USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 26 GLN : amide:sc= 1.09 K(o=2.3,f=-8.8!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 179:sc= 1.21 (180deg=-0.00053) USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= -0.152 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -157:sc= -0.16 (180deg=-0.0342) USER MOD Single : A 5 ASN : amide:sc= -2.07 K(o=-2.1,f=-5.1!) USER MOD Single : A 14 ASN : amide:sc= -0.0361 K(o=-0.036,f=-0.83) USER MOD Single : A 16 HIS : no HD1:sc= 0.576 K(o=0.58,f=-5.5!) USER MOD Single : A 20 THR OG1 : rot 57:sc= 0.785 USER MOD Single : A 23 GLN : amide:sc= -0.796 K(o=-0.8,f=-1.4!) USER MOD Single : A 33 ASN : amide:sc= -0.35 K(o=-0.35,f=-6.4!) USER MOD Single : A 36 SER OG : rot 143:sc= 1.05 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 0.997 (180deg=0.194!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 52 THR OG1 : rot 83:sc= 0.0265 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.12) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.15) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.33 (180deg=0.26) USER MOD Single : A 70 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.16) USER MOD Single : A 75 MET CE :methyl -144:sc= -0.284 (180deg=-1.24) USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.971) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0059 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 1.33 (180deg=1.26) USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= 1.71 (180deg=1.51) USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -0.0798 (180deg=-0.422) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 -5.297 6.087 11.207 1.00 0.54 N ATOM 29 CA THR A 3 -4.392 5.130 10.593 1.00 0.49 C ATOM 30 C THR A 3 -4.928 3.709 10.704 1.00 0.44 C ATOM 31 O THR A 3 -5.332 3.268 11.782 1.00 0.46 O ATOM 32 CB THR A 3 -2.993 5.234 11.248 1.00 0.50 C ATOM 33 OG1 THR A 3 -2.365 6.448 10.811 1.00 0.75 O ATOM 34 CG2 THR A 3 -2.095 4.037 10.898 1.00 0.62 C ATOM 0 HA THR A 3 -4.310 5.369 9.533 1.00 0.49 H new ATOM 0 HB THR A 3 -3.127 5.234 12.330 1.00 0.50 H new ATOM 0 HG1 THR A 3 -1.479 6.524 11.222 1.00 0.75 H new ATOM 0 HG21 THR A 3 -1.125 4.156 11.381 1.00 0.62 H new ATOM 0 HG22 THR A 3 -2.563 3.117 11.247 1.00 0.62 H new ATOM 0 HG23 THR A 3 -1.959 3.988 9.818 1.00 0.62 H new ATOM 42 N ARG A 4 -4.965 3.001 9.574 1.00 0.42 N ATOM 43 CA ARG A 4 -5.434 1.631 9.563 1.00 0.40 C ATOM 44 C ARG A 4 -4.247 0.677 9.419 1.00 0.40 C ATOM 45 O ARG A 4 -3.376 0.843 8.552 1.00 0.43 O ATOM 46 CB ARG A 4 -6.485 1.378 8.459 1.00 0.40 C ATOM 47 CG ARG A 4 -6.005 1.597 7.033 1.00 0.37 C ATOM 48 CD ARG A 4 -7.018 1.058 6.028 1.00 0.39 C ATOM 49 NE ARG A 4 -6.778 1.556 4.669 1.00 0.36 N ATOM 50 CZ ARG A 4 -7.577 1.308 3.622 1.00 0.36 C ATOM 51 NH1 ARG A 4 -8.630 0.506 3.742 1.00 0.38 N ATOM 52 NH2 ARG A 4 -7.308 1.848 2.441 1.00 0.40 N ATOM 0 H ARG A 4 -4.676 3.359 8.664 1.00 0.42 H new ATOM 0 HA ARG A 4 -5.932 1.443 10.514 1.00 0.40 H new ATOM 0 HB2 ARG A 4 -6.841 0.352 8.550 1.00 0.40 H new ATOM 0 HB3 ARG A 4 -7.340 2.030 8.640 1.00 0.40 H new ATOM 0 HG2 ARG A 4 -5.845 2.661 6.859 1.00 0.37 H new ATOM 0 HG3 ARG A 4 -5.045 1.102 6.888 1.00 0.37 H new ATOM 0 HD2 ARG A 4 -6.978 -0.031 6.025 1.00 0.39 H new ATOM 0 HD3 ARG A 4 -8.023 1.339 6.343 1.00 0.39 H new ATOM 0 HE ARG A 4 -5.949 2.128 4.511 1.00 0.36 H new ATOM 0 HH11 ARG A 4 -8.839 0.070 4.640 1.00 0.38 H new ATOM 0 HH12 ARG A 4 -9.229 0.327 2.936 1.00 0.38 H new ATOM 0 HH21 ARG A 4 -6.493 2.452 2.330 1.00 0.40 H new ATOM 0 HH22 ARG A 4 -7.916 1.660 1.644 1.00 0.40 H new ATOM 66 N ASN A 5 -4.194 -0.285 10.302 1.00 0.39 N ATOM 67 CA ASN A 5 -3.120 -1.259 10.281 1.00 0.40 C ATOM 68 C ASN A 5 -3.516 -2.444 9.425 1.00 0.37 C ATOM 69 O ASN A 5 -4.673 -2.593 9.045 1.00 0.37 O ATOM 70 CB ASN A 5 -2.777 -1.724 11.695 1.00 0.43 C ATOM 71 CG ASN A 5 -2.326 -0.590 12.602 1.00 0.47 C ATOM 72 OD1 ASN A 5 -1.162 -0.207 12.604 1.00 0.55 O ATOM 73 ND2 ASN A 5 -3.245 -0.043 13.383 1.00 0.53 N ATOM 0 H ASN A 5 -4.878 -0.420 11.046 1.00 0.39 H new ATOM 0 HA ASN A 5 -2.235 -0.787 9.854 1.00 0.40 H new ATOM 0 HB2 ASN A 5 -3.650 -2.207 12.134 1.00 0.43 H new ATOM 0 HB3 ASN A 5 -1.989 -2.475 11.643 1.00 0.43 H new ATOM 0 HD21 ASN A 5 -2.992 0.721 14.010 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -4.206 -0.385 13.357 1.00 0.53 H new ATOM 80 N PHE A 6 -2.546 -3.272 9.101 1.00 0.36 N ATOM 81 CA PHE A 6 -2.793 -4.454 8.303 1.00 0.34 C ATOM 82 C PHE A 6 -2.103 -5.645 8.954 1.00 0.35 C ATOM 83 O PHE A 6 -0.926 -5.571 9.290 1.00 0.37 O ATOM 84 CB PHE A 6 -2.275 -4.251 6.866 1.00 0.33 C ATOM 85 CG PHE A 6 -3.139 -3.351 6.011 1.00 0.33 C ATOM 86 CD1 PHE A 6 -2.959 -1.967 6.000 1.00 0.34 C ATOM 87 CD2 PHE A 6 -4.129 -3.892 5.204 1.00 0.32 C ATOM 88 CE1 PHE A 6 -3.746 -1.159 5.203 1.00 0.35 C ATOM 89 CE2 PHE A 6 -4.916 -3.083 4.410 1.00 0.33 C ATOM 90 CZ PHE A 6 -4.725 -1.717 4.410 1.00 0.34 C ATOM 0 H PHE A 6 -1.573 -3.147 9.380 1.00 0.36 H new ATOM 0 HA PHE A 6 -3.866 -4.640 8.251 1.00 0.34 H new ATOM 0 HB2 PHE A 6 -1.269 -3.833 6.911 1.00 0.33 H new ATOM 0 HB3 PHE A 6 -2.194 -5.224 6.381 1.00 0.33 H new ATOM 0 HD1 PHE A 6 -2.196 -1.523 6.622 1.00 0.34 H new ATOM 0 HD2 PHE A 6 -4.286 -4.961 5.197 1.00 0.32 H new ATOM 0 HE1 PHE A 6 -3.594 -0.090 5.201 1.00 0.35 H new ATOM 0 HE2 PHE A 6 -5.683 -3.520 3.788 1.00 0.33 H new ATOM 0 HZ PHE A 6 -5.342 -1.085 3.789 1.00 0.34 H new ATOM 100 N VAL A 7 -2.816 -6.750 9.102 1.00 0.34 N ATOM 101 CA VAL A 7 -2.247 -7.925 9.749 1.00 0.36 C ATOM 102 C VAL A 7 -2.014 -9.014 8.718 1.00 0.35 C ATOM 103 O VAL A 7 -2.927 -9.775 8.382 1.00 0.33 O ATOM 104 CB VAL A 7 -3.146 -8.466 10.888 1.00 0.38 C ATOM 105 CG1 VAL A 7 -2.285 -8.731 12.141 1.00 0.42 C ATOM 106 CG2 VAL A 7 -4.271 -7.455 11.225 1.00 0.40 C ATOM 0 H VAL A 7 -3.780 -6.860 8.787 1.00 0.34 H new ATOM 0 HA VAL A 7 -1.301 -7.623 10.198 1.00 0.36 H new ATOM 0 HB VAL A 7 -3.608 -9.396 10.559 1.00 0.38 H new ATOM 0 HG11 VAL A 7 -2.917 -9.112 12.943 1.00 0.42 H new ATOM 0 HG12 VAL A 7 -1.516 -9.466 11.905 1.00 0.42 H new ATOM 0 HG13 VAL A 7 -1.813 -7.802 12.461 1.00 0.42 H new ATOM 0 HG21 VAL A 7 -4.891 -7.855 12.028 1.00 0.40 H new ATOM 0 HG22 VAL A 7 -3.829 -6.511 11.544 1.00 0.40 H new ATOM 0 HG23 VAL A 7 -4.886 -7.287 10.341 1.00 0.40 H new ATOM 116 N LEU A 8 -0.787 -9.078 8.222 1.00 0.37 N ATOM 117 CA LEU A 8 -0.404 -10.038 7.192 1.00 0.37 C ATOM 118 C LEU A 8 -0.423 -11.478 7.703 1.00 0.38 C ATOM 119 O LEU A 8 0.118 -11.788 8.765 1.00 0.41 O ATOM 120 CB LEU A 8 0.995 -9.694 6.659 1.00 0.40 C ATOM 121 CG LEU A 8 1.641 -10.754 5.758 1.00 0.42 C ATOM 122 CD1 LEU A 8 1.355 -10.468 4.291 1.00 0.47 C ATOM 123 CD2 LEU A 8 3.141 -10.819 5.997 1.00 0.66 C ATOM 0 H LEU A 8 -0.027 -8.467 8.521 1.00 0.37 H new ATOM 0 HA LEU A 8 -1.139 -9.968 6.390 1.00 0.37 H new ATOM 0 HB2 LEU A 8 0.932 -8.759 6.102 1.00 0.40 H new ATOM 0 HB3 LEU A 8 1.654 -9.515 7.509 1.00 0.40 H new ATOM 0 HG LEU A 8 1.205 -11.720 6.012 1.00 0.42 H new ATOM 0 HD11 LEU A 8 1.824 -11.234 3.673 1.00 0.47 H new ATOM 0 HD12 LEU A 8 0.278 -10.475 4.122 1.00 0.47 H new ATOM 0 HD13 LEU A 8 1.758 -9.491 4.026 1.00 0.47 H new ATOM 0 HD21 LEU A 8 3.580 -11.577 5.348 1.00 0.66 H new ATOM 0 HD22 LEU A 8 3.587 -9.849 5.776 1.00 0.66 H new ATOM 0 HD23 LEU A 8 3.333 -11.078 7.038 1.00 0.66 H new ATOM 135 N ARG A 9 -1.063 -12.350 6.941 1.00 0.37 N ATOM 136 CA ARG A 9 -1.138 -13.758 7.280 1.00 0.39 C ATOM 137 C ARG A 9 -0.382 -14.567 6.231 1.00 0.41 C ATOM 138 O ARG A 9 -0.192 -14.101 5.109 1.00 0.42 O ATOM 139 CB ARG A 9 -2.598 -14.210 7.385 1.00 0.39 C ATOM 140 CG ARG A 9 -2.772 -15.687 7.679 1.00 0.44 C ATOM 141 CD ARG A 9 -4.229 -16.035 7.914 1.00 0.45 C ATOM 142 NE ARG A 9 -4.591 -15.902 9.327 1.00 0.50 N ATOM 143 CZ ARG A 9 -5.765 -16.263 9.841 1.00 0.57 C ATOM 144 NH1 ARG A 9 -6.729 -16.723 9.054 1.00 0.68 N ATOM 145 NH2 ARG A 9 -5.969 -16.170 11.150 1.00 0.64 N ATOM 0 H ARG A 9 -1.542 -12.102 6.075 1.00 0.37 H new ATOM 0 HA ARG A 9 -0.675 -13.924 8.253 1.00 0.39 H new ATOM 0 HB2 ARG A 9 -3.089 -13.635 8.170 1.00 0.39 H new ATOM 0 HB3 ARG A 9 -3.108 -13.975 6.451 1.00 0.39 H new ATOM 0 HG2 ARG A 9 -2.386 -16.274 6.845 1.00 0.44 H new ATOM 0 HG3 ARG A 9 -2.185 -15.957 8.557 1.00 0.44 H new ATOM 0 HD2 ARG A 9 -4.862 -15.383 7.312 1.00 0.45 H new ATOM 0 HD3 ARG A 9 -4.418 -17.056 7.583 1.00 0.45 H new ATOM 0 HE ARG A 9 -3.896 -15.506 9.960 1.00 0.50 H new ATOM 0 HH11 ARG A 9 -6.573 -16.802 8.049 1.00 0.68 H new ATOM 0 HH12 ARG A 9 -7.626 -16.998 9.454 1.00 0.68 H new ATOM 0 HH21 ARG A 9 -5.227 -15.823 11.758 1.00 0.64 H new ATOM 0 HH22 ARG A 9 -6.867 -16.446 11.547 1.00 0.64 H new ATOM 159 N ASP A 10 0.044 -15.765 6.601 1.00 0.43 N ATOM 160 CA ASP A 10 0.801 -16.626 5.705 1.00 0.45 C ATOM 161 C ASP A 10 -0.110 -17.495 4.869 1.00 0.46 C ATOM 162 O ASP A 10 -1.032 -16.999 4.217 1.00 0.43 O ATOM 163 CB ASP A 10 1.789 -17.472 6.509 1.00 0.51 C ATOM 164 CG ASP A 10 2.944 -17.973 5.665 1.00 0.52 C ATOM 165 OD1 ASP A 10 3.926 -17.219 5.488 1.00 0.65 O ATOM 166 OD2 ASP A 10 2.870 -19.115 5.174 1.00 0.60 O ATOM 0 H ASP A 10 -0.124 -16.166 7.524 1.00 0.43 H new ATOM 0 HA ASP A 10 1.361 -15.996 5.014 1.00 0.45 H new ATOM 0 HB2 ASP A 10 2.178 -16.881 7.338 1.00 0.51 H new ATOM 0 HB3 ASP A 10 1.264 -18.323 6.943 1.00 0.51 H new ATOM 171 N GLU A 11 0.117 -18.785 4.916 1.00 0.50 N ATOM 172 CA GLU A 11 -0.640 -19.701 4.107 1.00 0.53 C ATOM 173 C GLU A 11 -1.325 -20.761 4.968 1.00 0.58 C ATOM 174 O GLU A 11 -2.426 -21.213 4.665 1.00 0.61 O ATOM 175 CB GLU A 11 0.306 -20.356 3.109 1.00 0.54 C ATOM 176 CG GLU A 11 -0.205 -20.387 1.680 1.00 0.58 C ATOM 177 CD GLU A 11 -1.422 -21.268 1.503 1.00 0.67 C ATOM 178 OE1 GLU A 11 -1.307 -22.500 1.671 1.00 0.93 O ATOM 179 OE2 GLU A 11 -2.501 -20.730 1.177 1.00 0.66 O ATOM 0 H GLU A 11 0.823 -19.223 5.509 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.423 -19.156 3.580 1.00 0.53 H new ATOM 0 HB2 GLU A 11 1.258 -19.826 3.129 1.00 0.54 H new ATOM 0 HB3 GLU A 11 0.504 -21.378 3.433 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -0.450 -19.372 1.366 1.00 0.58 H new ATOM 0 HG3 GLU A 11 0.590 -20.740 1.024 1.00 0.58 H new ATOM 186 N ASP A 12 -0.669 -21.122 6.064 1.00 0.62 N ATOM 187 CA ASP A 12 -1.168 -22.141 6.987 1.00 0.69 C ATOM 188 C ASP A 12 -2.149 -21.560 8.003 1.00 0.66 C ATOM 189 O ASP A 12 -2.586 -22.256 8.924 1.00 0.69 O ATOM 190 CB ASP A 12 0.006 -22.788 7.735 1.00 0.78 C ATOM 191 CG ASP A 12 1.009 -21.767 8.252 1.00 0.77 C ATOM 192 OD1 ASP A 12 0.684 -20.558 8.274 1.00 0.72 O ATOM 193 OD2 ASP A 12 2.133 -22.169 8.631 1.00 0.98 O ATOM 0 H ASP A 12 0.226 -20.717 6.341 1.00 0.62 H new ATOM 0 HA ASP A 12 -1.696 -22.887 6.393 1.00 0.69 H new ATOM 0 HB2 ASP A 12 -0.379 -23.369 8.573 1.00 0.78 H new ATOM 0 HB3 ASP A 12 0.515 -23.486 7.070 1.00 0.78 H new ATOM 198 N GLY A 13 -2.487 -20.292 7.850 1.00 0.61 N ATOM 199 CA GLY A 13 -3.409 -19.663 8.775 1.00 0.60 C ATOM 200 C GLY A 13 -2.687 -18.929 9.881 1.00 0.58 C ATOM 201 O GLY A 13 -3.307 -18.319 10.751 1.00 0.62 O ATOM 0 H GLY A 13 -2.142 -19.686 7.105 1.00 0.61 H new ATOM 0 HA2 GLY A 13 -4.047 -18.965 8.233 1.00 0.60 H new ATOM 0 HA3 GLY A 13 -4.062 -20.421 9.208 1.00 0.60 H new ATOM 205 N ASN A 14 -1.369 -18.994 9.839 1.00 0.59 N ATOM 206 CA ASN A 14 -0.537 -18.327 10.826 1.00 0.60 C ATOM 207 C ASN A 14 -0.309 -16.884 10.408 1.00 0.55 C ATOM 208 O ASN A 14 0.123 -16.616 9.287 1.00 0.55 O ATOM 209 CB ASN A 14 0.797 -19.062 10.971 1.00 0.65 C ATOM 210 CG ASN A 14 0.660 -20.353 11.784 1.00 0.71 C ATOM 211 OD1 ASN A 14 -0.065 -20.384 12.781 1.00 0.86 O ATOM 212 ND2 ASN A 14 1.330 -21.434 11.373 1.00 0.80 N ATOM 0 H ASN A 14 -0.848 -19.506 9.127 1.00 0.59 H new ATOM 0 HA ASN A 14 -1.042 -18.338 11.792 1.00 0.60 H new ATOM 0 HB2 ASN A 14 1.190 -19.297 9.982 1.00 0.65 H new ATOM 0 HB3 ASN A 14 1.521 -18.406 11.454 1.00 0.65 H new ATOM 0 HD21 ASN A 14 1.248 -22.311 11.887 1.00 0.80 H new ATOM 0 HD22 ASN A 14 1.923 -21.382 10.545 1.00 0.80 H new ATOM 219 N GLU A 15 -0.624 -15.952 11.287 1.00 0.54 N ATOM 220 CA GLU A 15 -0.436 -14.547 10.977 1.00 0.52 C ATOM 221 C GLU A 15 0.948 -14.090 11.422 1.00 0.52 C ATOM 222 O GLU A 15 1.423 -14.452 12.503 1.00 0.56 O ATOM 223 CB GLU A 15 -1.551 -13.694 11.592 1.00 0.53 C ATOM 224 CG GLU A 15 -1.889 -14.056 13.030 1.00 0.55 C ATOM 225 CD GLU A 15 -3.364 -14.362 13.210 1.00 0.76 C ATOM 226 OE1 GLU A 15 -3.828 -15.403 12.697 1.00 1.08 O ATOM 227 OE2 GLU A 15 -4.072 -13.559 13.853 1.00 1.49 O ATOM 0 H GLU A 15 -1.008 -16.139 12.213 1.00 0.54 H new ATOM 0 HA GLU A 15 -0.497 -14.414 9.897 1.00 0.52 H new ATOM 0 HB2 GLU A 15 -1.255 -12.646 11.553 1.00 0.53 H new ATOM 0 HB3 GLU A 15 -2.449 -13.795 10.983 1.00 0.53 H new ATOM 0 HG2 GLU A 15 -1.300 -14.922 13.333 1.00 0.55 H new ATOM 0 HG3 GLU A 15 -1.607 -13.233 13.686 1.00 0.55 H new ATOM 234 N HIS A 16 1.588 -13.300 10.577 1.00 0.51 N ATOM 235 CA HIS A 16 2.936 -12.819 10.851 1.00 0.54 C ATOM 236 C HIS A 16 2.902 -11.498 11.617 1.00 0.52 C ATOM 237 O HIS A 16 2.268 -11.400 12.669 1.00 0.57 O ATOM 238 CB HIS A 16 3.728 -12.659 9.545 1.00 0.58 C ATOM 239 CG HIS A 16 4.153 -13.958 8.931 1.00 0.66 C ATOM 240 ND1 HIS A 16 5.195 -14.718 9.416 1.00 0.88 N ATOM 241 CD2 HIS A 16 3.669 -14.633 7.859 1.00 0.73 C ATOM 242 CE1 HIS A 16 5.332 -15.800 8.674 1.00 0.95 C ATOM 243 NE2 HIS A 16 4.421 -15.772 7.722 1.00 0.82 N ATOM 0 H HIS A 16 1.197 -12.976 9.693 1.00 0.51 H new ATOM 0 HA HIS A 16 3.437 -13.560 11.474 1.00 0.54 H new ATOM 0 HB2 HIS A 16 3.119 -12.111 8.827 1.00 0.58 H new ATOM 0 HB3 HIS A 16 4.613 -12.053 9.740 1.00 0.58 H new ATOM 0 HD2 HIS A 16 2.845 -14.330 7.230 1.00 0.73 H new ATOM 0 HE1 HIS A 16 6.067 -16.578 8.822 1.00 0.95 H new ATOM 0 HE2 HIS A 16 4.296 -16.482 7.001 1.00 0.82 H new ATOM 252 N GLY A 17 3.585 -10.493 11.088 1.00 0.51 N ATOM 253 CA GLY A 17 3.621 -9.198 11.732 1.00 0.54 C ATOM 254 C GLY A 17 2.426 -8.342 11.372 1.00 0.50 C ATOM 255 O GLY A 17 1.472 -8.807 10.739 1.00 0.48 O ATOM 0 H GLY A 17 4.117 -10.553 10.220 1.00 0.51 H new ATOM 0 HA2 GLY A 17 3.655 -9.334 12.813 1.00 0.54 H new ATOM 0 HA3 GLY A 17 4.536 -8.679 11.447 1.00 0.54 H new ATOM 259 N VAL A 18 2.490 -7.080 11.749 1.00 0.51 N ATOM 260 CA VAL A 18 1.410 -6.153 11.481 1.00 0.49 C ATOM 261 C VAL A 18 1.952 -4.816 10.984 1.00 0.49 C ATOM 262 O VAL A 18 2.858 -4.238 11.587 1.00 0.51 O ATOM 263 CB VAL A 18 0.526 -5.944 12.740 1.00 0.51 C ATOM 264 CG1 VAL A 18 1.362 -5.429 13.917 1.00 0.57 C ATOM 265 CG2 VAL A 18 -0.627 -4.982 12.441 1.00 0.51 C ATOM 0 H VAL A 18 3.283 -6.672 12.244 1.00 0.51 H new ATOM 0 HA VAL A 18 0.789 -6.586 10.697 1.00 0.49 H new ATOM 0 HB VAL A 18 0.105 -6.910 13.018 1.00 0.51 H new ATOM 0 HG11 VAL A 18 0.720 -5.291 14.787 1.00 0.57 H new ATOM 0 HG12 VAL A 18 2.142 -6.153 14.153 1.00 0.57 H new ATOM 0 HG13 VAL A 18 1.820 -4.477 13.649 1.00 0.57 H new ATOM 0 HG21 VAL A 18 -1.233 -4.851 13.337 1.00 0.51 H new ATOM 0 HG22 VAL A 18 -0.225 -4.018 12.130 1.00 0.51 H new ATOM 0 HG23 VAL A 18 -1.245 -5.392 11.642 1.00 0.51 H new ATOM 275 N PHE A 19 1.439 -4.364 9.847 1.00 0.47 N ATOM 276 CA PHE A 19 1.848 -3.095 9.273 1.00 0.48 C ATOM 277 C PHE A 19 1.099 -1.961 9.966 1.00 0.47 C ATOM 278 O PHE A 19 0.088 -2.205 10.619 1.00 0.47 O ATOM 279 CB PHE A 19 1.590 -3.084 7.763 1.00 0.47 C ATOM 280 CG PHE A 19 2.273 -4.214 7.039 1.00 0.48 C ATOM 281 CD1 PHE A 19 3.660 -4.300 6.995 1.00 0.51 C ATOM 282 CD2 PHE A 19 1.529 -5.198 6.411 1.00 0.52 C ATOM 283 CE1 PHE A 19 4.281 -5.344 6.336 1.00 0.56 C ATOM 284 CE2 PHE A 19 2.148 -6.242 5.754 1.00 0.56 C ATOM 285 CZ PHE A 19 3.525 -6.315 5.716 1.00 0.56 C ATOM 0 H PHE A 19 0.735 -4.863 9.304 1.00 0.47 H new ATOM 0 HA PHE A 19 2.918 -2.954 9.428 1.00 0.48 H new ATOM 0 HB2 PHE A 19 0.516 -3.142 7.583 1.00 0.47 H new ATOM 0 HB3 PHE A 19 1.932 -2.136 7.349 1.00 0.47 H new ATOM 0 HD1 PHE A 19 4.258 -3.543 7.481 1.00 0.51 H new ATOM 0 HD2 PHE A 19 0.450 -5.148 6.435 1.00 0.52 H new ATOM 0 HE1 PHE A 19 5.359 -5.399 6.307 1.00 0.56 H new ATOM 0 HE2 PHE A 19 1.554 -7.002 5.269 1.00 0.56 H new ATOM 0 HZ PHE A 19 4.010 -7.132 5.201 1.00 0.56 H new ATOM 295 N THR A 20 1.567 -0.730 9.793 1.00 0.47 N ATOM 296 CA THR A 20 0.953 0.427 10.450 1.00 0.47 C ATOM 297 C THR A 20 0.863 1.616 9.483 1.00 0.47 C ATOM 298 O THR A 20 1.506 2.642 9.700 1.00 0.47 O ATOM 299 CB THR A 20 1.804 0.858 11.691 1.00 0.49 C ATOM 300 OG1 THR A 20 3.098 1.299 11.252 1.00 0.51 O ATOM 301 CG2 THR A 20 2.005 -0.274 12.711 1.00 0.51 C ATOM 0 H THR A 20 2.369 -0.504 9.205 1.00 0.47 H new ATOM 0 HA THR A 20 -0.049 0.138 10.766 1.00 0.47 H new ATOM 0 HB THR A 20 1.250 1.657 12.184 1.00 0.49 H new ATOM 0 HG1 THR A 20 2.993 2.028 10.605 1.00 0.51 H new ATOM 0 HG21 THR A 20 2.603 0.091 13.546 1.00 0.51 H new ATOM 0 HG22 THR A 20 1.035 -0.609 13.078 1.00 0.51 H new ATOM 0 HG23 THR A 20 2.520 -1.107 12.233 1.00 0.51 H new ATOM 309 N GLY A 21 0.094 1.487 8.405 1.00 0.48 N ATOM 310 CA GLY A 21 0.007 2.584 7.460 1.00 0.51 C ATOM 311 C GLY A 21 -1.412 2.952 7.107 1.00 0.46 C ATOM 312 O GLY A 21 -2.225 3.231 7.990 1.00 0.50 O ATOM 0 H GLY A 21 -0.459 0.662 8.173 1.00 0.48 H new ATOM 0 HA2 GLY A 21 0.508 3.457 7.879 1.00 0.51 H new ATOM 0 HA3 GLY A 21 0.543 2.315 6.550 1.00 0.51 H new ATOM 316 N LYS A 22 -1.712 2.981 5.813 1.00 0.40 N ATOM 317 CA LYS A 22 -3.048 3.319 5.363 1.00 0.38 C ATOM 318 C LYS A 22 -3.255 2.963 3.904 1.00 0.36 C ATOM 319 O LYS A 22 -4.299 2.429 3.534 1.00 0.42 O ATOM 320 CB LYS A 22 -3.309 4.817 5.539 1.00 0.45 C ATOM 321 CG LYS A 22 -4.234 5.158 6.694 1.00 0.90 C ATOM 322 CD LYS A 22 -4.622 6.627 6.680 1.00 1.62 C ATOM 323 CE LYS A 22 -3.413 7.536 6.845 1.00 1.99 C ATOM 324 NZ LYS A 22 -2.768 7.407 8.184 1.00 2.07 N ATOM 0 H LYS A 22 -1.050 2.775 5.065 1.00 0.40 H new ATOM 0 HA LYS A 22 -3.744 2.741 5.971 1.00 0.38 H new ATOM 0 HB2 LYS A 22 -2.356 5.325 5.690 1.00 0.45 H new ATOM 0 HB3 LYS A 22 -3.738 5.210 4.617 1.00 0.45 H new ATOM 0 HG2 LYS A 22 -5.132 4.543 6.637 1.00 0.90 H new ATOM 0 HG3 LYS A 22 -3.743 4.919 7.638 1.00 0.90 H new ATOM 0 HD2 LYS A 22 -5.126 6.860 5.742 1.00 1.62 H new ATOM 0 HD3 LYS A 22 -5.334 6.822 7.482 1.00 1.62 H new ATOM 0 HE2 LYS A 22 -2.682 7.303 6.071 1.00 1.99 H new ATOM 0 HE3 LYS A 22 -3.719 8.571 6.693 1.00 1.99 H new ATOM 0 HZ1 LYS A 22 -2.231 8.272 8.396 1.00 2.07 H new ATOM 0 HZ2 LYS A 22 -3.500 7.267 8.910 1.00 2.07 H new ATOM 0 HZ3 LYS A 22 -2.123 6.591 8.181 1.00 2.07 H new ATOM 338 N GLN A 23 -2.271 3.279 3.073 1.00 0.30 N ATOM 339 CA GLN A 23 -2.368 3.010 1.648 1.00 0.31 C ATOM 340 C GLN A 23 -2.045 1.548 1.329 1.00 0.29 C ATOM 341 O GLN A 23 -0.913 1.094 1.506 1.00 0.31 O ATOM 342 CB GLN A 23 -1.451 3.960 0.875 1.00 0.33 C ATOM 343 CG GLN A 23 -2.126 5.271 0.469 1.00 0.62 C ATOM 344 CD GLN A 23 -3.311 5.638 1.353 1.00 0.42 C ATOM 345 OE1 GLN A 23 -4.433 5.189 1.124 1.00 0.57 O ATOM 346 NE2 GLN A 23 -3.074 6.455 2.372 1.00 0.44 N ATOM 0 H GLN A 23 -1.398 3.721 3.362 1.00 0.30 H new ATOM 0 HA GLN A 23 -3.397 3.185 1.335 1.00 0.31 H new ATOM 0 HB2 GLN A 23 -0.577 4.186 1.487 1.00 0.33 H new ATOM 0 HB3 GLN A 23 -1.091 3.454 -0.021 1.00 0.33 H new ATOM 0 HG2 GLN A 23 -1.392 6.076 0.505 1.00 0.62 H new ATOM 0 HG3 GLN A 23 -2.463 5.193 -0.565 1.00 0.62 H new ATOM 0 HE21 GLN A 23 -2.131 6.809 2.533 1.00 0.44 H new ATOM 0 HE22 GLN A 23 -3.835 6.729 2.994 1.00 0.44 H new ATOM 355 N PRO A 24 -3.052 0.799 0.837 1.00 0.27 N ATOM 356 CA PRO A 24 -2.916 -0.626 0.494 1.00 0.27 C ATOM 357 C PRO A 24 -1.866 -0.898 -0.577 1.00 0.26 C ATOM 358 O PRO A 24 -1.324 -2.002 -0.651 1.00 0.26 O ATOM 359 CB PRO A 24 -4.308 -1.006 -0.024 1.00 0.28 C ATOM 360 CG PRO A 24 -5.222 0.011 0.555 1.00 0.29 C ATOM 361 CD PRO A 24 -4.421 1.282 0.580 1.00 0.29 C ATOM 0 HA PRO A 24 -2.583 -1.204 1.356 1.00 0.27 H new ATOM 0 HB2 PRO A 24 -4.341 -0.993 -1.113 1.00 0.28 H new ATOM 0 HB3 PRO A 24 -4.586 -2.012 0.291 1.00 0.28 H new ATOM 0 HG2 PRO A 24 -6.122 0.123 -0.050 1.00 0.29 H new ATOM 0 HG3 PRO A 24 -5.544 -0.272 1.557 1.00 0.29 H new ATOM 0 HD2 PRO A 24 -4.489 1.822 -0.364 1.00 0.29 H new ATOM 0 HD3 PRO A 24 -4.764 1.961 1.361 1.00 0.29 H new ATOM 369 N ARG A 25 -1.586 0.109 -1.399 1.00 0.27 N ATOM 370 CA ARG A 25 -0.597 -0.010 -2.470 1.00 0.28 C ATOM 371 C ARG A 25 0.756 -0.448 -1.914 1.00 0.29 C ATOM 372 O ARG A 25 1.311 -1.459 -2.335 1.00 0.30 O ATOM 373 CB ARG A 25 -0.446 1.319 -3.223 1.00 0.30 C ATOM 374 CG ARG A 25 -1.744 1.835 -3.833 1.00 0.35 C ATOM 375 CD ARG A 25 -1.476 2.775 -5.003 1.00 0.39 C ATOM 376 NE ARG A 25 -1.158 4.134 -4.566 1.00 0.39 N ATOM 377 CZ ARG A 25 -1.573 5.236 -5.203 1.00 0.45 C ATOM 378 NH1 ARG A 25 -2.324 5.140 -6.295 1.00 0.50 N ATOM 379 NH2 ARG A 25 -1.234 6.436 -4.755 1.00 0.56 N ATOM 0 H ARG A 25 -2.033 1.024 -1.344 1.00 0.27 H new ATOM 0 HA ARG A 25 -0.952 -0.770 -3.167 1.00 0.28 H new ATOM 0 HB2 ARG A 25 -0.054 2.071 -2.538 1.00 0.30 H new ATOM 0 HB3 ARG A 25 0.292 1.194 -4.016 1.00 0.30 H new ATOM 0 HG2 ARG A 25 -2.348 0.993 -4.172 1.00 0.35 H new ATOM 0 HG3 ARG A 25 -2.323 2.357 -3.071 1.00 0.35 H new ATOM 0 HD2 ARG A 25 -0.650 2.385 -5.597 1.00 0.39 H new ATOM 0 HD3 ARG A 25 -2.351 2.801 -5.652 1.00 0.39 H new ATOM 0 HE ARG A 25 -0.588 4.249 -3.728 1.00 0.39 H new ATOM 0 HH11 ARG A 25 -2.588 4.222 -6.653 1.00 0.50 H new ATOM 0 HH12 ARG A 25 -2.636 5.984 -6.775 1.00 0.50 H new ATOM 0 HH21 ARG A 25 -0.654 6.524 -3.921 1.00 0.56 H new ATOM 0 HH22 ARG A 25 -1.553 7.272 -5.245 1.00 0.56 H new ATOM 393 N GLN A 26 1.259 0.291 -0.940 1.00 0.31 N ATOM 394 CA GLN A 26 2.551 -0.018 -0.336 1.00 0.34 C ATOM 395 C GLN A 26 2.414 -1.099 0.736 1.00 0.30 C ATOM 396 O GLN A 26 3.410 -1.613 1.249 1.00 0.31 O ATOM 397 CB GLN A 26 3.162 1.242 0.267 1.00 0.42 C ATOM 398 CG GLN A 26 4.685 1.259 0.230 1.00 0.71 C ATOM 399 CD GLN A 26 5.293 2.288 1.165 1.00 1.09 C ATOM 400 OE1 GLN A 26 5.518 2.007 2.345 1.00 1.21 O ATOM 401 NE2 GLN A 26 5.590 3.472 0.645 1.00 1.45 N ATOM 0 H GLN A 26 0.795 1.110 -0.548 1.00 0.31 H new ATOM 0 HA GLN A 26 3.209 -0.397 -1.118 1.00 0.34 H new ATOM 0 HB2 GLN A 26 2.784 2.112 -0.270 1.00 0.42 H new ATOM 0 HB3 GLN A 26 2.831 1.337 1.301 1.00 0.42 H new ATOM 0 HG2 GLN A 26 5.060 0.270 0.495 1.00 0.71 H new ATOM 0 HG3 GLN A 26 5.015 1.463 -0.789 1.00 0.71 H new ATOM 0 HE21 GLN A 26 5.387 3.663 -0.336 1.00 1.45 H new ATOM 0 HE22 GLN A 26 6.021 4.191 1.226 1.00 1.45 H new ATOM 410 N ALA A 27 1.179 -1.453 1.060 1.00 0.28 N ATOM 411 CA ALA A 27 0.920 -2.474 2.071 1.00 0.27 C ATOM 412 C ALA A 27 1.055 -3.851 1.438 1.00 0.24 C ATOM 413 O ALA A 27 1.680 -4.755 1.997 1.00 0.24 O ATOM 414 CB ALA A 27 -0.481 -2.298 2.684 1.00 0.28 C ATOM 0 H ALA A 27 0.341 -1.051 0.640 1.00 0.28 H new ATOM 0 HA ALA A 27 1.649 -2.371 2.875 1.00 0.27 H new ATOM 0 HB1 ALA A 27 -0.650 -3.071 3.434 1.00 0.28 H new ATOM 0 HB2 ALA A 27 -0.553 -1.316 3.152 1.00 0.28 H new ATOM 0 HB3 ALA A 27 -1.234 -2.382 1.901 1.00 0.28 H new ATOM 420 N ALA A 28 0.491 -3.988 0.241 1.00 0.23 N ATOM 421 CA ALA A 28 0.550 -5.237 -0.500 1.00 0.22 C ATOM 422 C ALA A 28 1.960 -5.435 -1.035 1.00 0.23 C ATOM 423 O ALA A 28 2.378 -6.551 -1.343 1.00 0.24 O ATOM 424 CB ALA A 28 -0.459 -5.222 -1.640 1.00 0.22 C ATOM 0 H ALA A 28 -0.015 -3.242 -0.236 1.00 0.23 H new ATOM 0 HA ALA A 28 0.299 -6.066 0.162 1.00 0.22 H new ATOM 0 HB1 ALA A 28 -0.404 -6.163 -2.187 1.00 0.22 H new ATOM 0 HB2 ALA A 28 -1.463 -5.095 -1.235 1.00 0.22 H new ATOM 0 HB3 ALA A 28 -0.233 -4.397 -2.315 1.00 0.22 H new ATOM 430 N LEU A 29 2.679 -4.326 -1.138 1.00 0.25 N ATOM 431 CA LEU A 29 4.052 -4.330 -1.604 1.00 0.27 C ATOM 432 C LEU A 29 4.903 -5.192 -0.680 1.00 0.27 C ATOM 433 O LEU A 29 5.581 -6.119 -1.120 1.00 0.29 O ATOM 434 CB LEU A 29 4.593 -2.894 -1.625 1.00 0.31 C ATOM 435 CG LEU A 29 5.940 -2.703 -2.335 1.00 0.34 C ATOM 436 CD1 LEU A 29 5.782 -2.816 -3.860 1.00 0.44 C ATOM 437 CD2 LEU A 29 6.563 -1.371 -1.905 1.00 0.39 C ATOM 0 H LEU A 29 2.324 -3.400 -0.900 1.00 0.25 H new ATOM 0 HA LEU A 29 4.092 -4.741 -2.613 1.00 0.27 H new ATOM 0 HB2 LEU A 29 3.854 -2.254 -2.107 1.00 0.31 H new ATOM 0 HB3 LEU A 29 4.692 -2.547 -0.596 1.00 0.31 H new ATOM 0 HG LEU A 29 6.622 -3.501 -2.040 1.00 0.34 H new ATOM 0 HD11 LEU A 29 6.752 -2.677 -4.338 1.00 0.44 H new ATOM 0 HD12 LEU A 29 5.391 -3.801 -4.113 1.00 0.44 H new ATOM 0 HD13 LEU A 29 5.091 -2.050 -4.212 1.00 0.44 H new ATOM 0 HD21 LEU A 29 7.520 -1.237 -2.410 1.00 0.39 H new ATOM 0 HD22 LEU A 29 5.894 -0.553 -2.172 1.00 0.39 H new ATOM 0 HD23 LEU A 29 6.720 -1.374 -0.826 1.00 0.39 H new ATOM 449 N LYS A 30 4.856 -4.874 0.613 1.00 0.26 N ATOM 450 CA LYS A 30 5.611 -5.606 1.623 1.00 0.27 C ATOM 451 C LYS A 30 5.105 -7.039 1.801 1.00 0.25 C ATOM 452 O LYS A 30 5.811 -7.887 2.345 1.00 0.26 O ATOM 453 CB LYS A 30 5.537 -4.868 2.959 1.00 0.32 C ATOM 454 CG LYS A 30 5.863 -3.384 2.855 1.00 0.50 C ATOM 455 CD LYS A 30 5.452 -2.630 4.108 1.00 0.53 C ATOM 456 CE LYS A 30 5.106 -1.183 3.797 1.00 0.70 C ATOM 457 NZ LYS A 30 6.271 -0.432 3.262 1.00 1.30 N ATOM 0 H LYS A 30 4.297 -4.107 0.986 1.00 0.26 H new ATOM 0 HA LYS A 30 6.644 -5.662 1.280 1.00 0.27 H new ATOM 0 HB2 LYS A 30 4.535 -4.983 3.373 1.00 0.32 H new ATOM 0 HB3 LYS A 30 6.228 -5.335 3.661 1.00 0.32 H new ATOM 0 HG2 LYS A 30 6.933 -3.257 2.688 1.00 0.50 H new ATOM 0 HG3 LYS A 30 5.353 -2.959 1.991 1.00 0.50 H new ATOM 0 HD2 LYS A 30 4.592 -3.121 4.564 1.00 0.53 H new ATOM 0 HD3 LYS A 30 6.262 -2.663 4.837 1.00 0.53 H new ATOM 0 HE2 LYS A 30 4.292 -1.153 3.072 1.00 0.70 H new ATOM 0 HE3 LYS A 30 4.745 -0.695 4.702 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 5.986 0.545 3.048 1.00 1.30 H new ATOM 0 HZ2 LYS A 30 7.033 -0.423 3.970 1.00 1.30 H new ATOM 0 HZ3 LYS A 30 6.611 -0.892 2.393 1.00 1.30 H new ATOM 471 N ALA A 31 3.891 -7.305 1.336 1.00 0.22 N ATOM 472 CA ALA A 31 3.304 -8.640 1.443 1.00 0.21 C ATOM 473 C ALA A 31 4.043 -9.601 0.515 1.00 0.21 C ATOM 474 O ALA A 31 4.287 -10.758 0.856 1.00 0.22 O ATOM 475 CB ALA A 31 1.805 -8.596 1.085 1.00 0.21 C ATOM 0 H ALA A 31 3.292 -6.616 0.881 1.00 0.22 H new ATOM 0 HA ALA A 31 3.402 -8.991 2.470 1.00 0.21 H new ATOM 0 HB1 ALA A 31 1.381 -9.597 1.169 1.00 0.21 H new ATOM 0 HB2 ALA A 31 1.287 -7.924 1.769 1.00 0.21 H new ATOM 0 HB3 ALA A 31 1.685 -8.236 0.063 1.00 0.21 H new ATOM 481 N ALA A 32 4.405 -9.088 -0.656 1.00 0.22 N ATOM 482 CA ALA A 32 5.128 -9.849 -1.674 1.00 0.24 C ATOM 483 C ALA A 32 6.549 -10.204 -1.239 1.00 0.23 C ATOM 484 O ALA A 32 7.281 -10.843 -1.998 1.00 0.24 O ATOM 485 CB ALA A 32 5.171 -9.038 -2.965 1.00 0.28 C ATOM 0 H ALA A 32 4.205 -8.126 -0.929 1.00 0.22 H new ATOM 0 HA ALA A 32 4.597 -10.788 -1.828 1.00 0.24 H new ATOM 0 HB1 ALA A 32 5.709 -9.599 -3.729 1.00 0.28 H new ATOM 0 HB2 ALA A 32 4.154 -8.843 -3.306 1.00 0.28 H new ATOM 0 HB3 ALA A 32 5.681 -8.092 -2.783 1.00 0.28 H new ATOM 491 N ASN A 33 6.964 -9.821 -0.026 1.00 0.23 N ATOM 492 CA ASN A 33 8.308 -10.136 0.450 1.00 0.24 C ATOM 493 C ASN A 33 8.395 -11.575 0.944 1.00 0.24 C ATOM 494 O ASN A 33 9.362 -11.947 1.608 1.00 0.26 O ATOM 495 CB ASN A 33 8.714 -9.208 1.602 1.00 0.26 C ATOM 496 CG ASN A 33 9.016 -7.783 1.173 1.00 0.37 C ATOM 497 OD1 ASN A 33 9.347 -7.518 0.018 1.00 0.64 O ATOM 498 ND2 ASN A 33 8.925 -6.856 2.115 1.00 0.65 N ATOM 0 H ASN A 33 6.391 -9.297 0.636 1.00 0.23 H new ATOM 0 HA ASN A 33 8.983 -9.997 -0.395 1.00 0.24 H new ATOM 0 HB2 ASN A 33 7.913 -9.192 2.341 1.00 0.26 H new ATOM 0 HB3 ASN A 33 9.594 -9.622 2.095 1.00 0.26 H new ATOM 0 HD21 ASN A 33 9.133 -5.882 1.894 1.00 0.65 H new ATOM 0 HD22 ASN A 33 8.647 -7.116 3.061 1.00 0.65 H new ATOM 505 N ARG A 34 7.380 -12.371 0.625 1.00 0.24 N ATOM 506 CA ARG A 34 7.329 -13.771 1.038 1.00 0.27 C ATOM 507 C ARG A 34 8.588 -14.531 0.622 1.00 0.28 C ATOM 508 O ARG A 34 9.032 -15.434 1.328 1.00 0.35 O ATOM 509 CB ARG A 34 6.086 -14.451 0.458 1.00 0.29 C ATOM 510 CG ARG A 34 4.815 -14.155 1.234 1.00 0.32 C ATOM 511 CD ARG A 34 4.285 -15.395 1.931 1.00 0.34 C ATOM 512 NE ARG A 34 3.710 -16.346 0.980 1.00 0.33 N ATOM 513 CZ ARG A 34 3.305 -17.575 1.301 1.00 0.38 C ATOM 514 NH1 ARG A 34 3.431 -18.017 2.548 1.00 0.43 N ATOM 515 NH2 ARG A 34 2.777 -18.362 0.371 1.00 0.43 N ATOM 0 H ARG A 34 6.575 -12.068 0.077 1.00 0.24 H new ATOM 0 HA ARG A 34 7.274 -13.791 2.126 1.00 0.27 H new ATOM 0 HB2 ARG A 34 5.955 -14.129 -0.575 1.00 0.29 H new ATOM 0 HB3 ARG A 34 6.247 -15.529 0.438 1.00 0.29 H new ATOM 0 HG2 ARG A 34 5.011 -13.378 1.972 1.00 0.32 H new ATOM 0 HG3 ARG A 34 4.056 -13.766 0.556 1.00 0.32 H new ATOM 0 HD2 ARG A 34 5.093 -15.876 2.483 1.00 0.34 H new ATOM 0 HD3 ARG A 34 3.528 -15.107 2.660 1.00 0.34 H new ATOM 0 HE ARG A 34 3.613 -16.050 0.009 1.00 0.33 H new ATOM 0 HH11 ARG A 34 3.839 -17.415 3.264 1.00 0.43 H new ATOM 0 HH12 ARG A 34 3.120 -18.958 2.789 1.00 0.43 H new ATOM 0 HH21 ARG A 34 2.682 -18.026 -0.587 1.00 0.43 H new ATOM 0 HH22 ARG A 34 2.467 -19.303 0.615 1.00 0.43 H new ATOM 529 N GLY A 35 9.163 -14.168 -0.522 1.00 0.28 N ATOM 530 CA GLY A 35 10.370 -14.833 -0.980 1.00 0.29 C ATOM 531 C GLY A 35 10.074 -16.160 -1.638 1.00 0.29 C ATOM 532 O GLY A 35 10.947 -17.020 -1.740 1.00 0.34 O ATOM 0 H GLY A 35 8.817 -13.430 -1.136 1.00 0.28 H new ATOM 0 HA2 GLY A 35 10.893 -14.188 -1.686 1.00 0.29 H new ATOM 0 HA3 GLY A 35 11.040 -14.990 -0.135 1.00 0.29 H new ATOM 536 N SER A 36 8.836 -16.314 -2.082 1.00 0.28 N ATOM 537 CA SER A 36 8.390 -17.529 -2.734 1.00 0.30 C ATOM 538 C SER A 36 9.099 -17.725 -4.073 1.00 0.29 C ATOM 539 O SER A 36 8.841 -17.013 -5.040 1.00 0.33 O ATOM 540 CB SER A 36 6.874 -17.471 -2.916 1.00 0.34 C ATOM 541 OG SER A 36 6.267 -16.861 -1.784 1.00 0.59 O ATOM 0 H SER A 36 8.114 -15.598 -1.999 1.00 0.28 H new ATOM 0 HA SER A 36 8.642 -18.386 -2.109 1.00 0.30 H new ATOM 0 HB2 SER A 36 6.630 -16.908 -3.817 1.00 0.34 H new ATOM 0 HB3 SER A 36 6.478 -18.477 -3.052 1.00 0.34 H new ATOM 0 HG SER A 36 5.513 -16.307 -2.076 1.00 0.59 H new ATOM 547 N GLY A 37 10.022 -18.676 -4.100 1.00 0.29 N ATOM 548 CA GLY A 37 10.760 -18.969 -5.316 1.00 0.32 C ATOM 549 C GLY A 37 11.751 -17.873 -5.665 1.00 0.33 C ATOM 550 O GLY A 37 12.791 -17.754 -5.022 1.00 0.36 O ATOM 0 H GLY A 37 10.275 -19.253 -3.298 1.00 0.29 H new ATOM 0 HA2 GLY A 37 11.292 -19.913 -5.197 1.00 0.32 H new ATOM 0 HA3 GLY A 37 10.060 -19.099 -6.141 1.00 0.32 H new ATOM 554 N THR A 38 11.412 -17.063 -6.667 1.00 0.35 N ATOM 555 CA THR A 38 12.272 -15.965 -7.120 1.00 0.40 C ATOM 556 C THR A 38 11.527 -15.071 -8.119 1.00 0.38 C ATOM 557 O THR A 38 10.652 -14.301 -7.731 1.00 0.39 O ATOM 558 CB THR A 38 13.592 -16.463 -7.769 1.00 0.49 C ATOM 559 OG1 THR A 38 13.455 -17.821 -8.210 1.00 0.55 O ATOM 560 CG2 THR A 38 14.768 -16.355 -6.808 1.00 0.60 C ATOM 0 H THR A 38 10.538 -17.147 -7.187 1.00 0.35 H new ATOM 0 HA THR A 38 12.533 -15.395 -6.228 1.00 0.40 H new ATOM 0 HB THR A 38 13.792 -15.821 -8.627 1.00 0.49 H new ATOM 0 HG1 THR A 38 14.295 -18.119 -8.618 1.00 0.55 H new ATOM 0 HG21 THR A 38 15.673 -16.713 -7.299 1.00 0.60 H new ATOM 0 HG22 THR A 38 14.902 -15.314 -6.513 1.00 0.60 H new ATOM 0 HG23 THR A 38 14.572 -16.960 -5.923 1.00 0.60 H new ATOM 568 N LYS A 39 11.875 -15.193 -9.396 1.00 0.40 N ATOM 569 CA LYS A 39 11.252 -14.397 -10.448 1.00 0.42 C ATOM 570 C LYS A 39 9.833 -14.876 -10.739 1.00 0.39 C ATOM 571 O LYS A 39 8.869 -14.367 -10.172 1.00 0.39 O ATOM 572 CB LYS A 39 12.118 -14.454 -11.709 1.00 0.49 C ATOM 573 CG LYS A 39 11.708 -13.479 -12.799 1.00 0.70 C ATOM 574 CD LYS A 39 12.545 -13.674 -14.054 1.00 0.84 C ATOM 575 CE LYS A 39 12.284 -12.583 -15.081 1.00 0.82 C ATOM 576 NZ LYS A 39 13.160 -11.403 -14.861 1.00 0.94 N ATOM 0 H LYS A 39 12.590 -15.840 -9.729 1.00 0.40 H new ATOM 0 HA LYS A 39 11.180 -13.363 -10.110 1.00 0.42 H new ATOM 0 HB2 LYS A 39 13.154 -14.256 -11.433 1.00 0.49 H new ATOM 0 HB3 LYS A 39 12.084 -15.466 -12.113 1.00 0.49 H new ATOM 0 HG2 LYS A 39 10.653 -13.618 -13.037 1.00 0.70 H new ATOM 0 HG3 LYS A 39 11.822 -12.457 -12.438 1.00 0.70 H new ATOM 0 HD2 LYS A 39 13.602 -13.678 -13.789 1.00 0.84 H new ATOM 0 HD3 LYS A 39 12.322 -14.647 -14.492 1.00 0.84 H new ATOM 0 HE2 LYS A 39 12.450 -12.979 -16.083 1.00 0.82 H new ATOM 0 HE3 LYS A 39 11.239 -12.276 -15.029 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 12.793 -10.593 -15.400 1.00 0.94 H new ATOM 0 HZ2 LYS A 39 13.176 -11.166 -13.848 1.00 0.94 H new ATOM 0 HZ3 LYS A 39 14.125 -11.623 -15.180 1.00 0.94 H new ATOM 590 N ALA A 40 9.700 -15.849 -11.630 1.00 0.39 N ATOM 591 CA ALA A 40 8.396 -16.379 -11.963 1.00 0.38 C ATOM 592 C ALA A 40 7.951 -17.344 -10.881 1.00 0.36 C ATOM 593 O ALA A 40 8.541 -18.414 -10.712 1.00 0.37 O ATOM 594 CB ALA A 40 8.428 -17.061 -13.322 1.00 0.41 C ATOM 0 H ALA A 40 10.477 -16.282 -12.129 1.00 0.39 H new ATOM 0 HA ALA A 40 7.679 -15.560 -12.020 1.00 0.38 H new ATOM 0 HB1 ALA A 40 7.438 -17.454 -13.556 1.00 0.41 H new ATOM 0 HB2 ALA A 40 8.721 -16.339 -14.084 1.00 0.41 H new ATOM 0 HB3 ALA A 40 9.147 -17.880 -13.301 1.00 0.41 H new ATOM 600 N ASN A 41 6.917 -16.961 -10.150 1.00 0.34 N ATOM 601 CA ASN A 41 6.401 -17.773 -9.064 1.00 0.33 C ATOM 602 C ASN A 41 5.109 -17.156 -8.545 1.00 0.35 C ATOM 603 O ASN A 41 5.094 -15.996 -8.137 1.00 0.48 O ATOM 604 CB ASN A 41 7.430 -17.873 -7.925 1.00 0.34 C ATOM 605 CG ASN A 41 7.047 -18.904 -6.864 1.00 0.38 C ATOM 606 OD1 ASN A 41 6.360 -18.581 -5.897 1.00 0.57 O ATOM 607 ND2 ASN A 41 7.487 -20.153 -7.019 1.00 0.50 N ATOM 0 H ASN A 41 6.416 -16.084 -10.292 1.00 0.34 H new ATOM 0 HA ASN A 41 6.204 -18.779 -9.436 1.00 0.33 H new ATOM 0 HB2 ASN A 41 8.402 -18.134 -8.343 1.00 0.34 H new ATOM 0 HB3 ASN A 41 7.537 -16.896 -7.453 1.00 0.34 H new ATOM 0 HD21 ASN A 41 7.255 -20.865 -6.327 1.00 0.50 H new ATOM 0 HD22 ASN A 41 8.056 -20.396 -7.830 1.00 0.50 H new ATOM 614 N PRO A 42 3.995 -17.899 -8.596 1.00 0.35 N ATOM 615 CA PRO A 42 2.715 -17.399 -8.112 1.00 0.38 C ATOM 616 C PRO A 42 2.623 -17.506 -6.595 1.00 0.31 C ATOM 617 O PRO A 42 3.201 -18.419 -5.997 1.00 0.31 O ATOM 618 CB PRO A 42 1.702 -18.310 -8.799 1.00 0.48 C ATOM 619 CG PRO A 42 2.419 -19.588 -9.082 1.00 0.70 C ATOM 620 CD PRO A 42 3.897 -19.279 -9.110 1.00 0.48 C ATOM 0 HA PRO A 42 2.554 -16.344 -8.335 1.00 0.38 H new ATOM 0 HB2 PRO A 42 0.836 -18.482 -8.159 1.00 0.48 H new ATOM 0 HB3 PRO A 42 1.333 -17.858 -9.720 1.00 0.48 H new ATOM 0 HG2 PRO A 42 2.196 -20.331 -8.316 1.00 0.70 H new ATOM 0 HG3 PRO A 42 2.096 -20.007 -10.035 1.00 0.70 H new ATOM 0 HD2 PRO A 42 4.460 -19.975 -8.488 1.00 0.48 H new ATOM 0 HD3 PRO A 42 4.300 -19.356 -10.120 1.00 0.48 H new ATOM 628 N ASP A 43 1.890 -16.596 -5.971 1.00 0.28 N ATOM 629 CA ASP A 43 1.749 -16.596 -4.525 1.00 0.25 C ATOM 630 C ASP A 43 0.476 -15.878 -4.154 1.00 0.25 C ATOM 631 O ASP A 43 0.046 -14.971 -4.858 1.00 0.28 O ATOM 632 CB ASP A 43 2.940 -15.917 -3.837 1.00 0.24 C ATOM 633 CG ASP A 43 3.054 -16.323 -2.383 1.00 0.30 C ATOM 634 OD1 ASP A 43 2.352 -17.274 -1.967 1.00 0.33 O ATOM 635 OD2 ASP A 43 3.851 -15.707 -1.647 1.00 0.51 O ATOM 0 H ASP A 43 1.384 -15.848 -6.445 1.00 0.28 H new ATOM 0 HA ASP A 43 1.716 -17.631 -4.186 1.00 0.25 H new ATOM 0 HB2 ASP A 43 3.860 -16.178 -4.361 1.00 0.24 H new ATOM 0 HB3 ASP A 43 2.831 -14.835 -3.905 1.00 0.24 H new ATOM 640 N ILE A 44 -0.116 -16.282 -3.053 1.00 0.25 N ATOM 641 CA ILE A 44 -1.358 -15.696 -2.598 1.00 0.26 C ATOM 642 C ILE A 44 -1.419 -15.695 -1.079 1.00 0.25 C ATOM 643 O ILE A 44 -1.356 -16.746 -0.437 1.00 0.31 O ATOM 644 CB ILE A 44 -2.567 -16.457 -3.204 1.00 0.32 C ATOM 645 CG1 ILE A 44 -2.996 -15.804 -4.523 1.00 0.46 C ATOM 646 CG2 ILE A 44 -3.751 -16.521 -2.235 1.00 0.37 C ATOM 647 CD1 ILE A 44 -4.062 -16.584 -5.263 1.00 0.57 C ATOM 0 H ILE A 44 0.246 -17.021 -2.451 1.00 0.25 H new ATOM 0 HA ILE A 44 -1.403 -14.661 -2.938 1.00 0.26 H new ATOM 0 HB ILE A 44 -2.246 -17.481 -3.395 1.00 0.32 H new ATOM 0 HG12 ILE A 44 -3.368 -14.800 -4.318 1.00 0.46 H new ATOM 0 HG13 ILE A 44 -2.123 -15.696 -5.167 1.00 0.46 H new ATOM 0 HG21 ILE A 44 -4.574 -17.062 -2.701 1.00 0.37 H new ATOM 0 HG22 ILE A 44 -3.448 -17.036 -1.324 1.00 0.37 H new ATOM 0 HG23 ILE A 44 -4.075 -15.510 -1.989 1.00 0.37 H new ATOM 0 HD11 ILE A 44 -4.318 -16.065 -6.187 1.00 0.57 H new ATOM 0 HD12 ILE A 44 -3.687 -17.580 -5.499 1.00 0.57 H new ATOM 0 HD13 ILE A 44 -4.950 -16.670 -4.637 1.00 0.57 H new ATOM 659 N ILE A 45 -1.516 -14.511 -0.509 1.00 0.23 N ATOM 660 CA ILE A 45 -1.600 -14.364 0.936 1.00 0.23 C ATOM 661 C ILE A 45 -2.762 -13.463 1.302 1.00 0.23 C ATOM 662 O ILE A 45 -3.326 -12.778 0.448 1.00 0.29 O ATOM 663 CB ILE A 45 -0.285 -13.842 1.577 1.00 0.24 C ATOM 664 CG1 ILE A 45 0.505 -12.936 0.598 1.00 0.25 C ATOM 665 CG2 ILE A 45 0.551 -15.039 2.033 1.00 0.26 C ATOM 666 CD1 ILE A 45 -0.286 -11.742 0.089 1.00 0.29 C ATOM 0 H ILE A 45 -1.539 -13.631 -1.024 1.00 0.23 H new ATOM 0 HA ILE A 45 -1.765 -15.361 1.344 1.00 0.23 H new ATOM 0 HB ILE A 45 -0.528 -13.223 2.441 1.00 0.24 H new ATOM 0 HG12 ILE A 45 1.405 -12.577 1.097 1.00 0.25 H new ATOM 0 HG13 ILE A 45 0.829 -13.534 -0.254 1.00 0.25 H new ATOM 0 HG21 ILE A 45 1.477 -14.685 2.485 1.00 0.26 H new ATOM 0 HG22 ILE A 45 -0.012 -15.618 2.765 1.00 0.26 H new ATOM 0 HG23 ILE A 45 0.784 -15.668 1.174 1.00 0.26 H new ATOM 0 HD11 ILE A 45 0.335 -11.157 -0.590 1.00 0.29 H new ATOM 0 HD12 ILE A 45 -1.173 -12.092 -0.440 1.00 0.29 H new ATOM 0 HD13 ILE A 45 -0.588 -11.120 0.931 1.00 0.29 H new ATOM 678 N ARG A 46 -3.113 -13.476 2.565 1.00 0.26 N ATOM 679 CA ARG A 46 -4.236 -12.685 3.033 1.00 0.27 C ATOM 680 C ARG A 46 -3.892 -11.847 4.256 1.00 0.28 C ATOM 681 O ARG A 46 -3.501 -12.372 5.289 1.00 0.34 O ATOM 682 CB ARG A 46 -5.434 -13.591 3.334 1.00 0.29 C ATOM 683 CG ARG A 46 -5.069 -14.932 3.962 1.00 0.31 C ATOM 684 CD ARG A 46 -5.488 -16.096 3.071 1.00 0.35 C ATOM 685 NE ARG A 46 -4.402 -16.550 2.201 1.00 0.36 N ATOM 686 CZ ARG A 46 -3.909 -17.792 2.211 1.00 0.37 C ATOM 687 NH1 ARG A 46 -4.355 -18.685 3.087 1.00 0.63 N ATOM 688 NH2 ARG A 46 -2.951 -18.136 1.361 1.00 0.39 N ATOM 0 H ARG A 46 -2.643 -14.021 3.288 1.00 0.26 H new ATOM 0 HA ARG A 46 -4.494 -11.992 2.232 1.00 0.27 H new ATOM 0 HB2 ARG A 46 -6.114 -13.063 4.003 1.00 0.29 H new ATOM 0 HB3 ARG A 46 -5.977 -13.774 2.407 1.00 0.29 H new ATOM 0 HG2 ARG A 46 -3.994 -14.973 4.136 1.00 0.31 H new ATOM 0 HG3 ARG A 46 -5.553 -15.024 4.934 1.00 0.31 H new ATOM 0 HD2 ARG A 46 -5.822 -16.926 3.694 1.00 0.35 H new ATOM 0 HD3 ARG A 46 -6.338 -15.794 2.459 1.00 0.35 H new ATOM 0 HE ARG A 46 -3.998 -15.879 1.548 1.00 0.36 H new ATOM 0 HH11 ARG A 46 -5.078 -18.425 3.758 1.00 0.63 H new ATOM 0 HH12 ARG A 46 -3.974 -19.631 3.089 1.00 0.63 H new ATOM 0 HH21 ARG A 46 -2.588 -17.452 0.697 1.00 0.39 H new ATOM 0 HH22 ARG A 46 -2.577 -19.085 1.371 1.00 0.39 H new ATOM 702 N LEU A 47 -4.045 -10.540 4.125 1.00 0.25 N ATOM 703 CA LEU A 47 -3.794 -9.631 5.233 1.00 0.27 C ATOM 704 C LEU A 47 -5.131 -9.169 5.740 1.00 0.26 C ATOM 705 O LEU A 47 -5.978 -8.742 4.952 1.00 0.25 O ATOM 706 CB LEU A 47 -2.949 -8.386 4.864 1.00 0.28 C ATOM 707 CG LEU A 47 -2.620 -8.142 3.390 1.00 0.27 C ATOM 708 CD1 LEU A 47 -1.834 -6.847 3.242 1.00 0.31 C ATOM 709 CD2 LEU A 47 -1.822 -9.289 2.786 1.00 0.29 C ATOM 0 H LEU A 47 -4.342 -10.084 3.262 1.00 0.25 H new ATOM 0 HA LEU A 47 -3.214 -10.177 5.977 1.00 0.27 H new ATOM 0 HB2 LEU A 47 -3.473 -7.506 5.237 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -2.007 -8.451 5.408 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.565 -8.071 2.852 1.00 0.27 H new ATOM 0 HD11 LEU A 47 -1.603 -6.680 2.190 1.00 0.31 H new ATOM 0 HD12 LEU A 47 -2.429 -6.015 3.620 1.00 0.31 H new ATOM 0 HD13 LEU A 47 -0.906 -6.917 3.810 1.00 0.31 H new ATOM 0 HD21 LEU A 47 -1.611 -9.073 1.739 1.00 0.29 H new ATOM 0 HD22 LEU A 47 -0.884 -9.405 3.329 1.00 0.29 H new ATOM 0 HD23 LEU A 47 -2.399 -10.211 2.857 1.00 0.29 H new ATOM 721 N ARG A 48 -5.355 -9.258 7.026 1.00 0.29 N ATOM 722 CA ARG A 48 -6.609 -8.815 7.575 1.00 0.29 C ATOM 723 C ARG A 48 -6.507 -7.316 7.730 1.00 0.29 C ATOM 724 O ARG A 48 -5.537 -6.825 8.313 1.00 0.31 O ATOM 725 CB ARG A 48 -6.883 -9.483 8.928 1.00 0.33 C ATOM 726 CG ARG A 48 -7.080 -10.997 8.858 1.00 0.35 C ATOM 727 CD ARG A 48 -5.765 -11.758 8.676 1.00 0.38 C ATOM 728 NE ARG A 48 -4.811 -11.503 9.772 1.00 0.47 N ATOM 729 CZ ARG A 48 -4.936 -12.004 11.001 1.00 0.59 C ATOM 730 NH1 ARG A 48 -5.905 -12.867 11.286 1.00 0.63 N ATOM 731 NH2 ARG A 48 -4.075 -11.651 11.944 1.00 0.73 N ATOM 0 H ARG A 48 -4.692 -9.630 7.706 1.00 0.29 H new ATOM 0 HA ARG A 48 -7.436 -9.086 6.919 1.00 0.29 H new ATOM 0 HB2 ARG A 48 -6.052 -9.268 9.600 1.00 0.33 H new ATOM 0 HB3 ARG A 48 -7.773 -9.033 9.368 1.00 0.33 H new ATOM 0 HG2 ARG A 48 -7.568 -11.338 9.771 1.00 0.35 H new ATOM 0 HG3 ARG A 48 -7.749 -11.234 8.031 1.00 0.35 H new ATOM 0 HD2 ARG A 48 -5.972 -12.827 8.619 1.00 0.38 H new ATOM 0 HD3 ARG A 48 -5.310 -11.471 7.728 1.00 0.38 H new ATOM 0 HE ARG A 48 -4.007 -10.907 9.578 1.00 0.47 H new ATOM 0 HH11 ARG A 48 -6.563 -13.153 10.561 1.00 0.63 H new ATOM 0 HH12 ARG A 48 -5.991 -13.244 12.230 1.00 0.63 H new ATOM 0 HH21 ARG A 48 -3.321 -10.999 11.728 1.00 0.73 H new ATOM 0 HH22 ARG A 48 -4.166 -12.031 12.886 1.00 0.73 H new ATOM 745 N GLU A 49 -7.455 -6.582 7.187 1.00 0.28 N ATOM 746 CA GLU A 49 -7.384 -5.143 7.296 1.00 0.31 C ATOM 747 C GLU A 49 -7.806 -4.747 8.710 1.00 0.35 C ATOM 748 O GLU A 49 -8.869 -5.155 9.179 1.00 0.37 O ATOM 749 CB GLU A 49 -8.280 -4.460 6.264 1.00 0.32 C ATOM 750 CG GLU A 49 -7.903 -3.008 6.001 1.00 0.40 C ATOM 751 CD GLU A 49 -8.981 -2.033 6.415 1.00 0.44 C ATOM 752 OE1 GLU A 49 -9.425 -2.098 7.571 1.00 1.05 O ATOM 753 OE2 GLU A 49 -9.388 -1.195 5.584 1.00 0.89 O ATOM 0 H GLU A 49 -8.262 -6.945 6.680 1.00 0.28 H new ATOM 0 HA GLU A 49 -6.362 -4.818 7.100 1.00 0.31 H new ATOM 0 HB2 GLU A 49 -8.231 -5.015 5.327 1.00 0.32 H new ATOM 0 HB3 GLU A 49 -9.314 -4.503 6.607 1.00 0.32 H new ATOM 0 HG2 GLU A 49 -6.984 -2.774 6.538 1.00 0.40 H new ATOM 0 HG3 GLU A 49 -7.693 -2.880 4.939 1.00 0.40 H new ATOM 760 N ARG A 50 -6.978 -3.989 9.395 1.00 0.37 N ATOM 761 CA ARG A 50 -7.293 -3.589 10.752 1.00 0.42 C ATOM 762 C ARG A 50 -7.834 -2.169 10.772 1.00 0.46 C ATOM 763 O ARG A 50 -7.094 -1.206 10.987 1.00 0.51 O ATOM 764 CB ARG A 50 -6.067 -3.727 11.655 1.00 0.47 C ATOM 765 CG ARG A 50 -6.341 -3.395 13.111 1.00 0.47 C ATOM 766 CD ARG A 50 -5.262 -3.963 14.021 1.00 0.53 C ATOM 767 NE ARG A 50 -5.436 -5.397 14.247 1.00 0.95 N ATOM 768 CZ ARG A 50 -4.857 -6.074 15.233 1.00 1.24 C ATOM 769 NH1 ARG A 50 -4.022 -5.462 16.063 1.00 1.52 N ATOM 770 NH2 ARG A 50 -5.105 -7.368 15.377 1.00 1.71 N ATOM 0 H ARG A 50 -6.088 -3.639 9.040 1.00 0.37 H new ATOM 0 HA ARG A 50 -8.067 -4.252 11.140 1.00 0.42 H new ATOM 0 HB2 ARG A 50 -5.691 -4.748 11.589 1.00 0.47 H new ATOM 0 HB3 ARG A 50 -5.278 -3.072 11.284 1.00 0.47 H new ATOM 0 HG2 ARG A 50 -6.393 -2.313 13.236 1.00 0.47 H new ATOM 0 HG3 ARG A 50 -7.312 -3.796 13.401 1.00 0.47 H new ATOM 0 HD2 ARG A 50 -4.282 -3.782 13.579 1.00 0.53 H new ATOM 0 HD3 ARG A 50 -5.282 -3.440 14.977 1.00 0.53 H new ATOM 0 HE ARG A 50 -6.041 -5.911 13.606 1.00 0.95 H new ATOM 0 HH11 ARG A 50 -3.823 -4.469 15.945 1.00 1.52 H new ATOM 0 HH12 ARG A 50 -3.579 -5.985 16.819 1.00 1.52 H new ATOM 0 HH21 ARG A 50 -5.738 -7.841 14.732 1.00 1.71 H new ATOM 0 HH22 ARG A 50 -4.662 -7.891 16.133 1.00 1.71 H new ATOM 784 N GLY A 51 -9.126 -2.060 10.521 1.00 0.52 N ATOM 785 CA GLY A 51 -9.789 -0.776 10.510 1.00 0.60 C ATOM 786 C GLY A 51 -11.242 -0.910 10.108 1.00 0.56 C ATOM 787 O GLY A 51 -12.136 -0.390 10.778 1.00 0.65 O ATOM 0 H GLY A 51 -9.737 -2.852 10.321 1.00 0.52 H new ATOM 0 HA2 GLY A 51 -9.724 -0.322 11.499 1.00 0.60 H new ATOM 0 HA3 GLY A 51 -9.278 -0.107 9.818 1.00 0.60 H new ATOM 791 N THR A 52 -11.482 -1.623 9.016 1.00 0.49 N ATOM 792 CA THR A 52 -12.825 -1.836 8.516 1.00 0.47 C ATOM 793 C THR A 52 -13.019 -3.299 8.116 1.00 0.45 C ATOM 794 O THR A 52 -12.060 -4.002 7.803 1.00 0.68 O ATOM 795 CB THR A 52 -13.114 -0.923 7.294 1.00 0.52 C ATOM 796 OG1 THR A 52 -12.031 0.002 7.128 1.00 0.62 O ATOM 797 CG2 THR A 52 -14.440 -0.136 7.433 1.00 0.59 C ATOM 0 H THR A 52 -10.753 -2.066 8.457 1.00 0.49 H new ATOM 0 HA THR A 52 -13.522 -1.584 9.315 1.00 0.47 H new ATOM 0 HB THR A 52 -13.211 -1.570 6.422 1.00 0.52 H new ATOM 0 HG1 THR A 52 -11.304 -0.431 6.634 1.00 0.62 H new ATOM 0 HG21 THR A 52 -14.589 0.485 6.550 1.00 0.59 H new ATOM 0 HG22 THR A 52 -15.270 -0.836 7.529 1.00 0.59 H new ATOM 0 HG23 THR A 52 -14.396 0.498 8.319 1.00 0.59 H new ATOM 805 N LYS A 53 -14.264 -3.742 8.165 1.00 0.38 N ATOM 806 CA LYS A 53 -14.624 -5.115 7.814 1.00 0.37 C ATOM 807 C LYS A 53 -14.313 -5.453 6.349 1.00 0.35 C ATOM 808 O LYS A 53 -15.126 -5.191 5.464 1.00 0.45 O ATOM 809 CB LYS A 53 -16.114 -5.338 8.071 1.00 0.44 C ATOM 810 CG LYS A 53 -16.574 -4.933 9.462 1.00 0.54 C ATOM 811 CD LYS A 53 -18.093 -4.932 9.571 1.00 0.55 C ATOM 812 CE LYS A 53 -18.717 -3.877 8.668 1.00 0.62 C ATOM 813 NZ LYS A 53 -20.171 -3.716 8.924 1.00 0.74 N ATOM 0 H LYS A 53 -15.056 -3.165 8.448 1.00 0.38 H new ATOM 0 HA LYS A 53 -14.021 -5.772 8.440 1.00 0.37 H new ATOM 0 HB2 LYS A 53 -16.687 -4.776 7.333 1.00 0.44 H new ATOM 0 HB3 LYS A 53 -16.344 -6.392 7.917 1.00 0.44 H new ATOM 0 HG2 LYS A 53 -16.156 -5.619 10.198 1.00 0.54 H new ATOM 0 HG3 LYS A 53 -16.191 -3.940 9.698 1.00 0.54 H new ATOM 0 HD2 LYS A 53 -18.479 -5.916 9.303 1.00 0.55 H new ATOM 0 HD3 LYS A 53 -18.384 -4.746 10.605 1.00 0.55 H new ATOM 0 HE2 LYS A 53 -18.214 -2.923 8.823 1.00 0.62 H new ATOM 0 HE3 LYS A 53 -18.561 -4.154 7.625 1.00 0.62 H new ATOM 0 HZ1 LYS A 53 -20.557 -2.989 8.289 1.00 0.74 H new ATOM 0 HZ2 LYS A 53 -20.656 -4.620 8.751 1.00 0.74 H new ATOM 0 HZ3 LYS A 53 -20.320 -3.427 9.912 1.00 0.74 H new ATOM 827 N LYS A 54 -13.139 -6.041 6.104 1.00 0.30 N ATOM 828 CA LYS A 54 -12.749 -6.431 4.745 1.00 0.29 C ATOM 829 C LYS A 54 -11.514 -7.326 4.732 1.00 0.27 C ATOM 830 O LYS A 54 -10.541 -7.097 5.456 1.00 0.30 O ATOM 831 CB LYS A 54 -12.482 -5.188 3.863 1.00 0.32 C ATOM 832 CG LYS A 54 -11.589 -4.165 4.538 1.00 0.61 C ATOM 833 CD LYS A 54 -12.281 -2.832 4.690 1.00 0.58 C ATOM 834 CE LYS A 54 -12.402 -2.123 3.360 1.00 0.49 C ATOM 835 NZ LYS A 54 -13.453 -1.077 3.380 1.00 0.82 N ATOM 0 H LYS A 54 -12.447 -6.256 6.822 1.00 0.30 H new ATOM 0 HA LYS A 54 -13.588 -6.996 4.338 1.00 0.29 H new ATOM 0 HB2 LYS A 54 -12.020 -5.505 2.928 1.00 0.32 H new ATOM 0 HB3 LYS A 54 -13.432 -4.720 3.607 1.00 0.32 H new ATOM 0 HG2 LYS A 54 -11.291 -4.534 5.519 1.00 0.61 H new ATOM 0 HG3 LYS A 54 -10.677 -4.037 3.955 1.00 0.61 H new ATOM 0 HD2 LYS A 54 -13.273 -2.981 5.117 1.00 0.58 H new ATOM 0 HD3 LYS A 54 -11.724 -2.208 5.388 1.00 0.58 H new ATOM 0 HE2 LYS A 54 -11.445 -1.670 3.103 1.00 0.49 H new ATOM 0 HE3 LYS A 54 -12.630 -2.851 2.581 1.00 0.49 H new ATOM 0 HZ1 LYS A 54 -13.502 -0.616 2.449 1.00 0.82 H new ATOM 0 HZ2 LYS A 54 -14.372 -1.512 3.600 1.00 0.82 H new ATOM 0 HZ3 LYS A 54 -13.223 -0.368 4.105 1.00 0.82 H new ATOM 849 N VAL A 55 -11.569 -8.350 3.893 1.00 0.25 N ATOM 850 CA VAL A 55 -10.455 -9.277 3.745 1.00 0.25 C ATOM 851 C VAL A 55 -9.585 -8.849 2.568 1.00 0.24 C ATOM 852 O VAL A 55 -10.090 -8.368 1.557 1.00 0.26 O ATOM 853 CB VAL A 55 -10.927 -10.732 3.539 1.00 0.28 C ATOM 854 CG1 VAL A 55 -9.771 -11.705 3.750 1.00 0.31 C ATOM 855 CG2 VAL A 55 -12.080 -11.054 4.479 1.00 0.31 C ATOM 0 H VAL A 55 -12.374 -8.561 3.303 1.00 0.25 H new ATOM 0 HA VAL A 55 -9.879 -9.247 4.670 1.00 0.25 H new ATOM 0 HB VAL A 55 -11.280 -10.840 2.513 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -10.123 -12.726 3.601 1.00 0.31 H new ATOM 0 HG12 VAL A 55 -8.977 -11.487 3.036 1.00 0.31 H new ATOM 0 HG13 VAL A 55 -9.386 -11.599 4.764 1.00 0.31 H new ATOM 0 HG21 VAL A 55 -12.401 -12.084 4.321 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -11.753 -10.930 5.511 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -12.912 -10.379 4.278 1.00 0.31 H new ATOM 865 N HIS A 56 -8.280 -9.017 2.696 1.00 0.23 N ATOM 866 CA HIS A 56 -7.353 -8.619 1.645 1.00 0.24 C ATOM 867 C HIS A 56 -6.603 -9.824 1.101 1.00 0.24 C ATOM 868 O HIS A 56 -5.887 -10.490 1.844 1.00 0.25 O ATOM 869 CB HIS A 56 -6.342 -7.602 2.187 1.00 0.25 C ATOM 870 CG HIS A 56 -6.861 -6.202 2.270 1.00 0.25 C ATOM 871 ND1 HIS A 56 -7.945 -5.842 3.039 1.00 0.28 N ATOM 872 CD2 HIS A 56 -6.428 -5.066 1.672 1.00 0.27 C ATOM 873 CE1 HIS A 56 -8.162 -4.549 2.911 1.00 0.30 C ATOM 874 NE2 HIS A 56 -7.257 -4.048 2.084 1.00 0.30 N ATOM 0 H HIS A 56 -7.836 -9.427 3.518 1.00 0.23 H new ATOM 0 HA HIS A 56 -7.933 -8.167 0.840 1.00 0.24 H new ATOM 0 HB2 HIS A 56 -6.023 -7.918 3.180 1.00 0.25 H new ATOM 0 HB3 HIS A 56 -5.457 -7.612 1.550 1.00 0.25 H new ATOM 0 HD2 HIS A 56 -5.589 -4.976 0.998 1.00 0.27 H new ATOM 0 HE1 HIS A 56 -8.947 -3.991 3.399 1.00 0.30 H new ATOM 0 HE2 HIS A 56 -7.186 -3.071 1.800 1.00 0.30 H new ATOM 883 N VAL A 57 -6.766 -10.095 -0.189 1.00 0.23 N ATOM 884 CA VAL A 57 -6.086 -11.205 -0.826 1.00 0.23 C ATOM 885 C VAL A 57 -5.599 -10.762 -2.212 1.00 0.24 C ATOM 886 O VAL A 57 -6.337 -10.131 -2.997 1.00 0.24 O ATOM 887 CB VAL A 57 -6.987 -12.475 -0.901 1.00 0.24 C ATOM 888 CG1 VAL A 57 -7.753 -12.573 -2.214 1.00 0.32 C ATOM 889 CG2 VAL A 57 -6.164 -13.738 -0.665 1.00 0.27 C ATOM 0 H VAL A 57 -7.367 -9.556 -0.812 1.00 0.23 H new ATOM 0 HA VAL A 57 -5.224 -11.488 -0.222 1.00 0.23 H new ATOM 0 HB VAL A 57 -7.727 -12.382 -0.107 1.00 0.24 H new ATOM 0 HG11 VAL A 57 -8.364 -13.476 -2.212 1.00 0.32 H new ATOM 0 HG12 VAL A 57 -8.396 -11.700 -2.326 1.00 0.32 H new ATOM 0 HG13 VAL A 57 -7.048 -12.614 -3.044 1.00 0.32 H new ATOM 0 HG21 VAL A 57 -6.814 -14.611 -0.722 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -5.387 -13.813 -1.426 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -5.703 -13.693 0.322 1.00 0.27 H new ATOM 899 N PHE A 58 -4.341 -11.024 -2.505 1.00 0.24 N ATOM 900 CA PHE A 58 -3.780 -10.625 -3.771 1.00 0.25 C ATOM 901 C PHE A 58 -2.559 -11.462 -4.088 1.00 0.25 C ATOM 902 O PHE A 58 -1.868 -11.944 -3.185 1.00 0.26 O ATOM 903 CB PHE A 58 -3.418 -9.123 -3.796 1.00 0.26 C ATOM 904 CG PHE A 58 -3.308 -8.460 -2.423 1.00 0.25 C ATOM 905 CD1 PHE A 58 -2.130 -8.477 -1.663 1.00 0.25 C ATOM 906 CD2 PHE A 58 -4.423 -7.829 -1.882 1.00 0.27 C ATOM 907 CE1 PHE A 58 -2.091 -7.886 -0.410 1.00 0.26 C ATOM 908 CE2 PHE A 58 -4.375 -7.234 -0.634 1.00 0.28 C ATOM 909 CZ PHE A 58 -3.211 -7.264 0.102 1.00 0.27 C ATOM 0 H PHE A 58 -3.694 -11.509 -1.884 1.00 0.24 H new ATOM 0 HA PHE A 58 -4.541 -10.791 -4.534 1.00 0.25 H new ATOM 0 HB2 PHE A 58 -2.469 -9.003 -4.318 1.00 0.26 H new ATOM 0 HB3 PHE A 58 -4.171 -8.593 -4.379 1.00 0.26 H new ATOM 0 HD1 PHE A 58 -1.245 -8.955 -2.057 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -5.343 -7.803 -2.447 1.00 0.27 H new ATOM 0 HE1 PHE A 58 -1.179 -7.912 0.168 1.00 0.26 H new ATOM 0 HE2 PHE A 58 -5.252 -6.745 -0.236 1.00 0.28 H new ATOM 0 HZ PHE A 58 -3.175 -6.802 1.077 1.00 0.27 H new ATOM 919 N LYS A 59 -2.338 -11.663 -5.371 1.00 0.25 N ATOM 920 CA LYS A 59 -1.197 -12.407 -5.849 1.00 0.26 C ATOM 921 C LYS A 59 -0.059 -11.419 -5.993 1.00 0.25 C ATOM 922 O LYS A 59 -0.313 -10.244 -6.254 1.00 0.26 O ATOM 923 CB LYS A 59 -1.542 -13.054 -7.194 1.00 0.28 C ATOM 924 CG LYS A 59 -0.499 -14.031 -7.709 1.00 0.32 C ATOM 925 CD LYS A 59 -1.006 -14.801 -8.923 1.00 0.40 C ATOM 926 CE LYS A 59 -2.097 -15.793 -8.541 1.00 0.49 C ATOM 927 NZ LYS A 59 -3.363 -15.558 -9.287 1.00 0.61 N ATOM 0 H LYS A 59 -2.947 -11.313 -6.111 1.00 0.25 H new ATOM 0 HA LYS A 59 -0.915 -13.205 -5.162 1.00 0.26 H new ATOM 0 HB2 LYS A 59 -2.494 -13.576 -7.098 1.00 0.28 H new ATOM 0 HB3 LYS A 59 -1.683 -12.268 -7.936 1.00 0.28 H new ATOM 0 HG2 LYS A 59 0.409 -13.489 -7.974 1.00 0.32 H new ATOM 0 HG3 LYS A 59 -0.233 -14.732 -6.918 1.00 0.32 H new ATOM 0 HD2 LYS A 59 -1.393 -14.101 -9.663 1.00 0.40 H new ATOM 0 HD3 LYS A 59 -0.177 -15.333 -9.390 1.00 0.40 H new ATOM 0 HE2 LYS A 59 -1.747 -16.807 -8.735 1.00 0.49 H new ATOM 0 HE3 LYS A 59 -2.290 -15.722 -7.471 1.00 0.49 H new ATOM 0 HZ1 LYS A 59 -4.028 -16.335 -9.096 1.00 0.61 H new ATOM 0 HZ2 LYS A 59 -3.784 -14.658 -8.981 1.00 0.61 H new ATOM 0 HZ3 LYS A 59 -3.163 -15.517 -10.307 1.00 0.61 H new ATOM 941 N ALA A 60 1.180 -11.831 -5.800 1.00 0.26 N ATOM 942 CA ALA A 60 2.282 -10.901 -5.925 1.00 0.26 C ATOM 943 C ALA A 60 3.574 -11.667 -6.126 1.00 0.26 C ATOM 944 O ALA A 60 3.690 -12.813 -5.691 1.00 0.29 O ATOM 945 CB ALA A 60 2.382 -10.028 -4.669 1.00 0.26 C ATOM 0 H ALA A 60 1.444 -12.787 -5.560 1.00 0.26 H new ATOM 0 HA ALA A 60 2.108 -10.256 -6.786 1.00 0.26 H new ATOM 0 HB1 ALA A 60 3.215 -9.332 -4.775 1.00 0.26 H new ATOM 0 HB2 ALA A 60 1.456 -9.468 -4.540 1.00 0.26 H new ATOM 0 HB3 ALA A 60 2.547 -10.662 -3.798 1.00 0.26 H new ATOM 951 N TRP A 61 4.535 -11.042 -6.788 1.00 0.24 N ATOM 952 CA TRP A 61 5.817 -11.686 -7.027 1.00 0.25 C ATOM 953 C TRP A 61 6.951 -10.665 -7.014 1.00 0.25 C ATOM 954 O TRP A 61 6.704 -9.459 -6.962 1.00 0.26 O ATOM 955 CB TRP A 61 5.783 -12.491 -8.335 1.00 0.27 C ATOM 956 CG TRP A 61 5.894 -11.678 -9.589 1.00 0.29 C ATOM 957 CD1 TRP A 61 7.043 -11.383 -10.253 1.00 0.33 C ATOM 958 CD2 TRP A 61 4.826 -11.083 -10.341 1.00 0.32 C ATOM 959 NE1 TRP A 61 6.769 -10.638 -11.371 1.00 0.37 N ATOM 960 CE2 TRP A 61 5.410 -10.438 -11.451 1.00 0.36 C ATOM 961 CE3 TRP A 61 3.436 -11.030 -10.187 1.00 0.34 C ATOM 962 CZ2 TRP A 61 4.647 -9.751 -12.400 1.00 0.41 C ATOM 963 CZ3 TRP A 61 2.687 -10.351 -11.129 1.00 0.39 C ATOM 964 CH2 TRP A 61 3.292 -9.722 -12.222 1.00 0.42 C ATOM 0 H TRP A 61 4.453 -10.098 -7.166 1.00 0.24 H new ATOM 0 HA TRP A 61 6.009 -12.389 -6.216 1.00 0.25 H new ATOM 0 HB2 TRP A 61 6.597 -13.216 -8.318 1.00 0.27 H new ATOM 0 HB3 TRP A 61 4.853 -13.058 -8.370 1.00 0.27 H new ATOM 0 HD1 TRP A 61 8.031 -11.691 -9.944 1.00 0.33 H new ATOM 0 HE1 TRP A 61 7.460 -10.289 -12.035 1.00 0.37 H new ATOM 0 HE3 TRP A 61 2.957 -11.511 -9.347 1.00 0.34 H new ATOM 0 HZ2 TRP A 61 5.111 -9.261 -13.243 1.00 0.41 H new ATOM 0 HZ3 TRP A 61 1.614 -10.305 -11.019 1.00 0.39 H new ATOM 0 HH2 TRP A 61 2.676 -9.202 -12.941 1.00 0.42 H new ATOM 975 N LYS A 62 8.190 -11.148 -7.052 1.00 0.27 N ATOM 976 CA LYS A 62 9.355 -10.268 -6.998 1.00 0.29 C ATOM 977 C LYS A 62 10.273 -10.408 -8.219 1.00 0.30 C ATOM 978 O LYS A 62 10.437 -11.492 -8.775 1.00 0.31 O ATOM 979 CB LYS A 62 10.164 -10.569 -5.736 1.00 0.33 C ATOM 980 CG LYS A 62 9.819 -9.692 -4.545 1.00 0.41 C ATOM 981 CD LYS A 62 10.521 -10.179 -3.290 1.00 0.43 C ATOM 982 CE LYS A 62 10.420 -9.174 -2.158 1.00 0.56 C ATOM 983 NZ LYS A 62 11.380 -8.046 -2.295 1.00 0.57 N ATOM 0 H LYS A 62 8.413 -12.141 -7.120 1.00 0.27 H new ATOM 0 HA LYS A 62 8.976 -9.246 -6.989 1.00 0.29 H new ATOM 0 HB2 LYS A 62 10.009 -11.612 -5.460 1.00 0.33 H new ATOM 0 HB3 LYS A 62 11.224 -10.453 -5.962 1.00 0.33 H new ATOM 0 HG2 LYS A 62 10.109 -8.662 -4.751 1.00 0.41 H new ATOM 0 HG3 LYS A 62 8.741 -9.695 -4.387 1.00 0.41 H new ATOM 0 HD2 LYS A 62 10.084 -11.126 -2.974 1.00 0.43 H new ATOM 0 HD3 LYS A 62 11.571 -10.371 -3.513 1.00 0.43 H new ATOM 0 HE2 LYS A 62 9.405 -8.778 -2.121 1.00 0.56 H new ATOM 0 HE3 LYS A 62 10.599 -9.683 -1.211 1.00 0.56 H new ATOM 0 HZ1 LYS A 62 11.039 -7.231 -1.745 1.00 0.57 H new ATOM 0 HZ2 LYS A 62 12.312 -8.338 -1.939 1.00 0.57 H new ATOM 0 HZ3 LYS A 62 11.460 -7.778 -3.297 1.00 0.57 H new ATOM 997 N GLU A 63 10.865 -9.288 -8.620 1.00 0.31 N ATOM 998 CA GLU A 63 11.802 -9.250 -9.738 1.00 0.34 C ATOM 999 C GLU A 63 13.161 -8.732 -9.272 1.00 0.35 C ATOM 1000 O GLU A 63 13.266 -7.602 -8.795 1.00 0.35 O ATOM 1001 CB GLU A 63 11.268 -8.342 -10.841 1.00 0.38 C ATOM 1002 CG GLU A 63 10.498 -9.085 -11.914 1.00 0.46 C ATOM 1003 CD GLU A 63 11.420 -9.674 -12.953 1.00 0.63 C ATOM 1004 OE1 GLU A 63 12.416 -10.328 -12.574 1.00 0.90 O ATOM 1005 OE2 GLU A 63 11.171 -9.474 -14.160 1.00 0.98 O ATOM 0 H GLU A 63 10.709 -8.381 -8.180 1.00 0.31 H new ATOM 0 HA GLU A 63 11.916 -10.262 -10.126 1.00 0.34 H new ATOM 0 HB2 GLU A 63 10.620 -7.586 -10.397 1.00 0.38 H new ATOM 0 HB3 GLU A 63 12.103 -7.815 -11.303 1.00 0.38 H new ATOM 0 HG2 GLU A 63 9.910 -9.880 -11.456 1.00 0.46 H new ATOM 0 HG3 GLU A 63 9.795 -8.405 -12.395 1.00 0.46 H new ATOM 1012 N ILE A 64 14.193 -9.556 -9.392 1.00 0.36 N ATOM 1013 CA ILE A 64 15.539 -9.158 -8.974 1.00 0.39 C ATOM 1014 C ILE A 64 16.135 -8.139 -9.949 1.00 0.38 C ATOM 1015 O ILE A 64 16.717 -8.516 -10.967 1.00 0.39 O ATOM 1016 CB ILE A 64 16.485 -10.374 -8.874 1.00 0.44 C ATOM 1017 CG1 ILE A 64 15.780 -11.535 -8.169 1.00 0.48 C ATOM 1018 CG2 ILE A 64 17.763 -9.996 -8.134 1.00 0.50 C ATOM 1019 CD1 ILE A 64 16.610 -12.799 -8.086 1.00 0.60 C ATOM 0 H ILE A 64 14.129 -10.500 -9.773 1.00 0.36 H new ATOM 0 HA ILE A 64 15.444 -8.705 -7.987 1.00 0.39 H new ATOM 0 HB ILE A 64 16.754 -10.691 -9.882 1.00 0.44 H new ATOM 0 HG12 ILE A 64 15.509 -11.224 -7.160 1.00 0.48 H new ATOM 0 HG13 ILE A 64 14.851 -11.756 -8.695 1.00 0.48 H new ATOM 0 HG21 ILE A 64 18.418 -10.865 -8.073 1.00 0.50 H new ATOM 0 HG22 ILE A 64 18.271 -9.195 -8.671 1.00 0.50 H new ATOM 0 HG23 ILE A 64 17.514 -9.657 -7.128 1.00 0.50 H new ATOM 0 HD11 ILE A 64 16.041 -13.575 -7.573 1.00 0.60 H new ATOM 0 HD12 ILE A 64 16.860 -13.137 -9.092 1.00 0.60 H new ATOM 0 HD13 ILE A 64 17.527 -12.596 -7.533 1.00 0.60 H new ATOM 1031 N VAL A 65 16.005 -6.854 -9.619 1.00 0.38 N ATOM 1032 CA VAL A 65 16.512 -5.774 -10.471 1.00 0.40 C ATOM 1033 C VAL A 65 16.764 -4.506 -9.658 1.00 0.42 C ATOM 1034 O VAL A 65 16.086 -4.278 -8.657 1.00 0.42 O ATOM 1035 CB VAL A 65 15.533 -5.405 -11.624 1.00 0.41 C ATOM 1036 CG1 VAL A 65 15.684 -6.370 -12.816 1.00 0.47 C ATOM 1037 CG2 VAL A 65 14.090 -5.404 -11.127 1.00 0.43 C ATOM 0 H VAL A 65 15.551 -6.533 -8.764 1.00 0.38 H new ATOM 0 HA VAL A 65 17.440 -6.153 -10.899 1.00 0.40 H new ATOM 0 HB VAL A 65 15.787 -4.401 -11.965 1.00 0.41 H new ATOM 0 HG11 VAL A 65 14.987 -6.086 -13.605 1.00 0.47 H new ATOM 0 HG12 VAL A 65 16.704 -6.320 -13.198 1.00 0.47 H new ATOM 0 HG13 VAL A 65 15.468 -7.387 -12.490 1.00 0.47 H new ATOM 0 HG21 VAL A 65 13.422 -5.144 -11.948 1.00 0.43 H new ATOM 0 HG22 VAL A 65 13.834 -6.395 -10.751 1.00 0.43 H new ATOM 0 HG23 VAL A 65 13.982 -4.673 -10.326 1.00 0.43 H new ATOM 1047 N ASP A 66 17.788 -3.749 -10.085 1.00 0.44 N ATOM 1048 CA ASP A 66 18.199 -2.447 -9.506 1.00 0.47 C ATOM 1049 C ASP A 66 19.716 -2.389 -9.433 1.00 0.49 C ATOM 1050 O ASP A 66 20.399 -3.294 -9.924 1.00 0.50 O ATOM 1051 CB ASP A 66 17.621 -2.150 -8.114 1.00 0.49 C ATOM 1052 CG ASP A 66 16.789 -0.882 -8.083 1.00 0.59 C ATOM 1053 OD1 ASP A 66 17.319 0.190 -8.450 1.00 0.91 O ATOM 1054 OD2 ASP A 66 15.603 -0.944 -7.683 1.00 0.89 O ATOM 0 H ASP A 66 18.376 -4.031 -10.869 1.00 0.44 H new ATOM 0 HA ASP A 66 17.793 -1.685 -10.171 1.00 0.47 H new ATOM 0 HB2 ASP A 66 17.006 -2.991 -7.794 1.00 0.49 H new ATOM 0 HB3 ASP A 66 18.438 -2.061 -7.398 1.00 0.49 H new ATOM 1059 N ALA A 67 20.234 -1.337 -8.805 1.00 0.51 N ATOM 1060 CA ALA A 67 21.673 -1.138 -8.667 1.00 0.54 C ATOM 1061 C ALA A 67 21.949 0.090 -7.803 1.00 0.53 C ATOM 1062 O ALA A 67 21.049 0.911 -7.604 1.00 0.52 O ATOM 1063 CB ALA A 67 22.316 -0.972 -10.040 1.00 0.60 C ATOM 0 H ALA A 67 19.670 -0.601 -8.379 1.00 0.51 H new ATOM 0 HA ALA A 67 22.106 -2.014 -8.183 1.00 0.54 H new ATOM 0 HB1 ALA A 67 23.390 -0.824 -9.923 1.00 0.60 H new ATOM 0 HB2 ALA A 67 22.135 -1.866 -10.637 1.00 0.60 H new ATOM 0 HB3 ALA A 67 21.883 -0.107 -10.542 1.00 0.60 H new ATOM 1069 N PRO A 68 23.172 0.219 -7.241 1.00 0.56 N ATOM 1070 CA PRO A 68 23.534 1.371 -6.407 1.00 0.56 C ATOM 1071 C PRO A 68 23.303 2.698 -7.140 1.00 0.56 C ATOM 1072 O PRO A 68 24.127 3.129 -7.944 1.00 0.59 O ATOM 1073 CB PRO A 68 25.028 1.165 -6.107 1.00 0.60 C ATOM 1074 CG PRO A 68 25.492 0.098 -7.041 1.00 0.82 C ATOM 1075 CD PRO A 68 24.289 -0.742 -7.353 1.00 0.60 C ATOM 0 HA PRO A 68 22.925 1.428 -5.505 1.00 0.56 H new ATOM 0 HB2 PRO A 68 25.588 2.088 -6.260 1.00 0.60 H new ATOM 0 HB3 PRO A 68 25.180 0.868 -5.069 1.00 0.60 H new ATOM 0 HG2 PRO A 68 25.910 0.532 -7.950 1.00 0.82 H new ATOM 0 HG3 PRO A 68 26.278 -0.503 -6.584 1.00 0.82 H new ATOM 0 HD2 PRO A 68 24.348 -1.177 -8.351 1.00 0.60 H new ATOM 0 HD3 PRO A 68 24.181 -1.569 -6.651 1.00 0.60 H new ATOM 1083 N LYS A 69 22.154 3.315 -6.882 1.00 0.55 N ATOM 1084 CA LYS A 69 21.806 4.584 -7.509 1.00 0.58 C ATOM 1085 C LYS A 69 21.966 5.731 -6.519 1.00 0.56 C ATOM 1086 O LYS A 69 23.029 5.901 -5.932 1.00 0.61 O ATOM 1087 CB LYS A 69 20.377 4.536 -8.057 1.00 0.61 C ATOM 1088 CG LYS A 69 20.200 3.549 -9.200 1.00 0.67 C ATOM 1089 CD LYS A 69 18.786 3.586 -9.768 1.00 0.79 C ATOM 1090 CE LYS A 69 17.737 3.366 -8.690 1.00 1.27 C ATOM 1091 NZ LYS A 69 16.555 2.631 -9.212 1.00 1.12 N ATOM 0 H LYS A 69 21.447 2.955 -6.241 1.00 0.55 H new ATOM 0 HA LYS A 69 22.487 4.756 -8.343 1.00 0.58 H new ATOM 0 HB2 LYS A 69 19.695 4.271 -7.249 1.00 0.61 H new ATOM 0 HB3 LYS A 69 20.094 5.531 -8.399 1.00 0.61 H new ATOM 0 HG2 LYS A 69 20.915 3.777 -9.991 1.00 0.67 H new ATOM 0 HG3 LYS A 69 20.424 2.542 -8.848 1.00 0.67 H new ATOM 0 HD2 LYS A 69 18.614 4.548 -10.251 1.00 0.79 H new ATOM 0 HD3 LYS A 69 18.683 2.820 -10.537 1.00 0.79 H new ATOM 0 HE2 LYS A 69 18.177 2.807 -7.864 1.00 1.27 H new ATOM 0 HE3 LYS A 69 17.419 4.329 -8.290 1.00 1.27 H new ATOM 0 HZ1 LYS A 69 15.747 2.775 -8.574 1.00 1.12 H new ATOM 0 HZ2 LYS A 69 16.316 2.987 -10.160 1.00 1.12 H new ATOM 0 HZ3 LYS A 69 16.775 1.616 -9.269 1.00 1.12 H new ATOM 1105 N ASN A 70 20.899 6.494 -6.306 1.00 0.57 N ATOM 1106 CA ASN A 70 20.929 7.625 -5.385 1.00 0.57 C ATOM 1107 C ASN A 70 20.043 7.332 -4.182 1.00 0.51 C ATOM 1108 O ASN A 70 19.532 8.241 -3.526 1.00 0.52 O ATOM 1109 CB ASN A 70 20.453 8.897 -6.098 1.00 0.61 C ATOM 1110 CG ASN A 70 19.078 8.739 -6.724 1.00 0.59 C ATOM 1111 OD1 ASN A 70 18.940 8.242 -7.846 1.00 0.65 O ATOM 1112 ND2 ASN A 70 18.050 9.146 -6.003 1.00 0.57 N ATOM 0 H ASN A 70 19.998 6.349 -6.761 1.00 0.57 H new ATOM 0 HA ASN A 70 21.952 7.780 -5.042 1.00 0.57 H new ATOM 0 HB2 ASN A 70 20.431 9.721 -5.385 1.00 0.61 H new ATOM 0 HB3 ASN A 70 21.172 9.165 -6.873 1.00 0.61 H new ATOM 0 HD21 ASN A 70 17.102 9.055 -6.369 1.00 0.57 H new ATOM 0 HD22 ASN A 70 18.203 9.552 -5.080 1.00 0.57 H new ATOM 1119 N ARG A 71 19.893 6.045 -3.893 1.00 0.47 N ATOM 1120 CA ARG A 71 19.059 5.589 -2.791 1.00 0.42 C ATOM 1121 C ARG A 71 19.736 5.855 -1.455 1.00 0.45 C ATOM 1122 O ARG A 71 20.966 5.896 -1.378 1.00 0.54 O ATOM 1123 CB ARG A 71 18.758 4.093 -2.934 1.00 0.40 C ATOM 1124 CG ARG A 71 17.472 3.804 -3.690 1.00 0.46 C ATOM 1125 CD ARG A 71 17.743 3.359 -5.116 1.00 0.62 C ATOM 1126 NE ARG A 71 18.211 1.972 -5.184 1.00 0.65 N ATOM 1127 CZ ARG A 71 17.427 0.910 -4.948 1.00 0.89 C ATOM 1128 NH1 ARG A 71 16.137 1.078 -4.658 1.00 1.03 N ATOM 1129 NH2 ARG A 71 17.926 -0.321 -5.007 1.00 1.22 N ATOM 0 H ARG A 71 20.344 5.293 -4.414 1.00 0.47 H new ATOM 0 HA ARG A 71 18.122 6.145 -2.823 1.00 0.42 H new ATOM 0 HB2 ARG A 71 19.589 3.611 -3.449 1.00 0.40 H new ATOM 0 HB3 ARG A 71 18.695 3.646 -1.942 1.00 0.40 H new ATOM 0 HG2 ARG A 71 16.910 3.029 -3.168 1.00 0.46 H new ATOM 0 HG3 ARG A 71 16.848 4.698 -3.701 1.00 0.46 H new ATOM 0 HD2 ARG A 71 16.833 3.463 -5.706 1.00 0.62 H new ATOM 0 HD3 ARG A 71 18.490 4.015 -5.564 1.00 0.62 H new ATOM 0 HE ARG A 71 19.188 1.805 -5.424 1.00 0.65 H new ATOM 0 HH11 ARG A 71 15.742 2.017 -4.615 1.00 1.03 H new ATOM 0 HH12 ARG A 71 15.545 0.267 -4.479 1.00 1.03 H new ATOM 0 HH21 ARG A 71 18.911 -0.462 -5.233 1.00 1.22 H new ATOM 0 HH22 ARG A 71 17.324 -1.124 -4.826 1.00 1.22 H new ATOM 1143 N PRO A 72 18.940 6.030 -0.388 1.00 0.41 N ATOM 1144 CA PRO A 72 19.459 6.299 0.953 1.00 0.45 C ATOM 1145 C PRO A 72 20.399 5.194 1.429 1.00 0.46 C ATOM 1146 O PRO A 72 20.075 4.011 1.343 1.00 0.45 O ATOM 1147 CB PRO A 72 18.195 6.389 1.820 1.00 0.44 C ATOM 1148 CG PRO A 72 17.132 5.710 1.036 1.00 0.39 C ATOM 1149 CD PRO A 72 17.467 5.971 -0.400 1.00 0.37 C ATOM 0 HA PRO A 72 20.060 7.207 0.996 1.00 0.45 H new ATOM 0 HB2 PRO A 72 18.344 5.903 2.784 1.00 0.44 H new ATOM 0 HB3 PRO A 72 17.931 7.427 2.024 1.00 0.44 H new ATOM 0 HG2 PRO A 72 17.111 4.641 1.246 1.00 0.39 H new ATOM 0 HG3 PRO A 72 16.147 6.103 1.287 1.00 0.39 H new ATOM 0 HD2 PRO A 72 17.100 5.178 -1.051 1.00 0.37 H new ATOM 0 HD3 PRO A 72 17.028 6.904 -0.754 1.00 0.37 H new ATOM 1157 N ALA A 73 21.562 5.629 1.922 1.00 0.50 N ATOM 1158 CA ALA A 73 22.658 4.768 2.405 1.00 0.55 C ATOM 1159 C ALA A 73 22.222 3.400 2.937 1.00 0.53 C ATOM 1160 O ALA A 73 22.728 2.376 2.483 1.00 0.55 O ATOM 1161 CB ALA A 73 23.467 5.504 3.472 1.00 0.61 C ATOM 0 H ALA A 73 21.779 6.623 2.001 1.00 0.50 H new ATOM 0 HA ALA A 73 23.268 4.558 1.526 1.00 0.55 H new ATOM 0 HB1 ALA A 73 24.274 4.862 3.824 1.00 0.61 H new ATOM 0 HB2 ALA A 73 23.887 6.415 3.046 1.00 0.61 H new ATOM 0 HB3 ALA A 73 22.817 5.761 4.309 1.00 0.61 H new ATOM 1167 N TRP A 74 21.311 3.387 3.902 1.00 0.52 N ATOM 1168 CA TRP A 74 20.848 2.138 4.512 1.00 0.53 C ATOM 1169 C TRP A 74 20.276 1.134 3.507 1.00 0.50 C ATOM 1170 O TRP A 74 20.546 -0.058 3.623 1.00 0.52 O ATOM 1171 CB TRP A 74 19.839 2.417 5.631 1.00 0.55 C ATOM 1172 CG TRP A 74 19.890 3.811 6.147 1.00 0.55 C ATOM 1173 CD1 TRP A 74 20.803 4.328 7.014 1.00 0.61 C ATOM 1174 CD2 TRP A 74 18.982 4.870 5.832 1.00 0.52 C ATOM 1175 NE1 TRP A 74 20.507 5.639 7.271 1.00 0.61 N ATOM 1176 CE2 TRP A 74 19.395 5.995 6.557 1.00 0.55 C ATOM 1177 CE3 TRP A 74 17.857 4.976 5.013 1.00 0.47 C ATOM 1178 CZ2 TRP A 74 18.723 7.207 6.492 1.00 0.55 C ATOM 1179 CZ3 TRP A 74 17.198 6.189 4.949 1.00 0.48 C ATOM 1180 CH2 TRP A 74 17.632 7.287 5.685 1.00 0.51 C ATOM 0 H TRP A 74 20.875 4.227 4.283 1.00 0.52 H new ATOM 0 HA TRP A 74 21.735 1.668 4.936 1.00 0.53 H new ATOM 0 HB2 TRP A 74 18.834 2.212 5.262 1.00 0.55 H new ATOM 0 HB3 TRP A 74 20.023 1.727 6.455 1.00 0.55 H new ATOM 0 HD1 TRP A 74 21.636 3.785 7.436 1.00 0.61 H new ATOM 0 HE1 TRP A 74 21.031 6.253 7.895 1.00 0.61 H new ATOM 0 HE3 TRP A 74 17.509 4.128 4.442 1.00 0.47 H new ATOM 0 HZ2 TRP A 74 19.056 8.060 7.064 1.00 0.55 H new ATOM 0 HZ3 TRP A 74 16.329 6.287 4.315 1.00 0.48 H new ATOM 0 HH2 TRP A 74 17.092 8.220 5.614 1.00 0.51 H new ATOM 1191 N MET A 75 19.486 1.576 2.530 1.00 0.47 N ATOM 1192 CA MET A 75 18.921 0.651 1.543 1.00 0.45 C ATOM 1193 C MET A 75 19.369 1.003 0.120 1.00 0.43 C ATOM 1194 O MET A 75 18.626 1.633 -0.637 1.00 0.43 O ATOM 1195 CB MET A 75 17.393 0.670 1.619 1.00 0.47 C ATOM 1196 CG MET A 75 16.821 -0.157 2.763 1.00 0.66 C ATOM 1197 SD MET A 75 17.059 -1.934 2.541 1.00 1.13 S ATOM 1198 CE MET A 75 16.219 -2.209 0.984 1.00 1.43 C ATOM 0 H MET A 75 19.224 2.553 2.399 1.00 0.47 H new ATOM 0 HA MET A 75 19.288 -0.348 1.778 1.00 0.45 H new ATOM 0 HB2 MET A 75 17.057 1.701 1.726 1.00 0.47 H new ATOM 0 HB3 MET A 75 16.988 0.299 0.678 1.00 0.47 H new ATOM 0 HG2 MET A 75 17.290 0.152 3.697 1.00 0.66 H new ATOM 0 HG3 MET A 75 15.755 0.052 2.857 1.00 0.66 H new ATOM 0 HE1 MET A 75 15.723 -3.179 1.005 1.00 1.43 H new ATOM 0 HE2 MET A 75 15.478 -1.425 0.827 1.00 1.43 H new ATOM 0 HE3 MET A 75 16.945 -2.190 0.171 1.00 1.43 H new ATOM 1208 N PRO A 76 20.599 0.621 -0.254 1.00 0.46 N ATOM 1209 CA PRO A 76 21.155 0.878 -1.569 1.00 0.49 C ATOM 1210 C PRO A 76 21.137 -0.369 -2.459 1.00 0.48 C ATOM 1211 O PRO A 76 20.230 -1.198 -2.360 1.00 0.47 O ATOM 1212 CB PRO A 76 22.589 1.250 -1.192 1.00 0.59 C ATOM 1213 CG PRO A 76 22.908 0.402 0.007 1.00 0.61 C ATOM 1214 CD PRO A 76 21.590 -0.066 0.586 1.00 0.53 C ATOM 0 HA PRO A 76 20.610 1.628 -2.143 1.00 0.49 H new ATOM 0 HB2 PRO A 76 23.278 1.049 -2.012 1.00 0.59 H new ATOM 0 HB3 PRO A 76 22.673 2.311 -0.959 1.00 0.59 H new ATOM 0 HG2 PRO A 76 23.527 -0.449 -0.277 1.00 0.61 H new ATOM 0 HG3 PRO A 76 23.471 0.974 0.744 1.00 0.61 H new ATOM 0 HD2 PRO A 76 21.486 -1.150 0.529 1.00 0.53 H new ATOM 0 HD3 PRO A 76 21.490 0.209 1.636 1.00 0.53 H new ATOM 1222 N GLU A 77 22.148 -0.482 -3.322 1.00 0.49 N ATOM 1223 CA GLU A 77 22.315 -1.618 -4.224 1.00 0.49 C ATOM 1224 C GLU A 77 21.056 -1.987 -5.012 1.00 0.47 C ATOM 1225 O GLU A 77 20.470 -1.152 -5.710 1.00 0.47 O ATOM 1226 CB GLU A 77 22.844 -2.822 -3.445 1.00 0.51 C ATOM 1227 CG GLU A 77 24.298 -2.661 -3.062 1.00 0.60 C ATOM 1228 CD GLU A 77 25.230 -2.860 -4.237 1.00 0.75 C ATOM 1229 OE1 GLU A 77 25.158 -3.922 -4.888 1.00 1.25 O ATOM 1230 OE2 GLU A 77 26.037 -1.956 -4.519 1.00 1.38 O ATOM 0 H GLU A 77 22.881 0.222 -3.414 1.00 0.49 H new ATOM 0 HA GLU A 77 23.041 -1.310 -4.976 1.00 0.49 H new ATOM 0 HB2 GLU A 77 22.246 -2.961 -2.544 1.00 0.51 H new ATOM 0 HB3 GLU A 77 22.726 -3.723 -4.048 1.00 0.51 H new ATOM 0 HG2 GLU A 77 24.453 -1.666 -2.644 1.00 0.60 H new ATOM 0 HG3 GLU A 77 24.546 -3.378 -2.279 1.00 0.60 H new ATOM 1237 N LYS A 78 20.617 -3.227 -4.864 1.00 0.46 N ATOM 1238 CA LYS A 78 19.481 -3.720 -5.622 1.00 0.45 C ATOM 1239 C LYS A 78 18.606 -4.619 -4.777 1.00 0.42 C ATOM 1240 O LYS A 78 19.077 -5.230 -3.820 1.00 0.44 O ATOM 1241 CB LYS A 78 19.968 -4.473 -6.867 1.00 0.50 C ATOM 1242 CG LYS A 78 20.872 -5.658 -6.562 1.00 0.55 C ATOM 1243 CD LYS A 78 22.342 -5.284 -6.675 1.00 0.66 C ATOM 1244 CE LYS A 78 23.235 -6.329 -6.023 1.00 0.78 C ATOM 1245 NZ LYS A 78 24.675 -6.065 -6.267 1.00 0.90 N ATOM 0 H LYS A 78 21.030 -3.908 -4.227 1.00 0.46 H new ATOM 0 HA LYS A 78 18.882 -2.863 -5.931 1.00 0.45 H new ATOM 0 HB2 LYS A 78 19.102 -4.825 -7.427 1.00 0.50 H new ATOM 0 HB3 LYS A 78 20.504 -3.777 -7.513 1.00 0.50 H new ATOM 0 HG2 LYS A 78 20.665 -6.025 -5.557 1.00 0.55 H new ATOM 0 HG3 LYS A 78 20.649 -6.473 -7.251 1.00 0.55 H new ATOM 0 HD2 LYS A 78 22.612 -5.178 -7.726 1.00 0.66 H new ATOM 0 HD3 LYS A 78 22.509 -4.316 -6.204 1.00 0.66 H new ATOM 0 HE2 LYS A 78 23.047 -6.347 -4.949 1.00 0.78 H new ATOM 0 HE3 LYS A 78 22.978 -7.316 -6.408 1.00 0.78 H new ATOM 0 HZ1 LYS A 78 25.208 -6.956 -6.198 1.00 0.90 H new ATOM 0 HZ2 LYS A 78 24.798 -5.660 -7.217 1.00 0.90 H new ATOM 0 HZ3 LYS A 78 25.030 -5.394 -5.557 1.00 0.90 H new ATOM 1259 N ILE A 79 17.334 -4.704 -5.142 1.00 0.40 N ATOM 1260 CA ILE A 79 16.381 -5.522 -4.415 1.00 0.39 C ATOM 1261 C ILE A 79 15.320 -6.039 -5.367 1.00 0.36 C ATOM 1262 O ILE A 79 15.097 -5.463 -6.427 1.00 0.36 O ATOM 1263 CB ILE A 79 15.684 -4.734 -3.279 1.00 0.40 C ATOM 1264 CG1 ILE A 79 15.337 -3.316 -3.747 1.00 0.46 C ATOM 1265 CG2 ILE A 79 16.553 -4.695 -2.029 1.00 0.49 C ATOM 1266 CD1 ILE A 79 14.461 -2.552 -2.778 1.00 0.59 C ATOM 0 H ILE A 79 16.939 -4.212 -5.943 1.00 0.40 H new ATOM 0 HA ILE A 79 16.937 -6.347 -3.970 1.00 0.39 H new ATOM 0 HB ILE A 79 14.758 -5.249 -3.025 1.00 0.40 H new ATOM 0 HG12 ILE A 79 16.261 -2.759 -3.905 1.00 0.46 H new ATOM 0 HG13 ILE A 79 14.832 -3.375 -4.711 1.00 0.46 H new ATOM 0 HG21 ILE A 79 16.040 -4.136 -1.247 1.00 0.49 H new ATOM 0 HG22 ILE A 79 16.741 -5.712 -1.684 1.00 0.49 H new ATOM 0 HG23 ILE A 79 17.501 -4.209 -2.260 1.00 0.49 H new ATOM 0 HD11 ILE A 79 14.258 -1.558 -3.177 1.00 0.59 H new ATOM 0 HD12 ILE A 79 13.521 -3.086 -2.638 1.00 0.59 H new ATOM 0 HD13 ILE A 79 14.972 -2.461 -1.820 1.00 0.59 H new ATOM 1278 N SER A 80 14.684 -7.130 -5.006 1.00 0.35 N ATOM 1279 CA SER A 80 13.644 -7.692 -5.842 1.00 0.34 C ATOM 1280 C SER A 80 12.379 -6.835 -5.750 1.00 0.33 C ATOM 1281 O SER A 80 11.778 -6.713 -4.678 1.00 0.35 O ATOM 1282 CB SER A 80 13.370 -9.127 -5.422 1.00 0.36 C ATOM 1283 OG SER A 80 14.574 -9.777 -5.041 1.00 0.64 O ATOM 0 H SER A 80 14.866 -7.645 -4.144 1.00 0.35 H new ATOM 0 HA SER A 80 13.972 -7.697 -6.881 1.00 0.34 H new ATOM 0 HB2 SER A 80 12.665 -9.140 -4.591 1.00 0.36 H new ATOM 0 HB3 SER A 80 12.903 -9.669 -6.244 1.00 0.36 H new ATOM 0 HG SER A 80 14.377 -10.699 -4.772 1.00 0.64 H new ATOM 1289 N LYS A 81 11.983 -6.256 -6.874 1.00 0.31 N ATOM 1290 CA LYS A 81 10.814 -5.394 -6.935 1.00 0.31 C ATOM 1291 C LYS A 81 9.544 -6.234 -6.909 1.00 0.30 C ATOM 1292 O LYS A 81 9.367 -7.107 -7.753 1.00 0.30 O ATOM 1293 CB LYS A 81 10.858 -4.557 -8.216 1.00 0.32 C ATOM 1294 CG LYS A 81 10.753 -3.057 -7.990 1.00 0.45 C ATOM 1295 CD LYS A 81 11.986 -2.494 -7.301 1.00 0.60 C ATOM 1296 CE LYS A 81 12.086 -0.985 -7.497 1.00 0.81 C ATOM 1297 NZ LYS A 81 13.188 -0.383 -6.700 1.00 0.98 N ATOM 0 H LYS A 81 12.462 -6.371 -7.767 1.00 0.31 H new ATOM 0 HA LYS A 81 10.815 -4.730 -6.071 1.00 0.31 H new ATOM 0 HB2 LYS A 81 11.789 -4.769 -8.742 1.00 0.32 H new ATOM 0 HB3 LYS A 81 10.044 -4.872 -8.869 1.00 0.32 H new ATOM 0 HG2 LYS A 81 10.613 -2.556 -8.948 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.871 -2.843 -7.386 1.00 0.45 H new ATOM 0 HD2 LYS A 81 11.947 -2.723 -6.236 1.00 0.60 H new ATOM 0 HD3 LYS A 81 12.880 -2.975 -7.699 1.00 0.60 H new ATOM 0 HE2 LYS A 81 12.244 -0.768 -8.553 1.00 0.81 H new ATOM 0 HE3 LYS A 81 11.141 -0.521 -7.214 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 13.163 0.652 -6.799 1.00 0.98 H new ATOM 0 HZ2 LYS A 81 13.071 -0.637 -5.698 1.00 0.98 H new ATOM 0 HZ3 LYS A 81 14.101 -0.742 -7.044 1.00 0.98 H new ATOM 1311 N PRO A 82 8.659 -6.006 -5.933 1.00 0.32 N ATOM 1312 CA PRO A 82 7.420 -6.755 -5.816 1.00 0.33 C ATOM 1313 C PRO A 82 6.262 -6.150 -6.614 1.00 0.31 C ATOM 1314 O PRO A 82 6.109 -4.932 -6.702 1.00 0.34 O ATOM 1315 CB PRO A 82 7.127 -6.709 -4.314 1.00 0.38 C ATOM 1316 CG PRO A 82 7.997 -5.637 -3.729 1.00 0.48 C ATOM 1317 CD PRO A 82 8.791 -5.026 -4.853 1.00 0.36 C ATOM 0 HA PRO A 82 7.521 -7.762 -6.222 1.00 0.33 H new ATOM 0 HB2 PRO A 82 6.074 -6.492 -4.133 1.00 0.38 H new ATOM 0 HB3 PRO A 82 7.338 -7.673 -3.850 1.00 0.38 H new ATOM 0 HG2 PRO A 82 7.389 -4.879 -3.234 1.00 0.48 H new ATOM 0 HG3 PRO A 82 8.663 -6.055 -2.974 1.00 0.48 H new ATOM 0 HD2 PRO A 82 8.394 -4.053 -5.143 1.00 0.36 H new ATOM 0 HD3 PRO A 82 9.833 -4.875 -4.573 1.00 0.36 H new ATOM 1325 N PHE A 83 5.460 -7.034 -7.198 1.00 0.30 N ATOM 1326 CA PHE A 83 4.312 -6.632 -8.006 1.00 0.29 C ATOM 1327 C PHE A 83 2.986 -6.860 -7.285 1.00 0.28 C ATOM 1328 O PHE A 83 2.574 -7.994 -7.047 1.00 0.27 O ATOM 1329 CB PHE A 83 4.313 -7.364 -9.350 1.00 0.30 C ATOM 1330 CG PHE A 83 5.493 -7.023 -10.205 1.00 0.33 C ATOM 1331 CD1 PHE A 83 6.740 -7.531 -9.899 1.00 0.39 C ATOM 1332 CD2 PHE A 83 5.361 -6.189 -11.303 1.00 0.36 C ATOM 1333 CE1 PHE A 83 7.834 -7.220 -10.664 1.00 0.43 C ATOM 1334 CE2 PHE A 83 6.460 -5.869 -12.079 1.00 0.40 C ATOM 1335 CZ PHE A 83 7.702 -6.386 -11.757 1.00 0.42 C ATOM 0 H PHE A 83 5.585 -8.044 -7.126 1.00 0.30 H new ATOM 0 HA PHE A 83 4.409 -5.561 -8.181 1.00 0.29 H new ATOM 0 HB2 PHE A 83 4.300 -8.439 -9.171 1.00 0.30 H new ATOM 0 HB3 PHE A 83 3.398 -7.120 -9.890 1.00 0.30 H new ATOM 0 HD1 PHE A 83 6.855 -8.182 -9.045 1.00 0.39 H new ATOM 0 HD2 PHE A 83 4.392 -5.785 -11.555 1.00 0.36 H new ATOM 0 HE1 PHE A 83 8.802 -7.628 -10.411 1.00 0.43 H new ATOM 0 HE2 PHE A 83 6.349 -5.218 -12.933 1.00 0.40 H new ATOM 0 HZ PHE A 83 8.565 -6.139 -12.358 1.00 0.42 H new ATOM 1345 N VAL A 84 2.360 -5.747 -6.931 1.00 0.27 N ATOM 1346 CA VAL A 84 1.059 -5.743 -6.257 1.00 0.27 C ATOM 1347 C VAL A 84 -0.042 -6.101 -7.254 1.00 0.28 C ATOM 1348 O VAL A 84 -0.549 -5.239 -7.973 1.00 0.30 O ATOM 1349 CB VAL A 84 0.747 -4.338 -5.622 1.00 0.28 C ATOM 1350 CG1 VAL A 84 -0.702 -4.235 -5.061 1.00 0.29 C ATOM 1351 CG2 VAL A 84 1.774 -3.989 -4.525 1.00 0.28 C ATOM 0 H VAL A 84 2.737 -4.815 -7.102 1.00 0.27 H new ATOM 0 HA VAL A 84 1.094 -6.483 -5.457 1.00 0.27 H new ATOM 0 HB VAL A 84 0.827 -3.611 -6.430 1.00 0.28 H new ATOM 0 HG11 VAL A 84 -0.858 -3.243 -4.636 1.00 0.29 H new ATOM 0 HG12 VAL A 84 -1.417 -4.401 -5.867 1.00 0.29 H new ATOM 0 HG13 VAL A 84 -0.847 -4.988 -4.287 1.00 0.29 H new ATOM 0 HG21 VAL A 84 1.537 -3.013 -4.102 1.00 0.28 H new ATOM 0 HG22 VAL A 84 1.738 -4.744 -3.740 1.00 0.28 H new ATOM 0 HG23 VAL A 84 2.774 -3.963 -4.958 1.00 0.28 H new ATOM 1361 N LYS A 85 -0.395 -7.378 -7.315 1.00 0.28 N ATOM 1362 CA LYS A 85 -1.437 -7.823 -8.224 1.00 0.29 C ATOM 1363 C LYS A 85 -2.765 -7.939 -7.478 1.00 0.28 C ATOM 1364 O LYS A 85 -3.033 -8.936 -6.807 1.00 0.28 O ATOM 1365 CB LYS A 85 -1.069 -9.160 -8.889 1.00 0.30 C ATOM 1366 CG LYS A 85 -1.849 -9.448 -10.174 1.00 0.33 C ATOM 1367 CD LYS A 85 -3.243 -9.992 -9.883 1.00 0.34 C ATOM 1368 CE LYS A 85 -4.150 -9.919 -11.106 1.00 0.38 C ATOM 1369 NZ LYS A 85 -5.589 -9.977 -10.730 1.00 0.40 N ATOM 0 H LYS A 85 0.022 -8.117 -6.750 1.00 0.28 H new ATOM 0 HA LYS A 85 -1.538 -7.081 -9.016 1.00 0.29 H new ATOM 0 HB2 LYS A 85 -0.003 -9.161 -9.115 1.00 0.30 H new ATOM 0 HB3 LYS A 85 -1.245 -9.968 -8.179 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -1.932 -8.533 -10.761 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -1.298 -10.167 -10.780 1.00 0.33 H new ATOM 0 HD2 LYS A 85 -3.166 -11.027 -9.550 1.00 0.34 H new ATOM 0 HD3 LYS A 85 -3.690 -9.426 -9.066 1.00 0.34 H new ATOM 0 HE2 LYS A 85 -3.953 -8.995 -11.650 1.00 0.38 H new ATOM 0 HE3 LYS A 85 -3.917 -10.742 -11.781 1.00 0.38 H new ATOM 0 HZ1 LYS A 85 -6.170 -9.658 -11.531 1.00 0.40 H new ATOM 0 HZ2 LYS A 85 -5.845 -10.955 -10.485 1.00 0.40 H new ATOM 0 HZ3 LYS A 85 -5.759 -9.359 -9.911 1.00 0.40 H new ATOM 1383 N LYS A 86 -3.575 -6.896 -7.594 1.00 0.29 N ATOM 1384 CA LYS A 86 -4.890 -6.838 -6.963 1.00 0.29 C ATOM 1385 C LYS A 86 -5.756 -8.026 -7.388 1.00 0.28 C ATOM 1386 O LYS A 86 -6.268 -8.042 -8.510 1.00 0.29 O ATOM 1387 CB LYS A 86 -5.577 -5.538 -7.386 1.00 0.33 C ATOM 1388 CG LYS A 86 -6.108 -4.696 -6.246 1.00 0.53 C ATOM 1389 CD LYS A 86 -5.100 -3.652 -5.786 1.00 0.84 C ATOM 1390 CE LYS A 86 -5.721 -2.674 -4.797 1.00 0.94 C ATOM 1391 NZ LYS A 86 -6.834 -1.890 -5.402 1.00 0.56 N ATOM 0 H LYS A 86 -3.339 -6.061 -8.131 1.00 0.29 H new ATOM 0 HA LYS A 86 -4.765 -6.875 -5.881 1.00 0.29 H new ATOM 0 HB2 LYS A 86 -4.869 -4.940 -7.960 1.00 0.33 H new ATOM 0 HB3 LYS A 86 -6.403 -5.782 -8.054 1.00 0.33 H new ATOM 0 HG2 LYS A 86 -7.026 -4.199 -6.560 1.00 0.53 H new ATOM 0 HG3 LYS A 86 -6.367 -5.343 -5.408 1.00 0.53 H new ATOM 0 HD2 LYS A 86 -4.247 -4.148 -5.322 1.00 0.84 H new ATOM 0 HD3 LYS A 86 -4.720 -3.106 -6.650 1.00 0.84 H new ATOM 0 HE2 LYS A 86 -6.094 -3.223 -3.932 1.00 0.94 H new ATOM 0 HE3 LYS A 86 -4.953 -1.991 -4.434 1.00 0.94 H new ATOM 0 HZ1 LYS A 86 -6.999 -1.031 -4.840 1.00 0.56 H new ATOM 0 HZ2 LYS A 86 -6.582 -1.624 -6.375 1.00 0.56 H new ATOM 0 HZ3 LYS A 86 -7.699 -2.467 -5.414 1.00 0.56 H new ATOM 1405 N GLU A 87 -5.897 -9.042 -6.529 1.00 0.27 N ATOM 1406 CA GLU A 87 -6.723 -10.178 -6.889 1.00 0.28 C ATOM 1407 C GLU A 87 -8.172 -9.863 -6.572 1.00 0.28 C ATOM 1408 O GLU A 87 -8.974 -9.642 -7.482 1.00 0.30 O ATOM 1409 CB GLU A 87 -6.266 -11.455 -6.180 1.00 0.31 C ATOM 1410 CG GLU A 87 -6.589 -12.719 -6.956 1.00 0.35 C ATOM 1411 CD GLU A 87 -5.806 -12.812 -8.248 1.00 0.40 C ATOM 1412 OE1 GLU A 87 -6.138 -12.079 -9.205 1.00 0.86 O ATOM 1413 OE2 GLU A 87 -4.850 -13.611 -8.316 1.00 0.86 O ATOM 0 H GLU A 87 -5.461 -9.094 -5.609 1.00 0.27 H new ATOM 0 HA GLU A 87 -6.622 -10.360 -7.959 1.00 0.28 H new ATOM 0 HB2 GLU A 87 -5.190 -11.404 -6.012 1.00 0.31 H new ATOM 0 HB3 GLU A 87 -6.739 -11.508 -5.200 1.00 0.31 H new ATOM 0 HG2 GLU A 87 -6.370 -13.589 -6.337 1.00 0.35 H new ATOM 0 HG3 GLU A 87 -7.656 -12.745 -7.177 1.00 0.35 H new ATOM 1420 N ARG A 88 -8.515 -9.804 -5.285 1.00 0.29 N ATOM 1421 CA ARG A 88 -9.870 -9.487 -4.892 1.00 0.29 C ATOM 1422 C ARG A 88 -9.973 -9.185 -3.401 1.00 0.30 C ATOM 1423 O ARG A 88 -9.703 -10.038 -2.556 1.00 0.37 O ATOM 1424 CB ARG A 88 -10.836 -10.628 -5.231 1.00 0.33 C ATOM 1425 CG ARG A 88 -12.203 -10.161 -5.738 1.00 0.34 C ATOM 1426 CD ARG A 88 -12.690 -8.912 -4.993 1.00 0.33 C ATOM 1427 NE ARG A 88 -14.108 -8.608 -5.211 1.00 0.37 N ATOM 1428 CZ ARG A 88 -15.119 -9.273 -4.640 1.00 0.50 C ATOM 1429 NH1 ARG A 88 -14.878 -10.239 -3.757 1.00 0.58 N ATOM 1430 NH2 ARG A 88 -16.376 -8.946 -4.921 1.00 0.67 N ATOM 0 H ARG A 88 -7.873 -9.971 -4.510 1.00 0.29 H new ATOM 0 HA ARG A 88 -10.148 -8.597 -5.456 1.00 0.29 H new ATOM 0 HB2 ARG A 88 -10.378 -11.264 -5.988 1.00 0.33 H new ATOM 0 HB3 ARG A 88 -10.981 -11.243 -4.343 1.00 0.33 H new ATOM 0 HG2 ARG A 88 -12.141 -9.947 -6.805 1.00 0.34 H new ATOM 0 HG3 ARG A 88 -12.930 -10.964 -5.616 1.00 0.34 H new ATOM 0 HD2 ARG A 88 -12.517 -9.047 -3.925 1.00 0.33 H new ATOM 0 HD3 ARG A 88 -12.092 -8.057 -5.307 1.00 0.33 H new ATOM 0 HE ARG A 88 -14.339 -7.839 -5.840 1.00 0.37 H new ATOM 0 HH11 ARG A 88 -13.917 -10.477 -3.511 1.00 0.58 H new ATOM 0 HH12 ARG A 88 -15.654 -10.741 -3.326 1.00 0.58 H new ATOM 0 HH21 ARG A 88 -16.572 -8.187 -5.573 1.00 0.67 H new ATOM 0 HH22 ARG A 88 -17.145 -9.454 -4.484 1.00 0.67 H new ATOM 1444 N ILE A 89 -10.339 -7.958 -3.103 1.00 0.27 N ATOM 1445 CA ILE A 89 -10.561 -7.541 -1.733 1.00 0.27 C ATOM 1446 C ILE A 89 -12.006 -7.886 -1.397 1.00 0.28 C ATOM 1447 O ILE A 89 -12.926 -7.462 -2.095 1.00 0.30 O ATOM 1448 CB ILE A 89 -10.289 -6.030 -1.565 1.00 0.28 C ATOM 1449 CG1 ILE A 89 -8.782 -5.765 -1.691 1.00 0.31 C ATOM 1450 CG2 ILE A 89 -10.820 -5.515 -0.228 1.00 0.28 C ATOM 1451 CD1 ILE A 89 -8.412 -4.299 -1.751 1.00 0.42 C ATOM 0 H ILE A 89 -10.491 -7.225 -3.796 1.00 0.27 H new ATOM 0 HA ILE A 89 -9.878 -8.052 -1.054 1.00 0.27 H new ATOM 0 HB ILE A 89 -10.816 -5.491 -2.352 1.00 0.28 H new ATOM 0 HG12 ILE A 89 -8.272 -6.222 -0.843 1.00 0.31 H new ATOM 0 HG13 ILE A 89 -8.412 -6.259 -2.590 1.00 0.31 H new ATOM 0 HG21 ILE A 89 -10.613 -4.448 -0.141 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -11.896 -5.681 -0.176 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -10.331 -6.048 0.587 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -7.330 -4.200 -1.840 1.00 0.42 H new ATOM 0 HD12 ILE A 89 -8.890 -3.838 -2.615 1.00 0.42 H new ATOM 0 HD13 ILE A 89 -8.749 -3.801 -0.842 1.00 0.42 H new ATOM 1463 N GLU A 90 -12.216 -8.658 -0.344 1.00 0.28 N ATOM 1464 CA GLU A 90 -13.559 -9.086 0.003 1.00 0.31 C ATOM 1465 C GLU A 90 -14.303 -7.981 0.728 1.00 0.30 C ATOM 1466 O GLU A 90 -13.684 -7.079 1.288 1.00 0.29 O ATOM 1467 CB GLU A 90 -13.510 -10.348 0.859 1.00 0.35 C ATOM 1468 CG GLU A 90 -12.822 -11.508 0.163 1.00 0.45 C ATOM 1469 CD GLU A 90 -13.549 -11.930 -1.095 1.00 0.59 C ATOM 1470 OE1 GLU A 90 -14.581 -12.627 -0.979 1.00 0.77 O ATOM 1471 OE2 GLU A 90 -13.103 -11.561 -2.201 1.00 0.80 O ATOM 0 H GLU A 90 -11.483 -8.998 0.278 1.00 0.28 H new ATOM 0 HA GLU A 90 -14.096 -9.312 -0.918 1.00 0.31 H new ATOM 0 HB2 GLU A 90 -12.988 -10.129 1.791 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -14.526 -10.641 1.124 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -11.800 -11.225 -0.087 1.00 0.45 H new ATOM 0 HG3 GLU A 90 -12.760 -12.355 0.846 1.00 0.45 H new ATOM 1478 N LYS A 91 -15.620 -8.100 0.786 1.00 0.34 N ATOM 1479 CA LYS A 91 -16.448 -7.084 1.409 1.00 0.36 C ATOM 1480 C LYS A 91 -17.212 -7.701 2.563 1.00 0.39 C ATOM 1481 O LYS A 91 -17.902 -8.706 2.385 1.00 0.43 O ATOM 1482 CB LYS A 91 -17.453 -6.502 0.407 1.00 0.39 C ATOM 1483 CG LYS A 91 -16.863 -5.527 -0.597 1.00 0.36 C ATOM 1484 CD LYS A 91 -17.949 -4.938 -1.494 1.00 0.50 C ATOM 1485 CE LYS A 91 -17.396 -3.883 -2.444 1.00 0.48 C ATOM 1486 NZ LYS A 91 -18.479 -3.077 -3.076 1.00 0.82 N ATOM 0 H LYS A 91 -16.138 -8.893 0.408 1.00 0.34 H new ATOM 0 HA LYS A 91 -15.800 -6.282 1.763 1.00 0.36 H new ATOM 0 HB2 LYS A 91 -17.919 -7.324 -0.137 1.00 0.39 H new ATOM 0 HB3 LYS A 91 -18.245 -5.997 0.960 1.00 0.39 H new ATOM 0 HG2 LYS A 91 -16.348 -4.724 -0.070 1.00 0.36 H new ATOM 0 HG3 LYS A 91 -16.118 -6.036 -1.209 1.00 0.36 H new ATOM 0 HD2 LYS A 91 -18.415 -5.737 -2.071 1.00 0.50 H new ATOM 0 HD3 LYS A 91 -18.729 -4.495 -0.875 1.00 0.50 H new ATOM 0 HE2 LYS A 91 -16.723 -3.221 -1.899 1.00 0.48 H new ATOM 0 HE3 LYS A 91 -16.805 -4.369 -3.221 1.00 0.48 H new ATOM 0 HZ1 LYS A 91 -18.059 -2.371 -3.714 1.00 0.82 H new ATOM 0 HZ2 LYS A 91 -19.107 -3.704 -3.618 1.00 0.82 H new ATOM 0 HZ3 LYS A 91 -19.027 -2.592 -2.337 1.00 0.82 H new ATOM 1500 N LEU A 92 -17.091 -7.119 3.737 1.00 0.41 N ATOM 1501 CA LEU A 92 -17.789 -7.619 4.902 1.00 0.45 C ATOM 1502 C LEU A 92 -18.668 -6.502 5.442 1.00 0.46 C ATOM 1503 O LEU A 92 -18.245 -5.347 5.489 1.00 0.46 O ATOM 1504 CB LEU A 92 -16.787 -8.105 5.951 1.00 0.47 C ATOM 1505 CG LEU A 92 -17.388 -8.766 7.194 1.00 0.53 C ATOM 1506 CD1 LEU A 92 -18.194 -9.996 6.812 1.00 0.63 C ATOM 1507 CD2 LEU A 92 -16.290 -9.133 8.180 1.00 0.56 C ATOM 0 H LEU A 92 -16.514 -6.296 3.910 1.00 0.41 H new ATOM 0 HA LEU A 92 -18.414 -8.472 4.638 1.00 0.45 H new ATOM 0 HB2 LEU A 92 -16.110 -8.816 5.477 1.00 0.47 H new ATOM 0 HB3 LEU A 92 -16.184 -7.255 6.271 1.00 0.47 H new ATOM 0 HG LEU A 92 -18.060 -8.053 7.672 1.00 0.53 H new ATOM 0 HD11 LEU A 92 -18.612 -10.450 7.710 1.00 0.63 H new ATOM 0 HD12 LEU A 92 -19.003 -9.707 6.141 1.00 0.63 H new ATOM 0 HD13 LEU A 92 -17.546 -10.714 6.310 1.00 0.63 H new ATOM 0 HD21 LEU A 92 -16.732 -9.602 9.059 1.00 0.56 H new ATOM 0 HD22 LEU A 92 -15.595 -9.828 7.709 1.00 0.56 H new ATOM 0 HD23 LEU A 92 -15.755 -8.232 8.480 1.00 0.56 H new