 9.195 1.00 1.32 C ATOM 1248 NH1 ARG A 77 2.777 -6.358 10.135 1.00 1.92 N ATOM 1249 NH2 ARG A 77 4.342 -7.924 9.535 1.00 1.62 N ATOM 0 H ARG A 77 -1.274 -5.401 7.198 1.00 0.20 H new ATOM 0 HA ARG A 77 0.264 -3.861 6.992 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.060 -5.025 4.298 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.001 -3.919 5.279 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.294 -6.775 6.017 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.843 -6.226 5.410 1.00 0.31 H new ATOM 0 HD2 ARG A 77 2.903 -4.643 7.443 1.00 0.39 H new ATOM 0 HD3 ARG A 77 1.554 -5.570 8.069 1.00 0.39 H new ATOM 0 HE ARG A 77 3.933 -7.123 7.229 1.00 0.74 H new ATOM 0 HH11 ARG A 77 2.116 -5.625 9.878 1.00 1.92 H new ATOM 0 HH12 ARG A 77 2.892 -6.622 11.114 1.00 1.92 H new ATOM 0 HH21 ARG A 77 4.888 -8.399 8.817 1.00 1.62 H new ATOM 0 HH22 ARG A 77 4.453 -8.184 10.515 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.805 -2.716 5.546 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.484 -1.676 4.774 1.00 0.17 C ATOM 1265 C VAL A 78 -1.809 -0.309 4.937 1.00 0.16 C ATOM 1266 O VAL A 78 -1.434 0.101 6.025 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.993 -1.571 5.113 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.620 -0.350 4.457 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.730 -2.825 4.677 1.00 0.35 C ATOM 0 H VAL A 78 -2.311 -3.043 6.369 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.400 -1.980 3.731 1.00 0.17 H new ATOM 0 HB VAL A 78 -4.081 -1.466 6.194 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.679 -0.303 4.713 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.120 0.551 4.813 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.511 -0.422 3.375 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.787 -2.730 4.924 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.619 -2.956 3.601 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -4.313 -3.690 5.193 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.633 0.363 3.824 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.126 1.710 3.808 1.00 0.14 C ATOM 1281 C ILE A 79 -2.105 2.591 3.053 1.00 0.12 C ATOM 1282 O ILE A 79 -2.093 2.675 1.829 1.00 0.18 O ATOM 1283 CB ILE A 79 0.284 1.768 3.199 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.237 0.942 4.071 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.768 3.209 3.076 1.00 0.24 C ATOM 1286 CD1 ILE A 79 2.625 0.790 3.504 1.00 0.45 C ATOM 0 H ILE A 79 -1.840 -0.014 2.899 1.00 0.13 H new ATOM 0 HA ILE A 79 -1.034 2.078 4.830 1.00 0.14 H new ATOM 0 HB ILE A 79 0.259 1.349 2.193 1.00 0.19 H new ATOM 0 HG12 ILE A 79 1.308 1.409 5.053 1.00 0.27 H new ATOM 0 HG13 ILE A 79 0.808 -0.049 4.219 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.768 3.221 2.642 1.00 0.24 H new ATOM 0 HG22 ILE A 79 0.087 3.768 2.434 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.795 3.669 4.064 1.00 0.24 H new ATOM 0 HD11 ILE A 79 3.232 0.193 4.184 1.00 0.45 H new ATOM 0 HD12 ILE A 79 2.570 0.294 2.535 1.00 0.45 H new ATOM 0 HD13 ILE A 79 3.078 1.774 3.382 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.998 3.198 3.803 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.089 3.957 3.226 1.00 0.15 C ATOM 1300 C ILE A 80 -3.678 5.390 2.935 1.00 0.16 C ATOM 1301 O ILE A 80 -3.230 6.115 3.818 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.336 3.907 4.133 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.233 5.133 3.924 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.935 3.765 5.598 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.387 5.188 4.889 1.00 0.22 C ATOM 0 H ILE A 80 -2.990 3.181 4.823 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.347 3.493 2.274 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.915 3.027 3.852 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.634 6.037 4.031 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.619 5.125 2.905 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.830 3.732 6.219 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.366 2.845 5.732 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.321 4.617 5.891 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.985 6.078 4.691 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -8.007 4.300 4.766 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -7.006 5.227 5.910 1.00 0.22 H new ATOM 1317 N MET A 81 -3.831 5.794 1.689 1.00 0.21 N ATOM 1318 CA MET A 81 -3.396 7.111 1.265 1.00 0.23 C ATOM 1319 C MET A 81 -4.522 8.124 1.426 1.00 0.20 C ATOM 1320 O MET A 81 -5.699 7.790 1.306 1.00 0.23 O ATOM 1321 CB MET A 81 -2.896 7.075 -0.181 1.00 0.32 C ATOM 1322 CG MET A 81 -1.781 6.064 -0.413 1.00 0.38 C ATOM 1323 SD MET A 81 -0.905 6.310 -1.969 1.00 0.63 S ATOM 1324 CE MET A 81 -2.225 6.059 -3.155 1.00 1.09 C ATOM 0 H MET A 81 -4.253 5.229 0.952 1.00 0.21 H new ATOM 0 HA MET A 81 -2.567 7.421 1.901 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.732 6.840 -0.840 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.540 8.067 -0.459 1.00 0.32 H new ATOM 0 HG2 MET A 81 -1.069 6.124 0.410 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.203 5.059 -0.397 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.820 6.109 -4.166 1.00 1.09 H new ATOM 0 HE2 MET A 81 -2.678 5.081 -2.994 1.00 1.09 H new ATOM 0 HE3 MET A 81 -2.981 6.834 -3.028 1.00 1.09 H new ATOM 1334 N THR A 82 -4.151 9.346 1.764 1.00 0.20 N ATOM 1335 CA THR A 82 -5.104 10.431 1.946 1.00 0.20 C ATOM 1336 C THR A 82 -4.613 11.672 1.231 1.00 0.19 C ATOM 1337 O THR A 82 -3.518 11.671 0.699 1.00 0.20 O ATOM 1338 CB THR A 82 -5.284 10.744 3.431 1.00 0.29 C ATOM 1339 OG1 THR A 82 -4.025 11.109 4.008 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.856 9.552 4.174 1.00 0.53 C ATOM 0 H THR A 82 -3.180 9.616 1.921 1.00 0.20 H new ATOM 0 HA THR A 82 -6.062 10.121 1.529 1.00 0.20 H new ATOM 0 HB THR A 82 -5.984 11.575 3.520 1.00 0.29 H new ATOM 0 HG1 THR A 82 -3.373 10.396 3.848 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.974 9.803 5.228 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.827 9.292 3.752 1.00 0.53 H new ATOM 0 HG23 THR A 82 -5.179 8.703 4.076 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.399 12.739 1.232 1.00 0.25 N ATOM 1349 CA ALA A 83 -4.962 14.004 0.642 1.00 0.25 C ATOM 1350 C ALA A 83 -3.939 14.688 1.552 1.00 0.28 C ATOM 1351 O ALA A 83 -3.975 15.903 1.745 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.161 14.908 0.398 1.00 0.31 C ATOM 0 H ALA A 83 -6.337 12.758 1.631 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.483 13.802 -0.316 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -5.825 15.847 -0.041 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -6.855 14.416 -0.284 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.663 15.109 1.344 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.017 13.875 2.077 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.018 14.268 3.077 1.00 0.45 C ATOM 1360 C TYR A 84 -2.650 14.696 4.403 1.00 0.61 C ATOM 1361 O TYR A 84 -2.163 14.342 5.477 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.081 15.350 2.526 1.00 0.47 C ATOM 1363 CG TYR A 84 0.019 15.745 3.489 1.00 0.94 C ATOM 1364 CD1 TYR A 84 1.213 15.040 3.533 1.00 1.82 C ATOM 1365 CD2 TYR A 84 -0.137 16.828 4.345 1.00 0.98 C ATOM 1366 CE1 TYR A 84 2.223 15.404 4.401 1.00 2.58 C ATOM 1367 CE2 TYR A 84 0.871 17.200 5.215 1.00 1.61 C ATOM 1368 CZ TYR A 84 2.026 16.460 5.274 1.00 2.42 C ATOM 1369 OH TYR A 84 3.062 16.849 6.098 1.00 3.19 O ATOM 0 H TYR A 84 -2.943 12.894 1.809 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.421 13.382 3.292 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.631 14.992 1.600 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.668 16.234 2.275 1.00 0.47 H new ATOM 0 HD1 TYR A 84 1.355 14.193 2.878 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -1.060 17.388 4.331 1.00 0.98 H new ATOM 0 HE1 TYR A 84 3.161 14.868 4.399 1.00 2.58 H new ATOM 0 HE2 TYR A 84 0.750 18.069 5.845 1.00 1.61 H new ATOM 0 HH TYR A 84 2.773 17.603 6.653 1.00 3.19 H new ATOM 1379 N GLY A 85 -3.740 15.424 4.321 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.402 15.919 5.508 1.00 0.62 C ATOM 1381 C GLY A 85 -5.886 15.633 5.492 1.00 0.62 C ATOM 1382 O GLY A 85 -6.660 16.298 6.173 1.00 0.75 O ATOM 0 H GLY A 85 -4.188 15.687 3.443 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -3.954 15.461 6.390 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -4.241 16.994 5.591 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.286 14.642 4.706 1.00 0.51 N ATOM 1387 CA GLU A 86 -7.686 14.237 4.651 1.00 0.53 C ATOM 1388 C GLU A 86 -8.047 13.466 5.916 1.00 0.51 C ATOM 1389 O GLU A 86 -8.663 14.011 6.828 1.00 0.59 O ATOM 1390 CB GLU A 86 -7.947 13.378 3.414 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.409 13.018 3.221 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.268 14.235 2.970 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -10.721 14.859 3.949 1.00 0.95 O ATOM 1394 OE2 GLU A 86 -10.466 14.586 1.788 1.00 1.12 O ATOM 0 H GLU A 86 -5.665 14.106 4.100 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.310 15.129 4.586 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.593 13.910 2.531 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.363 12.461 3.489 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.504 12.329 2.382 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.772 12.495 4.106 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.638 12.196 5.943 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.786 11.318 7.105 1.00 0.42 C ATOM 1403 C LEU A 87 -9.162 11.436 7.763 1.00 0.49 C ATOM 1404 O LEU A 87 -9.282 11.965 8.867 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.703 11.595 8.159 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.244 11.393 7.717 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -4.739 12.577 6.915 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.360 11.162 8.929 1.00 0.52 C ATOM 0 H LEU A 87 -7.189 11.743 5.147 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.675 10.303 6.723 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -6.816 12.624 8.501 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -6.891 10.951 9.018 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.205 10.515 7.073 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.705 12.401 6.619 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.355 12.703 6.025 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -4.793 13.479 7.524 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.329 11.020 8.605 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -4.417 12.026 9.591 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -4.699 10.274 9.462 1.00 0.52 H new ATOM 1420 N ASP A 88 -10.200 10.947 7.097 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.537 10.983 7.679 1.00 0.71 C ATOM 1422 C ASP A 88 -11.778 9.747 8.535 1.00 0.77 C ATOM 1423 O ASP A 88 -11.749 9.815 9.764 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.611 11.097 6.601 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.997 11.227 7.204 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.205 12.149 8.019 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.878 10.412 6.872 1.00 1.52 O ATOM 0 H ASP A 88 -10.146 10.527 6.169 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.600 11.869 8.311 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -12.405 11.963 5.972 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -12.575 10.219 5.957 1.00 0.91 H new ATOM 1432 N MET A 89 -11.981 8.612 7.883 1.00 0.63 N ATOM 1433 CA MET A 89 -12.164 7.344 8.583 1.00 0.55 C ATOM 1434 C MET A 89 -10.814 6.634 8.711 1.00 0.45 C ATOM 1435 O MET A 89 -10.723 5.414 8.917 1.00 0.47 O ATOM 1436 CB MET A 89 -13.181 6.485 7.836 1.00 0.73 C ATOM 1437 CG MET A 89 -14.008 5.625 8.764 1.00 0.82 C ATOM 1438 SD MET A 89 -15.260 4.653 7.904 1.00 1.55 S ATOM 1439 CE MET A 89 -16.044 3.832 9.289 1.00 2.18 C ATOM 0 H MET A 89 -12.024 8.541 6.866 1.00 0.63 H new ATOM 0 HA MET A 89 -12.551 7.523 9.586 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.843 7.131 7.259 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.658 5.846 7.124 1.00 0.73 H new ATOM 0 HG2 MET A 89 -13.347 4.952 9.311 1.00 0.82 H new ATOM 0 HG3 MET A 89 -14.495 6.262 9.502 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.978 3.377 8.961 1.00 2.18 H new ATOM 0 HE2 MET A 89 -15.380 3.059 9.677 1.00 2.18 H new ATOM 0 HE3 MET A 89 -16.251 4.560 10.074 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.765 7.443 8.607 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.388 6.982 8.679 1.00 0.31 C ATOM 1451 C ILE A 90 -8.096 6.240 9.981 1.00 0.27 C ATOM 1452 O ILE A 90 -7.354 5.258 9.992 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.422 8.190 8.537 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.505 7.987 7.340 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.606 8.429 9.807 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.656 6.743 7.438 1.00 0.42 C ATOM 0 H ILE A 90 -9.851 8.450 8.469 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.234 6.281 7.859 1.00 0.31 H new ATOM 0 HB ILE A 90 -8.029 9.081 8.377 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.109 7.935 6.434 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.854 8.855 7.240 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.945 9.283 9.660 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.280 8.631 10.640 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -6.010 7.544 10.029 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -5.027 6.661 6.552 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -5.026 6.801 8.326 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.301 5.867 7.508 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.699 6.705 11.060 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.356 6.240 12.393 1.00 0.31 C ATOM 1470 C GLN A 91 -8.632 4.751 12.534 1.00 0.31 C ATOM 1471 O GLN A 91 -7.748 3.978 12.913 1.00 0.32 O ATOM 1472 CB GLN A 91 -9.137 7.041 13.431 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.881 8.537 13.345 1.00 0.45 C ATOM 1474 CD GLN A 91 -9.818 9.339 14.226 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -10.268 8.863 15.267 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -10.119 10.559 13.814 1.00 2.10 N ATOM 0 H GLN A 91 -9.435 7.411 11.039 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.290 6.394 12.559 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -10.203 6.853 13.300 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.871 6.690 14.428 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -7.850 8.743 13.634 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.993 8.862 12.311 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -9.724 10.916 12.944 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -10.746 11.144 14.366 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.845 4.352 12.196 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.221 2.950 12.224 1.00 0.42 C ATOM 1487 C GLU A 92 -9.445 2.164 11.185 1.00 0.34 C ATOM 1488 O GLU A 92 -8.892 1.114 11.493 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.721 2.751 12.005 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.395 3.806 11.139 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.621 5.116 11.867 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.572 5.200 12.665 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -11.846 6.068 11.644 1.00 1.52 O ATOM 0 H GLU A 92 -10.589 4.982 11.898 1.00 0.38 H new ATOM 0 HA GLU A 92 -9.974 2.578 13.218 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.879 1.774 11.548 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.214 2.732 12.977 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.782 3.989 10.256 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.353 3.422 10.788 1.00 0.64 H new ATOM 1500 N SER A 93 -9.385 2.679 9.963 1.00 0.32 N ATOM 1501 CA SER A 93 -8.697 1.968 8.888 1.00 0.27 C ATOM 1502 C SER A 93 -7.244 1.629 9.255 1.00 0.21 C ATOM 1503 O SER A 93 -6.743 0.568 8.881 1.00 0.22 O ATOM 1504 CB SER A 93 -8.748 2.772 7.587 1.00 0.33 C ATOM 1505 OG SER A 93 -8.246 4.080 7.766 1.00 0.98 O ATOM 0 H SER A 93 -9.797 3.572 9.692 1.00 0.32 H new ATOM 0 HA SER A 93 -9.223 1.025 8.740 1.00 0.27 H new ATOM 0 HB2 SER A 93 -8.168 2.260 6.819 1.00 0.33 H new ATOM 0 HB3 SER A 93 -9.776 2.822 7.229 1.00 0.33 H new ATOM 0 HG SER A 93 -7.840 4.156 8.655 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.577 2.506 10.013 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.173 2.286 10.355 1.00 0.21 C ATOM 1513 C LYS A 94 -5.018 1.472 11.642 1.00 0.25 C ATOM 1514 O LYS A 94 -4.043 0.740 11.793 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.411 3.611 10.461 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.838 4.478 11.627 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.195 5.853 11.573 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.675 5.775 11.573 1.00 0.65 C ATOM 1519 NZ LYS A 94 -2.142 5.144 12.810 1.00 1.25 N ATOM 0 H LYS A 94 -6.981 3.361 10.395 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.738 1.705 9.542 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.346 3.399 10.551 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.548 4.171 9.536 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.923 4.584 11.623 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -4.569 3.987 12.562 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -4.531 6.375 10.677 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.527 6.442 12.428 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.343 5.205 10.705 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.262 6.779 11.473 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -1.104 5.205 12.811 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -2.519 5.640 13.643 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.431 4.145 12.842 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.969 1.591 12.568 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.903 0.821 13.813 1.00 0.44 C ATOM 1535 C GLU A 95 -6.360 -0.615 13.575 1.00 0.51 C ATOM 1536 O GLU A 95 -6.034 -1.521 14.341 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.761 1.456 14.909 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.250 1.464 14.603 1.00 0.44 C ATOM 1539 CD GLU A 95 -9.084 1.901 15.786 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -9.450 1.036 16.611 1.00 0.67 O ATOM 1541 OE2 GLU A 95 -9.372 3.110 15.904 1.00 0.85 O ATOM 0 H GLU A 95 -6.782 2.202 12.484 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.865 0.822 14.145 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.595 0.918 15.843 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.428 2.482 15.068 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.441 2.131 13.762 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.559 0.465 14.294 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.118 -0.800 12.504 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.685 -2.093 12.167 1.00 0.64 C ATOM 1550 C LEU A 96 -6.606 -3.120 11.854 1.00 0.93 C ATOM 1551 O LEU A 96 -6.714 -4.276 12.256 1.00 1.73 O ATOM 1552 CB LEU A 96 -8.643 -1.939 10.983 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.138 -2.061 11.313 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.408 -1.727 12.772 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -10.954 -1.141 10.426 1.00 0.40 C ATOM 0 H LEU A 96 -7.356 -0.058 11.846 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.235 -2.460 13.034 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.470 -0.966 10.524 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.392 -2.693 10.237 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.432 -3.095 11.131 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.475 -1.822 12.976 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.854 -2.414 13.411 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.089 -0.705 12.976 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.011 -1.240 10.673 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -10.640 -0.109 10.585 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -10.799 -1.411 9.381 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.557 -2.700 11.167 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.527 -3.640 10.776 1.00 0.69 C ATOM 1569 C GLY A 97 -3.602 -3.088 9.719 1.00 0.61 C ATOM 1570 O GLY A 97 -2.563 -3.672 9.409 1.00 0.88 O ATOM 0 H GLY A 97 -5.400 -1.736 10.875 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -3.943 -3.918 11.654 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -4.995 -4.551 10.403 1.00 0.69 H new ATOM 1574 N ALA A 98 -4.017 -1.993 9.126 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.159 -1.223 8.246 1.00 0.27 C ATOM 1576 C ALA A 98 -1.844 -0.890 8.941 1.00 0.19 C ATOM 1577 O ALA A 98 -1.831 -0.567 10.128 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.852 0.066 7.844 1.00 0.26 C ATOM 0 H ALA A 98 -4.955 -1.609 9.237 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.953 -1.821 7.358 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.201 0.638 7.183 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.782 -0.167 7.325 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.072 0.654 8.735 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.748 -0.987 8.212 1.00 0.18 N ATOM 1585 CA LEU A 99 0.534 -0.535 8.728 1.00 0.23 C ATOM 1586 C LEU A 99 0.469 0.942 9.076 1.00 0.26 C ATOM 1587 O LEU A 99 0.967 1.360 10.120 1.00 0.39 O ATOM 1588 CB LEU A 99 1.670 -0.763 7.721 1.00 0.51 C ATOM 1589 CG LEU A 99 2.096 -2.199 7.510 1.00 0.60 C ATOM 1590 CD1 LEU A 99 3.334 -2.239 6.626 1.00 1.27 C ATOM 1591 CD2 LEU A 99 2.373 -2.868 8.843 1.00 1.26 C ATOM 0 H LEU A 99 -0.717 -1.371 7.268 1.00 0.18 H new ATOM 0 HA LEU A 99 0.745 -1.122 9.622 1.00 0.23 H new ATOM 0 HB2 LEU A 99 1.363 -0.352 6.759 1.00 0.51 H new ATOM 0 HB3 LEU A 99 2.539 -0.192 8.049 1.00 0.51 H new ATOM 0 HG LEU A 99 1.290 -2.743 7.017 1.00 0.60 H new ATOM 0 HD11 LEU A 99 3.640 -3.274 6.475 1.00 1.27 H new ATOM 0 HD12 LEU A 99 3.108 -1.783 5.662 1.00 1.27 H new ATOM 0 HD13 LEU A 99 4.142 -1.688 7.107 1.00 1.27 H new ATOM 0 HD21 LEU A 99 2.678 -3.901 8.675 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.170 -2.333 9.360 1.00 1.26 H new ATOM 0 HD23 LEU A 99 1.470 -2.851 9.453 1.00 1.26 H new ATOM 1603 N THR A 100 -0.145 1.730 8.198 1.00 0.23 N ATOM 1604 CA THR A 100 -0.254 3.163 8.424 1.00 0.28 C ATOM 1605 C THR A 100 -0.961 3.837 7.254 1.00 0.24 C ATOM 1606 O THR A 100 -1.591 3.175 6.428 1.00 0.25 O ATOM 1607 CB THR A 100 1.140 3.811 8.636 1.00 0.36 C ATOM 1608 OG1 THR A 100 0.997 5.180 9.053 1.00 0.42 O ATOM 1609 CG2 THR A 100 1.977 3.746 7.359 1.00 0.34 C ATOM 0 H THR A 100 -0.571 1.402 7.331 1.00 0.23 H new ATOM 0 HA THR A 100 -0.841 3.307 9.331 1.00 0.28 H new ATOM 0 HB THR A 100 1.654 3.249 9.416 1.00 0.36 H new ATOM 0 HG1 THR A 100 1.884 5.576 9.185 1.00 0.42 H new ATOM 0 HG21 THR A 100 2.948 4.207 7.537 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.117 2.705 7.069 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.463 4.279 6.559 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.868 5.155 7.201 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.451 5.915 6.120 1.00 0.28 C ATOM 1619 C HIS A 101 -0.369 6.629 5.318 1.00 0.27 C ATOM 1620 O HIS A 101 0.696 6.961 5.835 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.476 6.932 6.649 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.890 8.199 7.202 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.629 9.302 6.418 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.539 8.547 8.463 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -1.146 10.269 7.170 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -1.083 9.841 8.416 1.00 0.92 N ATOM 0 H HIS A 101 -0.389 5.720 7.902 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.969 5.216 5.464 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -3.160 7.189 5.840 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -3.070 6.454 7.428 1.00 0.32 H new ATOM 0 HD1 HIS A 101 -1.786 9.360 5.412 1.00 1.12 H new ATOM 0 HD2 HIS A 101 -1.605 7.923 9.342 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.851 11.249 6.824 1.00 0.93 H new ATOM 1635 N PHE A 102 -0.668 6.856 4.055 1.00 0.25 N ATOM 1636 CA PHE A 102 0.182 7.629 3.167 1.00 0.24 C ATOM 1637 C PHE A 102 -0.616 8.818 2.663 1.00 0.20 C ATOM 1638 O PHE A 102 -1.641 9.197 3.248 1.00 0.21 O ATOM 1639 CB PHE A 102 0.650 6.771 1.986 1.00 0.30 C ATOM 1640 CG PHE A 102 2.101 6.954 1.647 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.538 8.124 1.054 1.00 0.99 C ATOM 1642 CD2 PHE A 102 3.026 5.961 1.922 1.00 0.85 C ATOM 1643 CE1 PHE A 102 3.869 8.299 0.742 1.00 1.33 C ATOM 1644 CE2 PHE A 102 4.360 6.131 1.610 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.784 7.282 1.019 1.00 1.29 C ATOM 0 H PHE A 102 -1.516 6.506 3.610 1.00 0.25 H new ATOM 0 HA PHE A 102 1.067 7.968 3.706 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.469 5.721 2.216 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.048 7.014 1.110 1.00 0.30 H new ATOM 0 HD1 PHE A 102 1.829 8.909 0.833 1.00 0.99 H new ATOM 0 HD2 PHE A 102 2.700 5.042 2.386 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.203 9.219 0.285 1.00 1.33 H new ATOM 0 HE2 PHE A 102 5.070 5.349 1.835 1.00 1.13 H new ATOM 0 HZ PHE A 102 5.826 7.408 0.765 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.168 9.392 1.579 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.836 10.522 0.989 1.00 0.23 C ATOM 1657 C ALA A 103 -0.881 10.354 -0.514 1.00 0.31 C ATOM 1658 O ALA A 103 0.097 9.944 -1.107 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.122 11.814 1.370 1.00 0.34 C ATOM 0 H ALA A 103 0.669 9.091 1.080 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.857 10.577 1.366 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -0.637 12.661 0.917 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.124 11.925 2.454 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.907 11.781 1.011 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.028 10.627 -1.108 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.151 10.711 -2.554 1.00 0.33 C ATOM 1667 C LYS A 104 -1.147 11.757 -3.104 1.00 0.40 C ATOM 1668 O LYS A 104 -0.552 11.551 -4.159 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.607 11.059 -2.918 1.00 0.32 C ATOM 1670 CG LYS A 104 -4.008 10.714 -4.341 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.406 11.681 -5.338 1.00 0.93 C ATOM 1672 CE LYS A 104 -3.838 11.364 -6.753 1.00 1.15 C ATOM 1673 NZ LYS A 104 -3.297 12.356 -7.712 1.00 2.18 N ATOM 0 H LYS A 104 -2.899 10.797 -0.605 1.00 0.26 H new ATOM 0 HA LYS A 104 -1.909 9.753 -3.013 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.273 10.537 -2.231 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.761 12.127 -2.761 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -3.684 9.700 -4.575 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -5.094 10.730 -4.428 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -3.705 12.698 -5.085 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -2.319 11.643 -5.272 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.496 10.366 -7.026 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -4.926 11.354 -6.811 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -3.609 12.114 -8.674 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -3.644 13.304 -7.463 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -2.258 12.346 -7.672 1.00 2.18 H new ATOM 1687 N PRO A 105 -0.948 12.904 -2.397 1.00 0.39 N ATOM 1688 CA PRO A 105 0.155 13.844 -2.688 1.00 0.50 C ATOM 1689 C PRO A 105 1.564 13.257 -2.452 1.00 0.66 C ATOM 1690 O PRO A 105 2.540 14.007 -2.351 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.073 15.000 -1.701 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.469 14.855 -1.197 1.00 0.60 C ATOM 1693 CD PRO A 105 -1.835 13.415 -1.337 1.00 0.35 C ATOM 0 HA PRO A 105 0.136 14.124 -3.741 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.643 14.956 -0.880 1.00 0.51 H new ATOM 0 HB3 PRO A 105 0.064 15.963 -2.193 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -1.538 15.171 -0.156 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -2.152 15.484 -1.767 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -1.685 12.876 -0.402 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -2.884 13.298 -1.608 1.00 0.35 H new ATOM 1701 N PHE A 106 1.666 11.934 -2.327 1.00 0.50 N ATOM 1702 CA PHE A 106 2.958 11.249 -2.162 1.00 0.65 C ATOM 1703 C PHE A 106 3.974 11.593 -3.255 1.00 0.35 C ATOM 1704 O PHE A 106 3.644 12.188 -4.287 1.00 0.68 O ATOM 1705 CB PHE A 106 2.764 9.725 -2.159 1.00 1.19 C ATOM 1706 CG PHE A 106 2.275 9.154 -3.470 1.00 2.49 C ATOM 1707 CD1 PHE A 106 3.164 8.839 -4.483 1.00 3.00 C ATOM 1708 CD2 PHE A 106 0.924 8.936 -3.687 1.00 3.26 C ATOM 1709 CE1 PHE A 106 2.718 8.316 -5.681 1.00 4.24 C ATOM 1710 CE2 PHE A 106 0.473 8.414 -4.881 1.00 4.50 C ATOM 1711 CZ PHE A 106 1.380 8.103 -5.882 1.00 4.99 C ATOM 0 H PHE A 106 0.863 11.305 -2.337 1.00 0.50 H new ATOM 0 HA PHE A 106 3.353 11.599 -1.208 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.711 9.251 -1.901 1.00 1.19 H new ATOM 0 HB3 PHE A 106 2.053 9.463 -1.375 1.00 1.19 H new ATOM 0 HD1 PHE A 106 4.221 9.004 -4.335 1.00 3.00 H new ATOM 0 HD2 PHE A 106 0.214 9.178 -2.910 1.00 3.26 H new ATOM 0 HE1 PHE A 106 3.425 8.075 -6.461 1.00 4.24 H new ATOM 0 HE2 PHE A 106 -0.583 8.248 -5.036 1.00 4.50 H new ATOM 0 HZ PHE A 106 1.032 7.693 -6.819 1.00 4.99 H new ATOM 1721 N ASP A 107 5.220 11.204 -3.004 1.00 0.40 N ATOM 1722 CA ASP A 107 6.255 11.195 -4.029 1.00 0.37 C ATOM 1723 C ASP A 107 6.423 9.773 -4.526 1.00 0.47 C ATOM 1724 O ASP A 107 6.148 8.830 -3.790 1.00 0.66 O ATOM 1725 CB ASP A 107 7.593 11.659 -3.465 1.00 0.45 C ATOM 1726 CG ASP A 107 8.549 12.117 -4.545 1.00 1.16 C ATOM 1727 OD1 ASP A 107 8.485 13.300 -4.937 1.00 1.63 O ATOM 1728 OD2 ASP A 107 9.378 11.301 -5.000 1.00 1.67 O ATOM 0 H ASP A 107 5.539 10.888 -2.088 1.00 0.40 H new ATOM 0 HA ASP A 107 5.956 11.870 -4.831 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.424 12.476 -2.763 1.00 0.45 H new ATOM 0 HB3 ASP A 107 8.049 10.844 -2.902 1.00 0.45 H new ATOM 1733 N ILE A 108 6.880 9.604 -5.749 1.00 0.48 N ATOM 1734 CA ILE A 108 7.151 8.274 -6.256 1.00 0.58 C ATOM 1735 C ILE A 108 8.290 7.634 -5.460 1.00 0.50 C ATOM 1736 O ILE A 108 8.134 6.574 -4.857 1.00 0.44 O ATOM 1737 CB ILE A 108 7.516 8.311 -7.747 1.00 0.75 C ATOM 1738 CG1 ILE A 108 6.353 8.883 -8.565 1.00 0.70 C ATOM 1739 CG2 ILE A 108 7.886 6.925 -8.234 1.00 1.04 C ATOM 1740 CD1 ILE A 108 6.588 8.855 -10.061 1.00 1.13 C ATOM 0 H ILE A 108 7.070 10.362 -6.405 1.00 0.48 H new ATOM 0 HA ILE A 108 6.246 7.678 -6.141 1.00 0.58 H new ATOM 0 HB ILE A 108 8.381 8.961 -7.880 1.00 0.75 H new ATOM 0 HG12 ILE A 108 5.449 8.319 -8.338 1.00 0.70 H new ATOM 0 HG13 ILE A 108 6.173 9.912 -8.254 1.00 0.70 H new ATOM 0 HG21 ILE A 108 8.142 6.968 -9.293 1.00 1.04 H new ATOM 0 HG22 ILE A 108 8.742 6.557 -7.668 1.00 1.04 H new ATOM 0 HG23 ILE A 108 7.041 6.252 -8.092 1.00 1.04 H new ATOM 0 HD11 ILE A 108 5.723 9.276 -10.573 1.00 1.13 H new ATOM 0 HD12 ILE A 108 7.473 9.444 -10.301 1.00 1.13 H new ATOM 0 HD13 ILE A 108 6.737 7.826 -10.387 1.00 1.13 H new ATOM 1752 N ASP A 109 9.421 8.312 -5.423 1.00 0.49 N ATOM 1753 CA ASP A 109 10.581 7.840 -4.680 1.00 0.42 C ATOM 1754 C ASP A 109 10.232 7.684 -3.203 1.00 0.34 C ATOM 1755 O ASP A 109 10.743 6.795 -2.529 1.00 0.30 O ATOM 1756 CB ASP A 109 11.729 8.832 -4.856 1.00 0.46 C ATOM 1757 CG ASP A 109 13.017 8.393 -4.189 1.00 0.98 C ATOM 1758 OD1 ASP A 109 13.803 7.677 -4.832 1.00 1.88 O ATOM 1759 OD2 ASP A 109 13.262 8.786 -3.032 1.00 0.89 O ATOM 0 H ASP A 109 9.565 9.201 -5.903 1.00 0.49 H new ATOM 0 HA ASP A 109 10.887 6.866 -5.063 1.00 0.42 H new ATOM 0 HB2 ASP A 109 11.912 8.978 -5.921 1.00 0.46 H new ATOM 0 HB3 ASP A 109 11.429 9.798 -4.449 1.00 0.46 H new ATOM 1764 N GLU A 110 9.315 8.519 -2.731 1.00 0.35 N ATOM 1765 CA GLU A 110 8.886 8.487 -1.341 1.00 0.35 C ATOM 1766 C GLU A 110 7.938 7.322 -1.104 1.00 0.33 C ATOM 1767 O GLU A 110 7.925 6.738 -0.022 1.00 0.34 O ATOM 1768 CB GLU A 110 8.222 9.824 -0.973 1.00 0.49 C ATOM 1769 CG GLU A 110 7.377 9.810 0.295 1.00 0.62 C ATOM 1770 CD GLU A 110 6.699 11.142 0.531 1.00 1.15 C ATOM 1771 OE1 GLU A 110 5.740 11.463 -0.202 1.00 1.68 O ATOM 1772 OE2 GLU A 110 7.098 11.860 1.473 1.00 1.71 O ATOM 0 H GLU A 110 8.852 9.231 -3.296 1.00 0.35 H new ATOM 0 HA GLU A 110 9.756 8.344 -0.700 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.001 10.578 -0.861 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.592 10.138 -1.805 1.00 0.49 H new ATOM 0 HG2 GLU A 110 6.623 9.026 0.221 1.00 0.62 H new ATOM 0 HG3 GLU A 110 8.008 9.566 1.150 1.00 0.62 H new ATOM 1779 N ILE A 111 7.176 6.953 -2.127 1.00 0.34 N ATOM 1780 CA ILE A 111 6.208 5.884 -1.978 1.00 0.33 C ATOM 1781 C ILE A 111 6.934 4.544 -1.898 1.00 0.28 C ATOM 1782 O ILE A 111 6.667 3.740 -1.000 1.00 0.27 O ATOM 1783 CB ILE A 111 5.137 5.886 -3.104 1.00 0.36 C ATOM 1784 CG1 ILE A 111 3.890 5.155 -2.623 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.637 5.257 -4.395 1.00 0.69 C ATOM 1786 CD1 ILE A 111 2.939 6.023 -1.839 1.00 1.06 C ATOM 0 H ILE A 111 7.211 7.374 -3.055 1.00 0.34 H new ATOM 0 HA ILE A 111 5.663 6.051 -1.049 1.00 0.33 H new ATOM 0 HB ILE A 111 4.905 6.927 -3.327 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.365 4.745 -3.486 1.00 0.61 H new ATOM 0 HG13 ILE A 111 4.192 4.311 -2.003 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.846 5.287 -5.144 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.502 5.811 -4.758 1.00 0.69 H new ATOM 0 HG23 ILE A 111 5.921 4.221 -4.209 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.076 5.432 -1.531 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.446 6.412 -0.956 1.00 1.06 H new ATOM 0 HD13 ILE A 111 2.606 6.853 -2.462 1.00 1.06 H new ATOM 1798 N ARG A 112 7.898 4.334 -2.797 1.00 0.27 N ATOM 1799 CA ARG A 112 8.690 3.116 -2.776 1.00 0.24 C ATOM 1800 C ARG A 112 9.542 3.078 -1.521 1.00 0.22 C ATOM 1801 O ARG A 112 9.613 2.053 -0.855 1.00 0.22 O ATOM 1802 CB ARG A 112 9.573 2.972 -4.027 1.00 0.23 C ATOM 1803 CG ARG A 112 10.490 4.161 -4.294 1.00 0.23 C ATOM 1804 CD ARG A 112 11.375 3.920 -5.509 1.00 0.23 C ATOM 1805 NE ARG A 112 12.242 5.057 -5.810 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.281 4.999 -6.647 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.671 3.847 -7.166 1.00 1.16 N ATOM 1808 NH2 ARG A 112 13.979 6.088 -6.916 1.00 1.39 N ATOM 0 H ARG A 112 8.143 4.989 -3.540 1.00 0.27 H new ATOM 0 HA ARG A 112 7.999 2.273 -2.775 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.183 2.075 -3.924 1.00 0.23 H new ATOM 0 HB3 ARG A 112 8.930 2.823 -4.895 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.890 5.057 -4.452 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.113 4.345 -3.419 1.00 0.23 H new ATOM 0 HD2 ARG A 112 11.989 3.036 -5.337 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.747 3.708 -6.374 1.00 0.23 H new ATOM 0 HE ARG A 112 12.042 5.947 -5.354 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.176 2.987 -6.928 1.00 1.16 H new ATOM 0 HH12 ARG A 112 14.466 3.818 -7.804 1.00 1.16 H new ATOM 0 HH21 ARG A 112 13.725 6.976 -6.484 1.00 1.39 H new ATOM 0 HH22 ARG A 112 14.772 6.040 -7.556 1.00 1.39 H new ATOM 1822 N ASP A 113 10.151 4.212 -1.182 1.00 0.23 N ATOM 1823 CA ASP A 113 11.042 4.286 -0.031 1.00 0.24 C ATOM 1824 C ASP A 113 10.307 3.952 1.257 1.00 0.25 C ATOM 1825 O ASP A 113 10.728 3.082 2.023 1.00 0.26 O ATOM 1826 CB ASP A 113 11.656 5.684 0.074 1.00 0.28 C ATOM 1827 CG ASP A 113 12.492 5.865 1.329 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.699 5.551 1.296 1.00 0.58 O ATOM 1829 OD2 ASP A 113 11.942 6.312 2.360 1.00 0.43 O ATOM 0 H ASP A 113 10.043 5.091 -1.689 1.00 0.23 H new ATOM 0 HA ASP A 113 11.834 3.552 -0.175 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.278 5.870 -0.802 1.00 0.28 H new ATOM 0 HB3 ASP A 113 10.859 6.428 0.063 1.00 0.28 H new ATOM 1834 N ALA A 114 9.175 4.601 1.465 1.00 0.26 N ATOM 1835 CA ALA A 114 8.439 4.436 2.701 1.00 0.28 C ATOM 1836 C ALA A 114 7.925 3.013 2.849 1.00 0.28 C ATOM 1837 O ALA A 114 8.136 2.388 3.884 1.00 0.32 O ATOM 1838 CB ALA A 114 7.300 5.432 2.792 1.00 0.35 C ATOM 0 H ALA A 114 8.749 5.243 0.797 1.00 0.26 H new ATOM 0 HA ALA A 114 9.126 4.631 3.524 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.763 5.287 3.730 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.699 6.446 2.756 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.617 5.281 1.956 1.00 0.35 H new ATOM 1844 N VAL A 115 7.281 2.482 1.811 1.00 0.27 N ATOM 1845 CA VAL A 115 6.704 1.147 1.913 1.00 0.29 C ATOM 1846 C VAL A 115 7.785 0.074 1.996 1.00 0.30 C ATOM 1847 O VAL A 115 7.575 -0.960 2.622 1.00 0.35 O ATOM 1848 CB VAL A 115 5.743 0.809 0.757 1.00 0.34 C ATOM 1849 CG1 VAL A 115 4.660 1.867 0.645 1.00 0.37 C ATOM 1850 CG2 VAL A 115 6.490 0.641 -0.557 1.00 0.33 C ATOM 0 H VAL A 115 7.148 2.944 0.911 1.00 0.27 H new ATOM 0 HA VAL A 115 6.124 1.156 2.836 1.00 0.29 H new ATOM 0 HB VAL A 115 5.267 -0.146 0.979 1.00 0.34 H new ATOM 0 HG11 VAL A 115 3.989 1.615 -0.176 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.095 1.909 1.576 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.118 2.838 0.454 1.00 0.37 H new ATOM 0 HG21 VAL A 115 5.782 0.403 -1.350 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.010 1.567 -0.801 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.214 -0.168 -0.463 1.00 0.33 H new ATOM 1860 N LYS A 116 8.944 0.326 1.388 1.00 0.29 N ATOM 1861 CA LYS A 116 10.025 -0.653 1.397 1.00 0.33 C ATOM 1862 C LYS A 116 10.752 -0.617 2.730 1.00 0.32 C ATOM 1863 O LYS A 116 11.502 -1.524 3.062 1.00 0.40 O ATOM 1864 CB LYS A 116 10.999 -0.395 0.246 1.00 0.44 C ATOM 1865 CG LYS A 116 12.128 0.561 0.567 1.00 0.50 C ATOM 1866 CD LYS A 116 12.588 1.260 -0.699 1.00 0.70 C ATOM 1867 CE LYS A 116 13.955 1.880 -0.538 1.00 0.97 C ATOM 1868 NZ LYS A 116 14.475 2.392 -1.834 1.00 1.48 N ATOM 0 H LYS A 116 9.155 1.190 0.889 1.00 0.29 H new ATOM 0 HA LYS A 116 9.595 -1.645 1.260 1.00 0.33 H new ATOM 0 HB2 LYS A 116 11.427 -1.347 -0.068 1.00 0.44 H new ATOM 0 HB3 LYS A 116 10.439 -0.001 -0.603 1.00 0.44 H new ATOM 0 HG2 LYS A 116 11.796 1.297 1.299 1.00 0.50 H new ATOM 0 HG3 LYS A 116 12.960 0.018 1.016 1.00 0.50 H new ATOM 0 HD2 LYS A 116 12.609 0.544 -1.521 1.00 0.70 H new ATOM 0 HD3 LYS A 116 11.869 2.033 -0.968 1.00 0.70 H new ATOM 0 HE2 LYS A 116 13.903 2.696 0.183 1.00 0.97 H new ATOM 0 HE3 LYS A 116 14.646 1.141 -0.134 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 15.514 2.336 -1.838 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 14.095 1.817 -2.612 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 14.181 3.382 -1.959 1.00 1.48 H new ATOM 1882 N LYS A 117 10.554 0.454 3.479 1.00 0.28 N ATOM 1883 CA LYS A 117 11.064 0.520 4.838 1.00 0.31 C ATOM 1884 C LYS A 117 9.980 0.098 5.831 1.00 0.33 C ATOM 1885 O LYS A 117 10.175 0.148 7.045 1.00 0.46 O ATOM 1886 CB LYS A 117 11.568 1.925 5.142 1.00 0.39 C ATOM 1887 CG LYS A 117 12.667 2.377 4.191 1.00 0.55 C ATOM 1888 CD LYS A 117 13.876 1.451 4.236 1.00 1.00 C ATOM 1889 CE LYS A 117 14.674 1.614 5.520 1.00 1.77 C ATOM 1890 NZ LYS A 117 15.186 3.001 5.689 1.00 2.58 N ATOM 0 H LYS A 117 10.047 1.284 3.172 1.00 0.28 H new ATOM 0 HA LYS A 117 11.901 -0.171 4.937 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.734 2.625 5.085 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.943 1.958 6.165 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.275 2.413 3.175 1.00 0.55 H new ATOM 0 HG3 LYS A 117 12.976 3.390 4.449 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.544 0.417 4.145 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.520 1.655 3.381 1.00 1.00 H new ATOM 0 HE2 LYS A 117 14.046 1.354 6.372 1.00 1.77 H new ATOM 0 HE3 LYS A 117 15.512 0.917 5.517 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 16.186 2.970 5.973 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 15.098 3.516 4.790 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 14.633 3.488 6.422 1.00 2.58 H new ATOM 1904 N TYR A 118 8.836 -0.305 5.295 1.00 0.29 N ATOM 1905 CA TYR A 118 7.746 -0.852 6.097 1.00 0.37 C ATOM 1906 C TYR A 118 7.633 -2.349 5.884 1.00 0.39 C ATOM 1907 O TYR A 118 7.840 -3.136 6.806 1.00 0.50 O ATOM 1908 CB TYR A 118 6.428 -0.178 5.742 1.00 0.41 C ATOM 1909 CG TYR A 118 6.104 1.014 6.614 1.00 0.48 C ATOM 1910 CD1 TYR A 118 6.624 2.267 6.320 1.00 0.54 C ATOM 1911 CD2 TYR A 118 5.272 0.894 7.717 1.00 0.63 C ATOM 1912 CE1 TYR A 118 6.330 3.365 7.104 1.00 0.63 C ATOM 1913 CE2 TYR A 118 4.973 1.983 8.508 1.00 0.71 C ATOM 1914 CZ TYR A 118 5.517 3.191 8.237 1.00 0.67 C ATOM 1915 OH TYR A 118 5.199 4.305 8.981 1.00 0.77 O ATOM 0 H TYR A 118 8.636 -0.263 4.296 1.00 0.29 H new ATOM 0 HA TYR A 118 7.966 -0.659 7.147 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.462 0.143 4.701 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.622 -0.908 5.824 1.00 0.41 H new ATOM 0 HD1 TYR A 118 7.270 2.385 5.463 1.00 0.54 H new ATOM 0 HD2 TYR A 118 4.851 -0.070 7.961 1.00 0.63 H new ATOM 0 HE1 TYR A 118 6.718 4.341 6.851 1.00 0.63 H new ATOM 0 HE2 TYR A 118 4.302 1.871 9.347 1.00 0.71 H new ATOM 0 HH TYR A 118 4.631 4.043 9.735 1.00 0.77 H new ATOM 1925 N LEU A 119 7.292 -2.735 4.666 1.00 0.33 N ATOM 1926 CA LEU A 119 7.360 -4.129 4.274 1.00 0.36 C ATOM 1927 C LEU A 119 8.499 -4.279 3.282 1.00 0.39 C ATOM 1928 O LEU A 119 8.340 -4.040 2.085 1.00 0.40 O ATOM 1929 CB LEU A 119 6.036 -4.630 3.672 1.00 0.37 C ATOM 1930 CG LEU A 119 5.890 -6.157 3.589 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.513 -6.699 2.309 1.00 1.15 C ATOM 1932 CD2 LEU A 119 6.522 -6.821 4.811 1.00 1.37 C ATOM 0 H LEU A 119 6.966 -2.103 3.935 1.00 0.33 H new ATOM 0 HA LEU A 119 7.539 -4.742 5.157 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.213 -4.234 4.267 1.00 0.37 H new ATOM 0 HB3 LEU A 119 5.932 -4.216 2.669 1.00 0.37 H new ATOM 0 HG LEU A 119 4.826 -6.393 3.573 1.00 0.59 H new ATOM 0 HD11 LEU A 119 6.395 -7.782 2.277 1.00 1.15 H new ATOM 0 HD12 LEU A 119 6.017 -6.254 1.446 1.00 1.15 H new ATOM 0 HD13 LEU A 119 7.574 -6.449 2.286 1.00 1.15 H new ATOM 0 HD21 LEU A 119 6.410 -7.903 4.736 1.00 1.37 H new ATOM 0 HD22 LEU A 119 7.581 -6.568 4.855 1.00 1.37 H new ATOM 0 HD23 LEU A 119 6.026 -6.466 5.715 1.00 1.37 H new ATOM 1944 N PRO A 120 9.677 -4.643 3.784 1.00 0.48 N ATOM 1945 CA PRO A 120 10.875 -4.756 2.999 1.00 0.56 C ATOM 1946 C PRO A 120 11.185 -6.186 2.588 1.00 0.53 C ATOM 1947 O PRO A 120 11.110 -7.116 3.393 1.00 0.61 O ATOM 1948 CB PRO A 120 11.940 -4.227 3.961 1.00 0.68 C ATOM 1949 CG PRO A 120 11.332 -4.297 5.333 1.00 0.67 C ATOM 1950 CD PRO A 120 9.975 -4.931 5.174 1.00 0.55 C ATOM 0 HA PRO A 120 10.806 -4.217 2.054 1.00 0.56 H new ATOM 0 HB2 PRO A 120 12.848 -4.827 3.906 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.219 -3.204 3.710 1.00 0.68 H new ATOM 0 HG2 PRO A 120 11.958 -4.886 6.004 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.245 -3.302 5.769 1.00 0.67 H new ATOM 0 HD2 PRO A 120 9.998 -6.002 5.374 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.238 -4.496 5.849 1.00 0.55 H new ATOM 1958 N LEU A 121 11.538 -6.353 1.331 1.00 0.57 N ATOM 1959 CA LEU A 121 11.895 -7.665 0.814 1.00 0.49 C ATOM 1960 C LEU A 121 13.146 -7.598 -0.054 1.00 0.53 C ATOM 1961 O LEU A 121 13.779 -8.621 -0.304 1.00 0.56 O ATOM 1962 CB LEU A 121 10.736 -8.288 0.029 1.00 0.50 C ATOM 1963 CG LEU A 121 10.087 -7.392 -1.027 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.637 -8.210 -2.227 1.00 1.11 C ATOM 1965 CD2 LEU A 121 8.899 -6.644 -0.431 1.00 1.31 C ATOM 0 H LEU A 121 11.587 -5.599 0.645 1.00 0.57 H new ATOM 0 HA LEU A 121 12.109 -8.302 1.672 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.099 -9.191 -0.462 1.00 0.50 H new ATOM 0 HB3 LEU A 121 9.967 -8.597 0.737 1.00 0.50 H new ATOM 0 HG LEU A 121 10.830 -6.668 -1.361 1.00 0.69 H new ATOM 0 HD11 LEU A 121 9.178 -7.552 -2.965 1.00 1.11 H new ATOM 0 HD12 LEU A 121 10.499 -8.709 -2.671 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.911 -8.957 -1.906 1.00 1.11 H new ATOM 0 HD21 LEU A 121 8.448 -6.011 -1.195 1.00 1.31 H new ATOM 0 HD22 LEU A 121 8.161 -7.361 -0.071 1.00 1.31 H new ATOM 0 HD23 LEU A 121 9.238 -6.025 0.400 1.00 1.31 H new