USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=18 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 62 LYS NZ :NH3+ -152:sc= 2.2 (180deg=1.12) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 1.08 USER MOD Set 2.1: A 52 THR OG1 : rot 73:sc= 1.35 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -152:sc= 0.941 (180deg=-0.191) USER MOD Set 3.1: A 26 GLN : amide:sc= 0.628 K(o=1.4,f=-9.6!) USER MOD Set 3.2: A 30 LYS NZ :NH3+ -132:sc= 0.767 (180deg=0) USER MOD Set 4.1: A 3 THR OG1 : rot 29:sc= 0.0119 USER MOD Set 4.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -2.17 K(o=-2.2,f=-5.2!) USER MOD Single : A 14 ASN : amide:sc= 0.29 X(o=0.29,f=-0.083) USER MOD Single : A 16 HIS : no HD1:sc= -0.041 K(o=-0.041,f=-1.5) USER MOD Single : A 20 THR OG1 : rot 60:sc= 0.501 USER MOD Single : A 23 GLN : amide:sc= -1.2! C(o=-1.2!,f=-3!) USER MOD Single : A 33 ASN : amide:sc= -0.956 K(o=-0.96,f=-5.6!) USER MOD Single : A 36 SER OG : rot 121:sc= 1.23 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 1.03 (180deg=0.624) USER MOD Single : A 41 ASN : amide:sc=-0.00787 X(o=-0.0079,f=-0.013) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.16) USER MOD Single : A 56 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-1.4) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= 1.31 (180deg=1.21) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 1.02 (180deg=0.957) USER MOD Single : A 70 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.035) USER MOD Single : A 75 MET CE :methyl -148:sc= -0.259 (180deg=-1.02) USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.08) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.03) USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 2.33 (180deg=2.25) USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -0.0806 (180deg=-0.401) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 -5.490 5.352 11.894 1.00 0.54 N ATOM 29 CA THR A 3 -4.447 4.513 11.338 1.00 0.49 C ATOM 30 C THR A 3 -4.874 3.046 11.419 1.00 0.44 C ATOM 31 O THR A 3 -5.077 2.507 12.508 1.00 0.46 O ATOM 32 CB THR A 3 -3.101 4.745 12.064 1.00 0.50 C ATOM 33 OG1 THR A 3 -2.639 6.077 11.775 1.00 0.75 O ATOM 34 CG2 THR A 3 -2.042 3.723 11.623 1.00 0.62 C ATOM 0 HA THR A 3 -4.299 4.779 10.291 1.00 0.49 H new ATOM 0 HB THR A 3 -3.258 4.621 13.136 1.00 0.50 H new ATOM 0 HG1 THR A 3 -3.408 6.663 11.615 1.00 0.75 H new ATOM 0 HG21 THR A 3 -1.109 3.915 12.152 1.00 0.62 H new ATOM 0 HG22 THR A 3 -2.390 2.716 11.854 1.00 0.62 H new ATOM 0 HG23 THR A 3 -1.875 3.812 10.550 1.00 0.62 H new ATOM 42 N ARG A 4 -5.038 2.411 10.263 1.00 0.42 N ATOM 43 CA ARG A 4 -5.463 1.018 10.219 1.00 0.40 C ATOM 44 C ARG A 4 -4.278 0.078 10.018 1.00 0.40 C ATOM 45 O ARG A 4 -3.433 0.268 9.137 1.00 0.43 O ATOM 46 CB ARG A 4 -6.520 0.790 9.127 1.00 0.40 C ATOM 47 CG ARG A 4 -6.053 1.105 7.706 1.00 0.37 C ATOM 48 CD ARG A 4 -7.087 0.674 6.676 1.00 0.39 C ATOM 49 NE ARG A 4 -6.823 1.223 5.339 1.00 0.36 N ATOM 50 CZ ARG A 4 -7.600 1.010 4.273 1.00 0.36 C ATOM 51 NH1 ARG A 4 -8.673 0.232 4.361 1.00 0.38 N ATOM 52 NH2 ARG A 4 -7.300 1.570 3.110 1.00 0.40 N ATOM 0 H ARG A 4 -4.884 2.837 9.349 1.00 0.42 H new ATOM 0 HA ARG A 4 -5.915 0.790 11.184 1.00 0.40 H new ATOM 0 HB2 ARG A 4 -6.843 -0.250 9.166 1.00 0.40 H new ATOM 0 HB3 ARG A 4 -7.392 1.404 9.352 1.00 0.40 H new ATOM 0 HG2 ARG A 4 -5.866 2.175 7.611 1.00 0.37 H new ATOM 0 HG3 ARG A 4 -5.108 0.598 7.510 1.00 0.37 H new ATOM 0 HD2 ARG A 4 -7.105 -0.414 6.620 1.00 0.39 H new ATOM 0 HD3 ARG A 4 -8.076 0.992 7.006 1.00 0.39 H new ATOM 0 HE ARG A 4 -5.994 1.804 5.217 1.00 0.36 H new ATOM 0 HH11 ARG A 4 -8.911 -0.210 5.249 1.00 0.38 H new ATOM 0 HH12 ARG A 4 -9.259 0.077 3.541 1.00 0.38 H new ATOM 0 HH21 ARG A 4 -6.475 2.164 3.028 1.00 0.40 H new ATOM 0 HH22 ARG A 4 -7.894 1.407 2.297 1.00 0.40 H new ATOM 66 N ASN A 5 -4.218 -0.932 10.849 1.00 0.39 N ATOM 67 CA ASN A 5 -3.144 -1.898 10.766 1.00 0.40 C ATOM 68 C ASN A 5 -3.565 -3.051 9.877 1.00 0.37 C ATOM 69 O ASN A 5 -4.725 -3.144 9.476 1.00 0.37 O ATOM 70 CB ASN A 5 -2.769 -2.419 12.154 1.00 0.43 C ATOM 71 CG ASN A 5 -2.564 -1.314 13.171 1.00 0.47 C ATOM 72 OD1 ASN A 5 -1.473 -0.772 13.310 1.00 0.55 O ATOM 73 ND2 ASN A 5 -3.621 -0.980 13.896 1.00 0.53 N ATOM 0 H ASN A 5 -4.896 -1.109 11.590 1.00 0.39 H new ATOM 0 HA ASN A 5 -2.269 -1.408 10.339 1.00 0.40 H new ATOM 0 HB2 ASN A 5 -3.553 -3.089 12.508 1.00 0.43 H new ATOM 0 HB3 ASN A 5 -1.856 -3.009 12.079 1.00 0.43 H new ATOM 0 HD21 ASN A 5 -3.545 -0.247 14.601 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -4.511 -1.456 13.749 1.00 0.53 H new ATOM 80 N PHE A 6 -2.621 -3.912 9.563 1.00 0.36 N ATOM 81 CA PHE A 6 -2.884 -5.069 8.735 1.00 0.34 C ATOM 82 C PHE A 6 -2.141 -6.252 9.324 1.00 0.35 C ATOM 83 O PHE A 6 -0.977 -6.132 9.698 1.00 0.37 O ATOM 84 CB PHE A 6 -2.447 -4.810 7.279 1.00 0.33 C ATOM 85 CG PHE A 6 -3.320 -3.826 6.535 1.00 0.33 C ATOM 86 CD1 PHE A 6 -3.075 -2.446 6.571 1.00 0.34 C ATOM 87 CD2 PHE A 6 -4.395 -4.288 5.793 1.00 0.32 C ATOM 88 CE1 PHE A 6 -3.891 -1.568 5.884 1.00 0.35 C ATOM 89 CE2 PHE A 6 -5.209 -3.409 5.107 1.00 0.33 C ATOM 90 CZ PHE A 6 -4.959 -2.048 5.153 1.00 0.34 C ATOM 0 H PHE A 6 -1.653 -3.830 9.873 1.00 0.36 H new ATOM 0 HA PHE A 6 -3.953 -5.279 8.716 1.00 0.34 H new ATOM 0 HB2 PHE A 6 -1.422 -4.440 7.280 1.00 0.33 H new ATOM 0 HB3 PHE A 6 -2.444 -5.757 6.739 1.00 0.33 H new ATOM 0 HD1 PHE A 6 -2.240 -2.066 7.141 1.00 0.34 H new ATOM 0 HD2 PHE A 6 -4.598 -5.348 5.751 1.00 0.32 H new ATOM 0 HE1 PHE A 6 -3.693 -0.507 5.919 1.00 0.35 H new ATOM 0 HE2 PHE A 6 -6.043 -3.784 4.533 1.00 0.33 H new ATOM 0 HZ PHE A 6 -5.599 -1.363 4.617 1.00 0.34 H new ATOM 100 N VAL A 7 -2.800 -7.390 9.396 1.00 0.34 N ATOM 101 CA VAL A 7 -2.186 -8.569 9.988 1.00 0.36 C ATOM 102 C VAL A 7 -1.925 -9.616 8.919 1.00 0.35 C ATOM 103 O VAL A 7 -2.816 -10.399 8.584 1.00 0.33 O ATOM 104 CB VAL A 7 -3.063 -9.183 11.110 1.00 0.38 C ATOM 105 CG1 VAL A 7 -2.174 -9.637 12.277 1.00 0.42 C ATOM 106 CG2 VAL A 7 -4.109 -8.158 11.617 1.00 0.40 C ATOM 0 H VAL A 7 -3.752 -7.527 9.057 1.00 0.34 H new ATOM 0 HA VAL A 7 -1.244 -8.251 10.435 1.00 0.36 H new ATOM 0 HB VAL A 7 -3.593 -10.043 10.700 1.00 0.38 H new ATOM 0 HG11 VAL A 7 -2.796 -10.067 13.062 1.00 0.42 H new ATOM 0 HG12 VAL A 7 -1.465 -10.386 11.924 1.00 0.42 H new ATOM 0 HG13 VAL A 7 -1.629 -8.780 12.674 1.00 0.42 H new ATOM 0 HG21 VAL A 7 -4.712 -8.612 12.403 1.00 0.40 H new ATOM 0 HG22 VAL A 7 -3.597 -7.281 12.013 1.00 0.40 H new ATOM 0 HG23 VAL A 7 -4.755 -7.859 10.792 1.00 0.40 H new ATOM 116 N LEU A 8 -0.705 -9.610 8.399 1.00 0.37 N ATOM 117 CA LEU A 8 -0.280 -10.516 7.339 1.00 0.37 C ATOM 118 C LEU A 8 -0.384 -11.985 7.746 1.00 0.38 C ATOM 119 O LEU A 8 0.105 -12.395 8.798 1.00 0.41 O ATOM 120 CB LEU A 8 1.164 -10.165 6.952 1.00 0.40 C ATOM 121 CG LEU A 8 1.901 -11.161 6.043 1.00 0.42 C ATOM 122 CD1 LEU A 8 1.578 -10.903 4.576 1.00 0.47 C ATOM 123 CD2 LEU A 8 3.406 -11.069 6.275 1.00 0.66 C ATOM 0 H LEU A 8 0.027 -8.968 8.705 1.00 0.37 H new ATOM 0 HA LEU A 8 -0.947 -10.388 6.487 1.00 0.37 H new ATOM 0 HB2 LEU A 8 1.156 -9.194 6.456 1.00 0.40 H new ATOM 0 HB3 LEU A 8 1.743 -10.050 7.869 1.00 0.40 H new ATOM 0 HG LEU A 8 1.563 -12.166 6.294 1.00 0.42 H new ATOM 0 HD11 LEU A 8 2.112 -11.621 3.954 1.00 0.47 H new ATOM 0 HD12 LEU A 8 0.505 -11.011 4.415 1.00 0.47 H new ATOM 0 HD13 LEU A 8 1.885 -9.892 4.308 1.00 0.47 H new ATOM 0 HD21 LEU A 8 3.918 -11.779 5.626 1.00 0.66 H new ATOM 0 HD22 LEU A 8 3.748 -10.059 6.049 1.00 0.66 H new ATOM 0 HD23 LEU A 8 3.629 -11.303 7.316 1.00 0.66 H new ATOM 135 N ARG A 9 -1.026 -12.776 6.895 1.00 0.37 N ATOM 136 CA ARG A 9 -1.185 -14.200 7.125 1.00 0.39 C ATOM 137 C ARG A 9 -0.423 -14.957 6.036 1.00 0.41 C ATOM 138 O ARG A 9 -0.283 -14.460 4.921 1.00 0.42 O ATOM 139 CB ARG A 9 -2.670 -14.575 7.139 1.00 0.39 C ATOM 140 CG ARG A 9 -2.942 -16.067 7.138 1.00 0.44 C ATOM 141 CD ARG A 9 -4.404 -16.365 7.410 1.00 0.45 C ATOM 142 NE ARG A 9 -4.688 -16.431 8.848 1.00 0.50 N ATOM 143 CZ ARG A 9 -5.678 -17.142 9.387 1.00 0.57 C ATOM 144 NH1 ARG A 9 -6.505 -17.827 8.610 1.00 0.68 N ATOM 145 NH2 ARG A 9 -5.838 -17.165 10.704 1.00 0.64 N ATOM 0 H ARG A 9 -1.449 -12.445 6.028 1.00 0.37 H new ATOM 0 HA ARG A 9 -0.776 -14.473 8.098 1.00 0.39 H new ATOM 0 HB2 ARG A 9 -3.135 -14.134 8.021 1.00 0.39 H new ATOM 0 HB3 ARG A 9 -3.152 -14.130 6.269 1.00 0.39 H new ATOM 0 HG2 ARG A 9 -2.657 -16.489 6.175 1.00 0.44 H new ATOM 0 HG3 ARG A 9 -2.324 -16.551 7.894 1.00 0.44 H new ATOM 0 HD2 ARG A 9 -5.023 -15.594 6.952 1.00 0.45 H new ATOM 0 HD3 ARG A 9 -4.675 -17.311 6.942 1.00 0.45 H new ATOM 0 HE ARG A 9 -4.088 -15.897 9.477 1.00 0.50 H new ATOM 0 HH11 ARG A 9 -6.384 -17.811 7.597 1.00 0.68 H new ATOM 0 HH12 ARG A 9 -7.262 -18.370 9.025 1.00 0.68 H new ATOM 0 HH21 ARG A 9 -5.203 -16.638 11.304 1.00 0.64 H new ATOM 0 HH22 ARG A 9 -6.596 -17.709 11.116 1.00 0.64 H new ATOM 159 N ASP A 10 0.075 -16.140 6.375 1.00 0.43 N ATOM 160 CA ASP A 10 0.841 -16.965 5.445 1.00 0.45 C ATOM 161 C ASP A 10 -0.057 -17.711 4.483 1.00 0.46 C ATOM 162 O ASP A 10 -0.928 -17.118 3.849 1.00 0.43 O ATOM 163 CB ASP A 10 1.736 -17.934 6.228 1.00 0.51 C ATOM 164 CG ASP A 10 2.954 -18.385 5.446 1.00 0.52 C ATOM 165 OD1 ASP A 10 3.983 -17.676 5.474 1.00 0.65 O ATOM 166 OD2 ASP A 10 2.893 -19.463 4.818 1.00 0.60 O ATOM 0 H ASP A 10 -0.040 -16.555 7.300 1.00 0.43 H new ATOM 0 HA ASP A 10 1.469 -16.307 4.844 1.00 0.45 H new ATOM 0 HB2 ASP A 10 2.062 -17.453 7.150 1.00 0.51 H new ATOM 0 HB3 ASP A 10 1.151 -18.808 6.514 1.00 0.51 H new ATOM 171 N GLU A 11 0.129 -19.011 4.398 1.00 0.50 N ATOM 172 CA GLU A 11 -0.634 -19.806 3.473 1.00 0.53 C ATOM 173 C GLU A 11 -1.297 -20.984 4.185 1.00 0.58 C ATOM 174 O GLU A 11 -2.397 -21.403 3.831 1.00 0.61 O ATOM 175 CB GLU A 11 0.293 -20.294 2.360 1.00 0.54 C ATOM 176 CG GLU A 11 -0.216 -20.019 0.956 1.00 0.58 C ATOM 177 CD GLU A 11 -1.346 -20.944 0.551 1.00 0.67 C ATOM 178 OE1 GLU A 11 -1.072 -22.094 0.149 1.00 0.93 O ATOM 179 OE2 GLU A 11 -2.518 -20.519 0.617 1.00 0.66 O ATOM 0 H GLU A 11 0.801 -19.534 4.959 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.429 -19.198 3.042 1.00 0.53 H new ATOM 0 HB2 GLU A 11 1.267 -19.819 2.480 1.00 0.54 H new ATOM 0 HB3 GLU A 11 0.445 -21.367 2.475 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -0.558 -18.986 0.894 1.00 0.58 H new ATOM 0 HG3 GLU A 11 0.606 -20.126 0.249 1.00 0.58 H new ATOM 186 N ASP A 12 -0.628 -21.485 5.219 1.00 0.62 N ATOM 187 CA ASP A 12 -1.118 -22.618 6.007 1.00 0.69 C ATOM 188 C ASP A 12 -2.044 -22.161 7.126 1.00 0.66 C ATOM 189 O ASP A 12 -2.412 -22.944 8.001 1.00 0.69 O ATOM 190 CB ASP A 12 0.066 -23.379 6.605 1.00 0.78 C ATOM 191 CG ASP A 12 1.148 -22.451 7.116 1.00 0.77 C ATOM 192 OD1 ASP A 12 0.810 -21.394 7.688 1.00 0.72 O ATOM 193 OD2 ASP A 12 2.342 -22.768 6.934 1.00 0.98 O ATOM 0 H ASP A 12 0.270 -21.119 5.537 1.00 0.62 H new ATOM 0 HA ASP A 12 -1.684 -23.270 5.342 1.00 0.69 H new ATOM 0 HB2 ASP A 12 -0.285 -24.008 7.423 1.00 0.78 H new ATOM 0 HB3 ASP A 12 0.487 -24.043 5.850 1.00 0.78 H new ATOM 198 N GLY A 13 -2.417 -20.890 7.091 1.00 0.61 N ATOM 199 CA GLY A 13 -3.303 -20.347 8.103 1.00 0.60 C ATOM 200 C GLY A 13 -2.557 -19.642 9.225 1.00 0.58 C ATOM 201 O GLY A 13 -3.175 -19.027 10.093 1.00 0.62 O ATOM 0 H GLY A 13 -2.122 -20.223 6.378 1.00 0.61 H new ATOM 0 HA2 GLY A 13 -3.994 -19.645 7.635 1.00 0.60 H new ATOM 0 HA3 GLY A 13 -3.904 -21.153 8.523 1.00 0.60 H new ATOM 205 N ASN A 14 -1.237 -19.723 9.201 1.00 0.59 N ATOM 206 CA ASN A 14 -0.420 -19.089 10.228 1.00 0.60 C ATOM 207 C ASN A 14 -0.294 -17.605 9.946 1.00 0.55 C ATOM 208 O ASN A 14 0.006 -17.201 8.825 1.00 0.55 O ATOM 209 CB ASN A 14 0.974 -19.712 10.289 1.00 0.65 C ATOM 210 CG ASN A 14 1.001 -21.059 11.008 1.00 0.71 C ATOM 211 OD1 ASN A 14 1.278 -21.119 12.206 1.00 0.86 O ATOM 212 ND2 ASN A 14 0.735 -22.146 10.292 1.00 0.80 N ATOM 0 H ASN A 14 -0.707 -20.220 8.485 1.00 0.59 H new ATOM 0 HA ASN A 14 -0.911 -19.243 11.189 1.00 0.60 H new ATOM 0 HB2 ASN A 14 1.352 -19.841 9.275 1.00 0.65 H new ATOM 0 HB3 ASN A 14 1.651 -19.024 10.796 1.00 0.65 H new ATOM 0 HD21 ASN A 14 0.757 -23.065 10.733 1.00 0.80 H new ATOM 0 HD22 ASN A 14 0.509 -22.061 9.301 1.00 0.80 H new ATOM 219 N GLU A 15 -0.531 -16.783 10.951 1.00 0.54 N ATOM 220 CA GLU A 15 -0.419 -15.349 10.768 1.00 0.52 C ATOM 221 C GLU A 15 0.948 -14.871 11.260 1.00 0.52 C ATOM 222 O GLU A 15 1.420 -15.275 12.324 1.00 0.56 O ATOM 223 CB GLU A 15 -1.581 -14.611 11.447 1.00 0.53 C ATOM 224 CG GLU A 15 -1.918 -15.121 12.836 1.00 0.55 C ATOM 225 CD GLU A 15 -3.413 -15.210 13.049 1.00 0.76 C ATOM 226 OE1 GLU A 15 -4.068 -16.043 12.387 1.00 1.08 O ATOM 227 OE2 GLU A 15 -3.953 -14.417 13.850 1.00 1.49 O ATOM 0 H GLU A 15 -0.799 -17.078 11.890 1.00 0.54 H new ATOM 0 HA GLU A 15 -0.490 -15.116 9.706 1.00 0.52 H new ATOM 0 HB2 GLU A 15 -1.335 -13.551 11.512 1.00 0.53 H new ATOM 0 HB3 GLU A 15 -2.467 -14.695 10.817 1.00 0.53 H new ATOM 0 HG2 GLU A 15 -1.470 -16.104 12.982 1.00 0.55 H new ATOM 0 HG3 GLU A 15 -1.482 -14.458 13.583 1.00 0.55 H new ATOM 234 N HIS A 16 1.593 -14.031 10.464 1.00 0.51 N ATOM 235 CA HIS A 16 2.919 -13.535 10.796 1.00 0.54 C ATOM 236 C HIS A 16 2.851 -12.236 11.605 1.00 0.52 C ATOM 237 O HIS A 16 2.153 -12.164 12.615 1.00 0.57 O ATOM 238 CB HIS A 16 3.757 -13.340 9.523 1.00 0.58 C ATOM 239 CG HIS A 16 4.313 -14.613 8.951 1.00 0.66 C ATOM 240 ND1 HIS A 16 5.654 -14.930 8.982 1.00 0.88 N ATOM 241 CD2 HIS A 16 3.705 -15.637 8.305 1.00 0.73 C ATOM 242 CE1 HIS A 16 5.847 -16.091 8.378 1.00 0.95 C ATOM 243 NE2 HIS A 16 4.680 -16.544 7.955 1.00 0.82 N ATOM 0 H HIS A 16 1.219 -13.679 9.583 1.00 0.51 H new ATOM 0 HA HIS A 16 3.405 -14.284 11.421 1.00 0.54 H new ATOM 0 HB2 HIS A 16 3.141 -12.854 8.767 1.00 0.58 H new ATOM 0 HB3 HIS A 16 4.582 -12.664 9.745 1.00 0.58 H new ATOM 0 HD2 HIS A 16 2.648 -15.726 8.102 1.00 0.73 H new ATOM 0 HE1 HIS A 16 6.799 -16.586 8.252 1.00 0.95 H new ATOM 0 HE2 HIS A 16 4.527 -17.419 7.453 1.00 0.82 H new ATOM 252 N GLY A 17 3.557 -11.213 11.147 1.00 0.51 N ATOM 253 CA GLY A 17 3.589 -9.959 11.857 1.00 0.54 C ATOM 254 C GLY A 17 2.385 -9.082 11.576 1.00 0.50 C ATOM 255 O GLY A 17 1.435 -9.497 10.907 1.00 0.48 O ATOM 0 H GLY A 17 4.110 -11.233 10.290 1.00 0.51 H new ATOM 0 HA2 GLY A 17 3.644 -10.156 12.928 1.00 0.54 H new ATOM 0 HA3 GLY A 17 4.496 -9.418 11.585 1.00 0.54 H new ATOM 259 N VAL A 18 2.446 -7.855 12.064 1.00 0.51 N ATOM 260 CA VAL A 18 1.363 -6.909 11.888 1.00 0.49 C ATOM 261 C VAL A 18 1.894 -5.541 11.454 1.00 0.49 C ATOM 262 O VAL A 18 2.775 -4.968 12.093 1.00 0.51 O ATOM 263 CB VAL A 18 0.533 -6.776 13.186 1.00 0.51 C ATOM 264 CG1 VAL A 18 1.426 -6.424 14.373 1.00 0.57 C ATOM 265 CG2 VAL A 18 -0.559 -5.727 13.016 1.00 0.51 C ATOM 0 H VAL A 18 3.241 -7.491 12.589 1.00 0.51 H new ATOM 0 HA VAL A 18 0.714 -7.290 11.100 1.00 0.49 H new ATOM 0 HB VAL A 18 0.064 -7.740 13.387 1.00 0.51 H new ATOM 0 HG11 VAL A 18 0.817 -6.336 15.273 1.00 0.57 H new ATOM 0 HG12 VAL A 18 2.170 -7.208 14.513 1.00 0.57 H new ATOM 0 HG13 VAL A 18 1.929 -5.476 14.181 1.00 0.57 H new ATOM 0 HG21 VAL A 18 -1.133 -5.647 13.939 1.00 0.51 H new ATOM 0 HG22 VAL A 18 -0.105 -4.763 12.786 1.00 0.51 H new ATOM 0 HG23 VAL A 18 -1.221 -6.020 12.201 1.00 0.51 H new ATOM 275 N PHE A 19 1.378 -5.051 10.341 1.00 0.47 N ATOM 276 CA PHE A 19 1.769 -3.750 9.818 1.00 0.48 C ATOM 277 C PHE A 19 1.021 -2.657 10.579 1.00 0.47 C ATOM 278 O PHE A 19 0.043 -2.939 11.266 1.00 0.47 O ATOM 279 CB PHE A 19 1.469 -3.647 8.319 1.00 0.47 C ATOM 280 CG PHE A 19 2.203 -4.663 7.480 1.00 0.48 C ATOM 281 CD1 PHE A 19 3.591 -4.680 7.438 1.00 0.51 C ATOM 282 CD2 PHE A 19 1.504 -5.597 6.725 1.00 0.52 C ATOM 283 CE1 PHE A 19 4.262 -5.607 6.664 1.00 0.56 C ATOM 284 CE2 PHE A 19 2.177 -6.522 5.951 1.00 0.56 C ATOM 285 CZ PHE A 19 3.554 -6.525 5.922 1.00 0.56 C ATOM 0 H PHE A 19 0.681 -5.537 9.777 1.00 0.47 H new ATOM 0 HA PHE A 19 2.843 -3.625 9.954 1.00 0.48 H new ATOM 0 HB2 PHE A 19 0.397 -3.768 8.163 1.00 0.47 H new ATOM 0 HB3 PHE A 19 1.731 -2.647 7.973 1.00 0.47 H new ATOM 0 HD1 PHE A 19 4.152 -3.961 8.017 1.00 0.51 H new ATOM 0 HD2 PHE A 19 0.424 -5.600 6.744 1.00 0.52 H new ATOM 0 HE1 PHE A 19 5.342 -5.611 6.641 1.00 0.56 H new ATOM 0 HE2 PHE A 19 1.623 -7.243 5.368 1.00 0.56 H new ATOM 0 HZ PHE A 19 4.079 -7.249 5.316 1.00 0.56 H new ATOM 295 N THR A 20 1.456 -1.417 10.425 1.00 0.47 N ATOM 296 CA THR A 20 0.840 -0.290 11.123 1.00 0.47 C ATOM 297 C THR A 20 0.764 0.927 10.191 1.00 0.47 C ATOM 298 O THR A 20 1.390 1.952 10.453 1.00 0.47 O ATOM 299 CB THR A 20 1.677 0.096 12.390 1.00 0.49 C ATOM 300 OG1 THR A 20 3.011 0.431 11.987 1.00 0.51 O ATOM 301 CG2 THR A 20 1.767 -1.027 13.436 1.00 0.51 C ATOM 0 H THR A 20 2.237 -1.160 9.821 1.00 0.47 H new ATOM 0 HA THR A 20 -0.163 -0.587 11.429 1.00 0.47 H new ATOM 0 HB THR A 20 1.162 0.937 12.854 1.00 0.49 H new ATOM 0 HG1 THR A 20 2.984 1.183 11.359 1.00 0.51 H new ATOM 0 HG21 THR A 20 2.361 -0.687 14.284 1.00 0.51 H new ATOM 0 HG22 THR A 20 0.765 -1.288 13.776 1.00 0.51 H new ATOM 0 HG23 THR A 20 2.239 -1.903 12.990 1.00 0.51 H new ATOM 309 N GLY A 21 0.014 0.825 9.093 1.00 0.48 N ATOM 310 CA GLY A 21 -0.059 1.947 8.170 1.00 0.51 C ATOM 311 C GLY A 21 -1.475 2.348 7.834 1.00 0.46 C ATOM 312 O GLY A 21 -2.283 2.602 8.725 1.00 0.50 O ATOM 0 H GLY A 21 -0.533 0.005 8.830 1.00 0.48 H new ATOM 0 HA2 GLY A 21 0.461 2.801 8.604 1.00 0.51 H new ATOM 0 HA3 GLY A 21 0.466 1.688 7.251 1.00 0.51 H new ATOM 316 N LYS A 22 -1.773 2.432 6.542 1.00 0.40 N ATOM 317 CA LYS A 22 -3.108 2.803 6.107 1.00 0.38 C ATOM 318 C LYS A 22 -3.372 2.471 4.639 1.00 0.36 C ATOM 319 O LYS A 22 -4.374 1.834 4.321 1.00 0.42 O ATOM 320 CB LYS A 22 -3.329 4.303 6.325 1.00 0.45 C ATOM 321 CG LYS A 22 -4.389 4.634 7.361 1.00 0.90 C ATOM 322 CD LYS A 22 -4.824 6.091 7.284 1.00 1.62 C ATOM 323 CE LYS A 22 -3.653 7.052 7.413 1.00 1.99 C ATOM 324 NZ LYS A 22 -3.215 7.227 8.817 1.00 2.07 N ATOM 0 H LYS A 22 -1.113 2.249 5.786 1.00 0.40 H new ATOM 0 HA LYS A 22 -3.804 2.217 6.707 1.00 0.38 H new ATOM 0 HB2 LYS A 22 -2.386 4.757 6.629 1.00 0.45 H new ATOM 0 HB3 LYS A 22 -3.610 4.759 5.376 1.00 0.45 H new ATOM 0 HG2 LYS A 22 -5.255 3.989 7.213 1.00 0.90 H new ATOM 0 HG3 LYS A 22 -4.001 4.423 8.357 1.00 0.90 H new ATOM 0 HD2 LYS A 22 -5.332 6.266 6.336 1.00 1.62 H new ATOM 0 HD3 LYS A 22 -5.546 6.294 8.075 1.00 1.62 H new ATOM 0 HE2 LYS A 22 -2.817 6.683 6.818 1.00 1.99 H new ATOM 0 HE3 LYS A 22 -3.935 8.021 7.000 1.00 1.99 H new ATOM 0 HZ1 LYS A 22 -2.415 7.891 8.851 1.00 2.07 H new ATOM 0 HZ2 LYS A 22 -4.002 7.605 9.382 1.00 2.07 H new ATOM 0 HZ3 LYS A 22 -2.919 6.309 9.205 1.00 2.07 H new ATOM 338 N GLN A 23 -2.499 2.928 3.757 1.00 0.30 N ATOM 339 CA GLN A 23 -2.686 2.707 2.328 1.00 0.31 C ATOM 340 C GLN A 23 -2.399 1.269 1.922 1.00 0.29 C ATOM 341 O GLN A 23 -1.313 0.744 2.174 1.00 0.31 O ATOM 342 CB GLN A 23 -1.849 3.688 1.500 1.00 0.33 C ATOM 343 CG GLN A 23 -2.715 4.693 0.758 1.00 0.62 C ATOM 344 CD GLN A 23 -3.940 5.092 1.566 1.00 0.42 C ATOM 345 OE1 GLN A 23 -4.990 4.449 1.485 1.00 0.57 O ATOM 346 NE2 GLN A 23 -3.818 6.141 2.362 1.00 0.44 N ATOM 0 H GLN A 23 -1.658 3.451 4.000 1.00 0.30 H new ATOM 0 HA GLN A 23 -3.739 2.894 2.117 1.00 0.31 H new ATOM 0 HB2 GLN A 23 -1.159 4.219 2.156 1.00 0.33 H new ATOM 0 HB3 GLN A 23 -1.244 3.133 0.783 1.00 0.33 H new ATOM 0 HG2 GLN A 23 -2.126 5.581 0.530 1.00 0.62 H new ATOM 0 HG3 GLN A 23 -3.031 4.267 -0.194 1.00 0.62 H new ATOM 0 HE21 GLN A 23 -2.935 6.649 2.404 1.00 0.44 H new ATOM 0 HE22 GLN A 23 -4.607 6.442 2.934 1.00 0.44 H new ATOM 355 N PRO A 24 -3.390 0.615 1.280 1.00 0.27 N ATOM 356 CA PRO A 24 -3.267 -0.771 0.819 1.00 0.27 C ATOM 357 C PRO A 24 -2.108 -0.952 -0.146 1.00 0.26 C ATOM 358 O PRO A 24 -1.462 -2.000 -0.165 1.00 0.26 O ATOM 359 CB PRO A 24 -4.588 -1.031 0.087 1.00 0.28 C ATOM 360 CG PRO A 24 -5.539 -0.015 0.606 1.00 0.29 C ATOM 361 CD PRO A 24 -4.711 1.187 0.949 1.00 0.29 C ATOM 0 HA PRO A 24 -3.077 -1.453 1.648 1.00 0.27 H new ATOM 0 HB2 PRO A 24 -4.464 -0.936 -0.992 1.00 0.28 H new ATOM 0 HB3 PRO A 24 -4.950 -2.041 0.279 1.00 0.28 H new ATOM 0 HG2 PRO A 24 -6.294 0.231 -0.141 1.00 0.29 H new ATOM 0 HG3 PRO A 24 -6.068 -0.388 1.483 1.00 0.29 H new ATOM 0 HD2 PRO A 24 -4.648 1.883 0.112 1.00 0.29 H new ATOM 0 HD3 PRO A 24 -5.132 1.737 1.790 1.00 0.29 H new ATOM 369 N ARG A 25 -1.848 0.082 -0.937 1.00 0.27 N ATOM 370 CA ARG A 25 -0.778 0.045 -1.925 1.00 0.28 C ATOM 371 C ARG A 25 0.582 -0.246 -1.293 1.00 0.29 C ATOM 372 O ARG A 25 1.283 -1.155 -1.735 1.00 0.30 O ATOM 373 CB ARG A 25 -0.728 1.348 -2.725 1.00 0.30 C ATOM 374 CG ARG A 25 -1.977 1.587 -3.569 1.00 0.35 C ATOM 375 CD ARG A 25 -1.648 2.238 -4.901 1.00 0.39 C ATOM 376 NE ARG A 25 -1.342 3.665 -4.771 1.00 0.39 N ATOM 377 CZ ARG A 25 -1.782 4.609 -5.612 1.00 0.45 C ATOM 378 NH1 ARG A 25 -2.580 4.290 -6.629 1.00 0.50 N ATOM 379 NH2 ARG A 25 -1.432 5.878 -5.427 1.00 0.56 N ATOM 0 H ARG A 25 -2.366 0.960 -0.913 1.00 0.27 H new ATOM 0 HA ARG A 25 -1.003 -0.776 -2.605 1.00 0.28 H new ATOM 0 HB2 ARG A 25 -0.597 2.184 -2.037 1.00 0.30 H new ATOM 0 HB3 ARG A 25 0.145 1.332 -3.377 1.00 0.30 H new ATOM 0 HG2 ARG A 25 -2.483 0.638 -3.745 1.00 0.35 H new ATOM 0 HG3 ARG A 25 -2.671 2.221 -3.017 1.00 0.35 H new ATOM 0 HD2 ARG A 25 -0.796 1.727 -5.350 1.00 0.39 H new ATOM 0 HD3 ARG A 25 -2.491 2.111 -5.581 1.00 0.39 H new ATOM 0 HE ARG A 25 -0.756 3.958 -3.989 1.00 0.39 H new ATOM 0 HH11 ARG A 25 -2.861 3.320 -6.772 1.00 0.50 H new ATOM 0 HH12 ARG A 25 -2.911 5.016 -7.265 1.00 0.50 H new ATOM 0 HH21 ARG A 25 -0.829 6.132 -4.645 1.00 0.56 H new ATOM 0 HH22 ARG A 25 -1.767 6.598 -6.067 1.00 0.56 H new ATOM 393 N GLN A 26 0.957 0.478 -0.243 1.00 0.31 N ATOM 394 CA GLN A 26 2.256 0.248 0.383 1.00 0.34 C ATOM 395 C GLN A 26 2.167 -0.878 1.414 1.00 0.30 C ATOM 396 O GLN A 26 3.185 -1.362 1.911 1.00 0.31 O ATOM 397 CB GLN A 26 2.785 1.532 1.050 1.00 0.42 C ATOM 398 CG GLN A 26 4.285 1.776 0.862 1.00 0.71 C ATOM 399 CD GLN A 26 4.866 2.711 1.907 1.00 1.09 C ATOM 400 OE1 GLN A 26 5.267 2.275 2.987 1.00 1.21 O ATOM 401 NE2 GLN A 26 4.943 3.993 1.591 1.00 1.45 N ATOM 0 H GLN A 26 0.395 1.213 0.185 1.00 0.31 H new ATOM 0 HA GLN A 26 2.954 -0.046 -0.401 1.00 0.34 H new ATOM 0 HB2 GLN A 26 2.238 2.386 0.649 1.00 0.42 H new ATOM 0 HB3 GLN A 26 2.568 1.487 2.117 1.00 0.42 H new ATOM 0 HG2 GLN A 26 4.811 0.822 0.902 1.00 0.71 H new ATOM 0 HG3 GLN A 26 4.459 2.194 -0.129 1.00 0.71 H new ATOM 0 HE21 GLN A 26 4.600 4.317 0.687 1.00 1.45 H new ATOM 0 HE22 GLN A 26 5.345 4.658 2.252 1.00 1.45 H new ATOM 410 N ALA A 27 0.948 -1.304 1.726 1.00 0.28 N ATOM 411 CA ALA A 27 0.744 -2.390 2.686 1.00 0.27 C ATOM 412 C ALA A 27 0.981 -3.727 1.991 1.00 0.24 C ATOM 413 O ALA A 27 1.653 -4.620 2.519 1.00 0.24 O ATOM 414 CB ALA A 27 -0.671 -2.333 3.280 1.00 0.28 C ATOM 0 H ALA A 27 0.089 -0.919 1.333 1.00 0.28 H new ATOM 0 HA ALA A 27 1.453 -2.280 3.506 1.00 0.27 H new ATOM 0 HB1 ALA A 27 -0.800 -3.149 3.991 1.00 0.28 H new ATOM 0 HB2 ALA A 27 -0.813 -1.381 3.791 1.00 0.28 H new ATOM 0 HB3 ALA A 27 -1.405 -2.428 2.480 1.00 0.28 H new ATOM 420 N ALA A 28 0.468 -3.824 0.777 1.00 0.23 N ATOM 421 CA ALA A 28 0.608 -5.017 -0.036 1.00 0.22 C ATOM 422 C ALA A 28 2.036 -5.126 -0.543 1.00 0.23 C ATOM 423 O ALA A 28 2.523 -6.208 -0.860 1.00 0.24 O ATOM 424 CB ALA A 28 -0.379 -4.949 -1.186 1.00 0.22 C ATOM 0 H ALA A 28 -0.059 -3.075 0.327 1.00 0.23 H new ATOM 0 HA ALA A 28 0.393 -5.906 0.557 1.00 0.22 H new ATOM 0 HB1 ALA A 28 -0.281 -5.842 -1.803 1.00 0.22 H new ATOM 0 HB2 ALA A 28 -1.393 -4.890 -0.792 1.00 0.22 H new ATOM 0 HB3 ALA A 28 -0.173 -4.066 -1.791 1.00 0.22 H new ATOM 430 N LEU A 29 2.696 -3.979 -0.609 1.00 0.25 N ATOM 431 CA LEU A 29 4.076 -3.899 -1.052 1.00 0.27 C ATOM 432 C LEU A 29 4.969 -4.746 -0.152 1.00 0.27 C ATOM 433 O LEU A 29 5.695 -5.624 -0.623 1.00 0.29 O ATOM 434 CB LEU A 29 4.541 -2.444 -1.013 1.00 0.31 C ATOM 435 CG LEU A 29 5.630 -2.074 -2.030 1.00 0.34 C ATOM 436 CD1 LEU A 29 5.068 -2.081 -3.465 1.00 0.44 C ATOM 437 CD2 LEU A 29 6.260 -0.729 -1.649 1.00 0.39 C ATOM 0 H LEU A 29 2.288 -3.079 -0.357 1.00 0.25 H new ATOM 0 HA LEU A 29 4.143 -4.277 -2.072 1.00 0.27 H new ATOM 0 HB2 LEU A 29 3.678 -1.800 -1.180 1.00 0.31 H new ATOM 0 HB3 LEU A 29 4.913 -2.226 -0.012 1.00 0.31 H new ATOM 0 HG LEU A 29 6.419 -2.826 -2.006 1.00 0.34 H new ATOM 0 HD11 LEU A 29 5.859 -1.816 -4.167 1.00 0.44 H new ATOM 0 HD12 LEU A 29 4.690 -3.075 -3.703 1.00 0.44 H new ATOM 0 HD13 LEU A 29 4.257 -1.357 -3.542 1.00 0.44 H new ATOM 0 HD21 LEU A 29 7.032 -0.471 -2.374 1.00 0.39 H new ATOM 0 HD22 LEU A 29 5.492 0.045 -1.646 1.00 0.39 H new ATOM 0 HD23 LEU A 29 6.704 -0.803 -0.656 1.00 0.39 H new ATOM 449 N LYS A 30 4.901 -4.481 1.151 1.00 0.26 N ATOM 450 CA LYS A 30 5.701 -5.202 2.134 1.00 0.27 C ATOM 451 C LYS A 30 5.265 -6.662 2.292 1.00 0.25 C ATOM 452 O LYS A 30 6.002 -7.473 2.859 1.00 0.26 O ATOM 453 CB LYS A 30 5.638 -4.472 3.484 1.00 0.32 C ATOM 454 CG LYS A 30 5.665 -2.951 3.359 1.00 0.50 C ATOM 455 CD LYS A 30 5.613 -2.264 4.721 1.00 0.53 C ATOM 456 CE LYS A 30 4.538 -1.184 4.770 1.00 0.70 C ATOM 457 NZ LYS A 30 5.117 0.185 4.724 1.00 1.30 N ATOM 0 H LYS A 30 4.294 -3.766 1.551 1.00 0.26 H new ATOM 0 HA LYS A 30 6.729 -5.222 1.772 1.00 0.27 H new ATOM 0 HB2 LYS A 30 4.728 -4.769 4.006 1.00 0.32 H new ATOM 0 HB3 LYS A 30 6.478 -4.792 4.100 1.00 0.32 H new ATOM 0 HG2 LYS A 30 6.570 -2.646 2.834 1.00 0.50 H new ATOM 0 HG3 LYS A 30 4.820 -2.622 2.755 1.00 0.50 H new ATOM 0 HD2 LYS A 30 5.418 -3.006 5.495 1.00 0.53 H new ATOM 0 HD3 LYS A 30 6.584 -1.821 4.942 1.00 0.53 H new ATOM 0 HE2 LYS A 30 3.854 -1.316 3.932 1.00 0.70 H new ATOM 0 HE3 LYS A 30 3.951 -1.298 5.681 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 4.690 0.768 5.472 1.00 1.30 H new ATOM 0 HZ2 LYS A 30 6.145 0.132 4.871 1.00 1.30 H new ATOM 0 HZ3 LYS A 30 4.922 0.614 3.797 1.00 1.30 H new ATOM 471 N ALA A 31 4.082 -7.001 1.783 1.00 0.22 N ATOM 472 CA ALA A 31 3.580 -8.369 1.875 1.00 0.21 C ATOM 473 C ALA A 31 4.354 -9.282 0.910 1.00 0.21 C ATOM 474 O ALA A 31 4.637 -10.442 1.217 1.00 0.22 O ATOM 475 CB ALA A 31 2.071 -8.404 1.545 1.00 0.21 C ATOM 0 H ALA A 31 3.457 -6.351 1.306 1.00 0.22 H new ATOM 0 HA ALA A 31 3.726 -8.730 2.893 1.00 0.21 H new ATOM 0 HB1 ALA A 31 1.707 -9.429 1.616 1.00 0.21 H new ATOM 0 HB2 ALA A 31 1.529 -7.776 2.252 1.00 0.21 H new ATOM 0 HB3 ALA A 31 1.911 -8.032 0.533 1.00 0.21 H new ATOM 481 N ALA A 32 4.689 -8.733 -0.261 1.00 0.22 N ATOM 482 CA ALA A 32 5.426 -9.456 -1.306 1.00 0.24 C ATOM 483 C ALA A 32 6.820 -9.918 -0.854 1.00 0.23 C ATOM 484 O ALA A 32 7.538 -10.547 -1.630 1.00 0.24 O ATOM 485 CB ALA A 32 5.555 -8.551 -2.529 1.00 0.28 C ATOM 0 H ALA A 32 4.457 -7.772 -0.513 1.00 0.22 H new ATOM 0 HA ALA A 32 4.862 -10.359 -1.541 1.00 0.24 H new ATOM 0 HB1 ALA A 32 6.101 -9.075 -3.314 1.00 0.28 H new ATOM 0 HB2 ALA A 32 4.562 -8.286 -2.892 1.00 0.28 H new ATOM 0 HB3 ALA A 32 6.095 -7.644 -2.255 1.00 0.28 H new ATOM 491 N ASN A 33 7.219 -9.623 0.382 1.00 0.23 N ATOM 492 CA ASN A 33 8.533 -10.041 0.883 1.00 0.24 C ATOM 493 C ASN A 33 8.560 -11.531 1.226 1.00 0.24 C ATOM 494 O ASN A 33 9.480 -11.996 1.894 1.00 0.26 O ATOM 495 CB ASN A 33 8.905 -9.244 2.134 1.00 0.26 C ATOM 496 CG ASN A 33 9.390 -7.839 1.832 1.00 0.37 C ATOM 497 OD1 ASN A 33 10.106 -7.604 0.857 1.00 0.64 O ATOM 498 ND2 ASN A 33 9.005 -6.891 2.673 1.00 0.65 N ATOM 0 H ASN A 33 6.657 -9.100 1.054 1.00 0.23 H new ATOM 0 HA ASN A 33 9.253 -9.850 0.088 1.00 0.24 H new ATOM 0 HB2 ASN A 33 8.037 -9.187 2.791 1.00 0.26 H new ATOM 0 HB3 ASN A 33 9.683 -9.779 2.679 1.00 0.26 H new ATOM 0 HD21 ASN A 33 9.302 -5.926 2.525 1.00 0.65 H new ATOM 0 HD22 ASN A 33 8.412 -7.126 3.469 1.00 0.65 H new ATOM 505 N ARG A 34 7.542 -12.265 0.780 1.00 0.24 N ATOM 506 CA ARG A 34 7.442 -13.702 1.034 1.00 0.27 C ATOM 507 C ARG A 34 8.714 -14.446 0.611 1.00 0.28 C ATOM 508 O ARG A 34 9.145 -15.375 1.293 1.00 0.35 O ATOM 509 CB ARG A 34 6.215 -14.277 0.320 1.00 0.29 C ATOM 510 CG ARG A 34 4.936 -14.138 1.124 1.00 0.32 C ATOM 511 CD ARG A 34 4.580 -15.432 1.820 1.00 0.34 C ATOM 512 NE ARG A 34 4.146 -16.447 0.869 1.00 0.33 N ATOM 513 CZ ARG A 34 3.782 -17.681 1.208 1.00 0.38 C ATOM 514 NH1 ARG A 34 3.857 -18.073 2.479 1.00 0.43 N ATOM 515 NH2 ARG A 34 3.337 -18.519 0.279 1.00 0.43 N ATOM 0 H ARG A 34 6.768 -11.884 0.236 1.00 0.24 H new ATOM 0 HA ARG A 34 7.328 -13.845 2.109 1.00 0.27 H new ATOM 0 HB2 ARG A 34 6.091 -13.773 -0.638 1.00 0.29 H new ATOM 0 HB3 ARG A 34 6.389 -15.331 0.105 1.00 0.29 H new ATOM 0 HG2 ARG A 34 5.053 -13.346 1.863 1.00 0.32 H new ATOM 0 HG3 ARG A 34 4.120 -13.841 0.465 1.00 0.32 H new ATOM 0 HD2 ARG A 34 5.444 -15.798 2.375 1.00 0.34 H new ATOM 0 HD3 ARG A 34 3.788 -15.250 2.546 1.00 0.34 H new ATOM 0 HE ARG A 34 4.120 -16.196 -0.119 1.00 0.33 H new ATOM 0 HH11 ARG A 34 4.194 -17.427 3.193 1.00 0.43 H new ATOM 0 HH12 ARG A 34 3.578 -19.019 2.738 1.00 0.43 H new ATOM 0 HH21 ARG A 34 3.275 -18.216 -0.693 1.00 0.43 H new ATOM 0 HH22 ARG A 34 3.058 -19.465 0.537 1.00 0.43 H new ATOM 529 N GLY A 35 9.313 -14.035 -0.507 1.00 0.28 N ATOM 530 CA GLY A 35 10.535 -14.669 -0.966 1.00 0.29 C ATOM 531 C GLY A 35 10.298 -16.039 -1.575 1.00 0.29 C ATOM 532 O GLY A 35 11.070 -16.973 -1.346 1.00 0.34 O ATOM 0 H GLY A 35 8.973 -13.277 -1.099 1.00 0.28 H new ATOM 0 HA2 GLY A 35 11.016 -14.027 -1.704 1.00 0.29 H new ATOM 0 HA3 GLY A 35 11.226 -14.764 -0.128 1.00 0.29 H new ATOM 536 N SER A 36 9.224 -16.167 -2.344 1.00 0.28 N ATOM 537 CA SER A 36 8.898 -17.429 -2.990 1.00 0.30 C ATOM 538 C SER A 36 9.590 -17.540 -4.345 1.00 0.29 C ATOM 539 O SER A 36 9.166 -16.935 -5.323 1.00 0.33 O ATOM 540 CB SER A 36 7.381 -17.572 -3.140 1.00 0.34 C ATOM 541 OG SER A 36 6.734 -17.277 -1.906 1.00 0.59 O ATOM 0 H SER A 36 8.565 -15.412 -2.535 1.00 0.28 H new ATOM 0 HA SER A 36 9.261 -18.242 -2.361 1.00 0.30 H new ATOM 0 HB2 SER A 36 7.020 -16.899 -3.918 1.00 0.34 H new ATOM 0 HB3 SER A 36 7.134 -18.586 -3.455 1.00 0.34 H new ATOM 0 HG SER A 36 6.118 -16.525 -2.031 1.00 0.59 H new ATOM 547 N GLY A 37 10.676 -18.300 -4.371 1.00 0.29 N ATOM 548 CA GLY A 37 11.426 -18.492 -5.595 1.00 0.32 C ATOM 549 C GLY A 37 12.229 -17.263 -5.976 1.00 0.33 C ATOM 550 O GLY A 37 13.254 -16.975 -5.360 1.00 0.36 O ATOM 0 H GLY A 37 11.053 -18.790 -3.560 1.00 0.29 H new ATOM 0 HA2 GLY A 37 12.099 -19.341 -5.477 1.00 0.32 H new ATOM 0 HA3 GLY A 37 10.739 -18.740 -6.404 1.00 0.32 H new ATOM 554 N THR A 38 11.734 -16.523 -6.962 1.00 0.35 N ATOM 555 CA THR A 38 12.407 -15.318 -7.452 1.00 0.40 C ATOM 556 C THR A 38 11.433 -14.450 -8.263 1.00 0.38 C ATOM 557 O THR A 38 10.436 -13.988 -7.725 1.00 0.39 O ATOM 558 CB THR A 38 13.650 -15.665 -8.302 1.00 0.49 C ATOM 559 OG1 THR A 38 13.523 -16.987 -8.839 1.00 0.55 O ATOM 560 CG2 THR A 38 14.919 -15.564 -7.471 1.00 0.60 C ATOM 0 H THR A 38 10.861 -16.737 -7.444 1.00 0.35 H new ATOM 0 HA THR A 38 12.745 -14.754 -6.583 1.00 0.40 H new ATOM 0 HB THR A 38 13.716 -14.948 -9.121 1.00 0.49 H new ATOM 0 HG1 THR A 38 14.314 -17.199 -9.378 1.00 0.55 H new ATOM 0 HG21 THR A 38 15.780 -15.813 -8.091 1.00 0.60 H new ATOM 0 HG22 THR A 38 15.026 -14.548 -7.092 1.00 0.60 H new ATOM 0 HG23 THR A 38 14.862 -16.259 -6.633 1.00 0.60 H new ATOM 568 N LYS A 39 11.715 -14.246 -9.551 1.00 0.40 N ATOM 569 CA LYS A 39 10.856 -13.426 -10.405 1.00 0.42 C ATOM 570 C LYS A 39 9.552 -14.161 -10.738 1.00 0.39 C ATOM 571 O LYS A 39 8.508 -13.885 -10.147 1.00 0.39 O ATOM 572 CB LYS A 39 11.611 -13.032 -11.683 1.00 0.49 C ATOM 573 CG LYS A 39 10.786 -12.205 -12.669 1.00 0.70 C ATOM 574 CD LYS A 39 11.065 -12.629 -14.097 1.00 0.84 C ATOM 575 CE LYS A 39 10.199 -11.873 -15.092 1.00 0.82 C ATOM 576 NZ LYS A 39 10.648 -10.465 -15.262 1.00 0.94 N ATOM 0 H LYS A 39 12.530 -14.637 -10.024 1.00 0.40 H new ATOM 0 HA LYS A 39 10.591 -12.517 -9.865 1.00 0.42 H new ATOM 0 HB2 LYS A 39 12.500 -12.466 -11.406 1.00 0.49 H new ATOM 0 HB3 LYS A 39 11.953 -13.938 -12.183 1.00 0.49 H new ATOM 0 HG2 LYS A 39 9.725 -12.324 -12.451 1.00 0.70 H new ATOM 0 HG3 LYS A 39 11.020 -11.147 -12.547 1.00 0.70 H new ATOM 0 HD2 LYS A 39 12.117 -12.458 -14.328 1.00 0.84 H new ATOM 0 HD3 LYS A 39 10.886 -13.699 -14.200 1.00 0.84 H new ATOM 0 HE2 LYS A 39 10.226 -12.381 -16.056 1.00 0.82 H new ATOM 0 HE3 LYS A 39 9.163 -11.885 -14.754 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 9.947 -9.943 -15.826 1.00 0.94 H new ATOM 0 HZ2 LYS A 39 10.745 -10.016 -14.329 1.00 0.94 H new ATOM 0 HZ3 LYS A 39 11.566 -10.450 -15.750 1.00 0.94 H new ATOM 590 N ALA A 40 9.601 -15.073 -11.698 1.00 0.39 N ATOM 591 CA ALA A 40 8.424 -15.839 -12.072 1.00 0.38 C ATOM 592 C ALA A 40 8.061 -16.842 -10.983 1.00 0.36 C ATOM 593 O ALA A 40 8.699 -17.890 -10.843 1.00 0.37 O ATOM 594 CB ALA A 40 8.671 -16.549 -13.391 1.00 0.41 C ATOM 0 H ALA A 40 10.441 -15.299 -12.230 1.00 0.39 H new ATOM 0 HA ALA A 40 7.584 -15.154 -12.190 1.00 0.38 H new ATOM 0 HB1 ALA A 40 7.786 -17.122 -13.667 1.00 0.41 H new ATOM 0 HB2 ALA A 40 8.883 -15.813 -14.166 1.00 0.41 H new ATOM 0 HB3 ALA A 40 9.522 -17.223 -13.288 1.00 0.41 H new ATOM 600 N ASN A 41 7.024 -16.518 -10.225 1.00 0.34 N ATOM 601 CA ASN A 41 6.555 -17.365 -9.136 1.00 0.33 C ATOM 602 C ASN A 41 5.282 -16.770 -8.545 1.00 0.35 C ATOM 603 O ASN A 41 5.303 -15.648 -8.045 1.00 0.48 O ATOM 604 CB ASN A 41 7.611 -17.484 -8.033 1.00 0.34 C ATOM 605 CG ASN A 41 7.354 -18.667 -7.104 1.00 0.38 C ATOM 606 OD1 ASN A 41 6.623 -18.550 -6.124 1.00 0.57 O ATOM 607 ND2 ASN A 41 7.948 -19.821 -7.389 1.00 0.50 N ATOM 0 H ASN A 41 6.484 -15.661 -10.347 1.00 0.34 H new ATOM 0 HA ASN A 41 6.359 -18.359 -9.537 1.00 0.33 H new ATOM 0 HB2 ASN A 41 8.596 -17.590 -8.487 1.00 0.34 H new ATOM 0 HB3 ASN A 41 7.627 -16.564 -7.449 1.00 0.34 H new ATOM 0 HD21 ASN A 41 7.801 -20.632 -6.789 1.00 0.50 H new ATOM 0 HD22 ASN A 41 8.551 -19.895 -8.208 1.00 0.50 H new ATOM 614 N PRO A 42 4.148 -17.483 -8.625 1.00 0.35 N ATOM 615 CA PRO A 42 2.887 -16.992 -8.073 1.00 0.38 C ATOM 616 C PRO A 42 2.810 -17.186 -6.563 1.00 0.31 C ATOM 617 O PRO A 42 3.372 -18.140 -6.020 1.00 0.31 O ATOM 618 CB PRO A 42 1.837 -17.839 -8.792 1.00 0.48 C ATOM 619 CG PRO A 42 2.525 -19.111 -9.156 1.00 0.70 C ATOM 620 CD PRO A 42 4.000 -18.810 -9.262 1.00 0.48 C ATOM 0 HA PRO A 42 2.755 -15.921 -8.223 1.00 0.38 H new ATOM 0 HB2 PRO A 42 0.979 -18.029 -8.148 1.00 0.48 H new ATOM 0 HB3 PRO A 42 1.463 -17.328 -9.679 1.00 0.48 H new ATOM 0 HG2 PRO A 42 2.342 -19.876 -8.401 1.00 0.70 H new ATOM 0 HG3 PRO A 42 2.143 -19.498 -10.101 1.00 0.70 H new ATOM 0 HD2 PRO A 42 4.598 -19.565 -8.752 1.00 0.48 H new ATOM 0 HD3 PRO A 42 4.329 -18.792 -10.301 1.00 0.48 H new ATOM 628 N ASP A 43 2.089 -16.297 -5.890 1.00 0.28 N ATOM 629 CA ASP A 43 1.946 -16.360 -4.442 1.00 0.25 C ATOM 630 C ASP A 43 0.672 -15.666 -4.048 1.00 0.25 C ATOM 631 O ASP A 43 0.240 -14.716 -4.701 1.00 0.28 O ATOM 632 CB ASP A 43 3.125 -15.701 -3.711 1.00 0.24 C ATOM 633 CG ASP A 43 3.471 -16.413 -2.426 1.00 0.30 C ATOM 634 OD1 ASP A 43 2.785 -17.400 -2.078 1.00 0.33 O ATOM 635 OD2 ASP A 43 4.433 -15.994 -1.755 1.00 0.51 O ATOM 0 H ASP A 43 1.592 -15.521 -6.327 1.00 0.28 H new ATOM 0 HA ASP A 43 1.925 -17.411 -4.154 1.00 0.25 H new ATOM 0 HB2 ASP A 43 3.997 -15.693 -4.365 1.00 0.24 H new ATOM 0 HB3 ASP A 43 2.880 -14.661 -3.493 1.00 0.24 H new ATOM 640 N ILE A 44 0.076 -16.141 -2.981 1.00 0.25 N ATOM 641 CA ILE A 44 -1.168 -15.592 -2.500 1.00 0.26 C ATOM 642 C ILE A 44 -1.157 -15.530 -0.981 1.00 0.25 C ATOM 643 O ILE A 44 -1.032 -16.554 -0.308 1.00 0.31 O ATOM 644 CB ILE A 44 -2.353 -16.440 -3.008 1.00 0.32 C ATOM 645 CG1 ILE A 44 -2.743 -16.007 -4.422 1.00 0.46 C ATOM 646 CG2 ILE A 44 -3.562 -16.341 -2.073 1.00 0.37 C ATOM 647 CD1 ILE A 44 -3.842 -16.855 -5.034 1.00 0.57 C ATOM 0 H ILE A 44 0.438 -16.915 -2.424 1.00 0.25 H new ATOM 0 HA ILE A 44 -1.284 -14.578 -2.883 1.00 0.26 H new ATOM 0 HB ILE A 44 -2.032 -17.482 -3.026 1.00 0.32 H new ATOM 0 HG12 ILE A 44 -3.068 -14.967 -4.398 1.00 0.46 H new ATOM 0 HG13 ILE A 44 -1.862 -16.051 -5.063 1.00 0.46 H new ATOM 0 HG21 ILE A 44 -4.376 -16.952 -2.464 1.00 0.37 H new ATOM 0 HG22 ILE A 44 -3.285 -16.698 -1.081 1.00 0.37 H new ATOM 0 HG23 ILE A 44 -3.887 -15.303 -2.007 1.00 0.37 H new ATOM 0 HD11 ILE A 44 -4.067 -16.491 -6.036 1.00 0.57 H new ATOM 0 HD12 ILE A 44 -3.512 -17.892 -5.090 1.00 0.57 H new ATOM 0 HD13 ILE A 44 -4.737 -16.792 -4.416 1.00 0.57 H new ATOM 659 N ILE A 45 -1.269 -14.327 -0.450 1.00 0.23 N ATOM 660 CA ILE A 45 -1.280 -14.125 0.985 1.00 0.23 C ATOM 661 C ILE A 45 -2.438 -13.225 1.354 1.00 0.23 C ATOM 662 O ILE A 45 -3.012 -12.558 0.490 1.00 0.29 O ATOM 663 CB ILE A 45 0.059 -13.558 1.534 1.00 0.24 C ATOM 664 CG1 ILE A 45 0.795 -12.694 0.483 1.00 0.25 C ATOM 665 CG2 ILE A 45 0.934 -14.717 2.009 1.00 0.26 C ATOM 666 CD1 ILE A 45 0.010 -11.478 0.030 1.00 0.29 C ATOM 0 H ILE A 45 -1.354 -13.470 -0.996 1.00 0.23 H new ATOM 0 HA ILE A 45 -1.403 -15.102 1.453 1.00 0.23 H new ATOM 0 HB ILE A 45 -0.159 -12.900 2.375 1.00 0.24 H new ATOM 0 HG12 ILE A 45 1.747 -12.365 0.899 1.00 0.25 H new ATOM 0 HG13 ILE A 45 1.023 -13.312 -0.386 1.00 0.25 H new ATOM 0 HG21 ILE A 45 1.876 -14.327 2.396 1.00 0.26 H new ATOM 0 HG22 ILE A 45 0.417 -15.264 2.797 1.00 0.26 H new ATOM 0 HG23 ILE A 45 1.135 -15.388 1.173 1.00 0.26 H new ATOM 0 HD11 ILE A 45 0.591 -10.923 -0.706 1.00 0.29 H new ATOM 0 HD12 ILE A 45 -0.931 -11.798 -0.417 1.00 0.29 H new ATOM 0 HD13 ILE A 45 -0.195 -10.837 0.888 1.00 0.29 H new ATOM 678 N ARG A 46 -2.784 -13.217 2.623 1.00 0.26 N ATOM 679 CA ARG A 46 -3.912 -12.419 3.069 1.00 0.27 C ATOM 680 C ARG A 46 -3.668 -11.719 4.392 1.00 0.28 C ATOM 681 O ARG A 46 -3.367 -12.347 5.400 1.00 0.34 O ATOM 682 CB ARG A 46 -5.181 -13.275 3.164 1.00 0.29 C ATOM 683 CG ARG A 46 -4.958 -14.680 3.707 1.00 0.31 C ATOM 684 CD ARG A 46 -5.378 -15.741 2.697 1.00 0.35 C ATOM 685 NE ARG A 46 -4.235 -16.280 1.957 1.00 0.36 N ATOM 686 CZ ARG A 46 -4.036 -17.578 1.728 1.00 0.37 C ATOM 687 NH1 ARG A 46 -4.903 -18.478 2.172 1.00 0.63 N ATOM 688 NH2 ARG A 46 -2.969 -17.976 1.050 1.00 0.39 N ATOM 0 H ARG A 46 -2.311 -13.744 3.357 1.00 0.26 H new ATOM 0 HA ARG A 46 -4.045 -11.643 2.315 1.00 0.27 H new ATOM 0 HB2 ARG A 46 -5.902 -12.763 3.802 1.00 0.29 H new ATOM 0 HB3 ARG A 46 -5.628 -13.349 2.173 1.00 0.29 H new ATOM 0 HG2 ARG A 46 -3.906 -14.811 3.958 1.00 0.31 H new ATOM 0 HG3 ARG A 46 -5.525 -14.809 4.629 1.00 0.31 H new ATOM 0 HD2 ARG A 46 -5.889 -16.552 3.215 1.00 0.35 H new ATOM 0 HD3 ARG A 46 -6.093 -15.311 1.996 1.00 0.35 H new ATOM 0 HE ARG A 46 -3.547 -15.620 1.594 1.00 0.36 H new ATOM 0 HH11 ARG A 46 -5.728 -18.178 2.692 1.00 0.63 H new ATOM 0 HH12 ARG A 46 -4.745 -19.470 1.993 1.00 0.63 H new ATOM 0 HH21 ARG A 46 -2.300 -17.289 0.703 1.00 0.39 H new ATOM 0 HH22 ARG A 46 -2.817 -18.969 0.875 1.00 0.39 H new ATOM 702 N LEU A 47 -3.797 -10.409 4.372 1.00 0.25 N ATOM 703 CA LEU A 47 -3.644 -9.611 5.572 1.00 0.27 C ATOM 704 C LEU A 47 -5.018 -9.246 6.064 1.00 0.26 C ATOM 705 O LEU A 47 -5.843 -8.766 5.286 1.00 0.25 O ATOM 706 CB LEU A 47 -2.839 -8.310 5.346 1.00 0.28 C ATOM 707 CG LEU A 47 -2.412 -7.981 3.910 1.00 0.27 C ATOM 708 CD1 LEU A 47 -1.766 -6.602 3.856 1.00 0.31 C ATOM 709 CD2 LEU A 47 -1.453 -9.031 3.354 1.00 0.29 C ATOM 0 H LEU A 47 -4.009 -9.870 3.532 1.00 0.25 H new ATOM 0 HA LEU A 47 -3.087 -10.207 6.295 1.00 0.27 H new ATOM 0 HB2 LEU A 47 -3.435 -7.477 5.719 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -1.940 -8.360 5.961 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.308 -7.984 3.289 1.00 0.27 H new ATOM 0 HD11 LEU A 47 -1.467 -6.380 2.832 1.00 0.31 H new ATOM 0 HD12 LEU A 47 -2.480 -5.852 4.196 1.00 0.31 H new ATOM 0 HD13 LEU A 47 -0.888 -6.586 4.502 1.00 0.31 H new ATOM 0 HD21 LEU A 47 -1.172 -8.764 2.335 1.00 0.29 H new ATOM 0 HD22 LEU A 47 -0.560 -9.074 3.977 1.00 0.29 H new ATOM 0 HD23 LEU A 47 -1.941 -10.005 3.353 1.00 0.29 H new ATOM 721 N ARG A 48 -5.296 -9.487 7.327 1.00 0.29 N ATOM 722 CA ARG A 48 -6.584 -9.135 7.876 1.00 0.29 C ATOM 723 C ARG A 48 -6.544 -7.644 8.115 1.00 0.29 C ATOM 724 O ARG A 48 -5.595 -7.154 8.734 1.00 0.31 O ATOM 725 CB ARG A 48 -6.832 -9.881 9.193 1.00 0.33 C ATOM 726 CG ARG A 48 -7.073 -11.379 9.033 1.00 0.35 C ATOM 727 CD ARG A 48 -5.781 -12.160 8.765 1.00 0.38 C ATOM 728 NE ARG A 48 -4.808 -12.050 9.871 1.00 0.47 N ATOM 729 CZ ARG A 48 -4.939 -12.669 11.046 1.00 0.59 C ATOM 730 NH1 ARG A 48 -5.961 -13.491 11.264 1.00 0.63 N ATOM 731 NH2 ARG A 48 -4.034 -12.481 11.999 1.00 0.73 N ATOM 0 H ARG A 48 -4.652 -9.922 7.987 1.00 0.29 H new ATOM 0 HA ARG A 48 -7.391 -9.409 7.197 1.00 0.29 H new ATOM 0 HB2 ARG A 48 -5.974 -9.731 9.848 1.00 0.33 H new ATOM 0 HB3 ARG A 48 -7.694 -9.438 9.691 1.00 0.33 H new ATOM 0 HG2 ARG A 48 -7.546 -11.765 9.936 1.00 0.35 H new ATOM 0 HG3 ARG A 48 -7.770 -11.545 8.212 1.00 0.35 H new ATOM 0 HD2 ARG A 48 -6.023 -13.210 8.603 1.00 0.38 H new ATOM 0 HD3 ARG A 48 -5.323 -11.793 7.846 1.00 0.38 H new ATOM 0 HE ARG A 48 -3.985 -11.465 9.728 1.00 0.47 H new ATOM 0 HH11 ARG A 48 -6.651 -13.652 10.531 1.00 0.63 H new ATOM 0 HH12 ARG A 48 -6.055 -13.961 12.165 1.00 0.63 H new ATOM 0 HH21 ARG A 48 -3.239 -11.864 11.833 1.00 0.73 H new ATOM 0 HH22 ARG A 48 -4.134 -12.954 12.897 1.00 0.73 H new ATOM 745 N GLU A 49 -7.521 -6.909 7.619 1.00 0.28 N ATOM 746 CA GLU A 49 -7.491 -5.478 7.805 1.00 0.31 C ATOM 747 C GLU A 49 -7.874 -5.154 9.246 1.00 0.35 C ATOM 748 O GLU A 49 -8.959 -5.511 9.699 1.00 0.37 O ATOM 749 CB GLU A 49 -8.431 -4.756 6.844 1.00 0.32 C ATOM 750 CG GLU A 49 -8.245 -3.243 6.860 1.00 0.40 C ATOM 751 CD GLU A 49 -9.394 -2.500 6.217 1.00 0.44 C ATOM 752 OE1 GLU A 49 -10.123 -3.102 5.410 1.00 1.05 O ATOM 753 OE2 GLU A 49 -9.576 -1.301 6.516 1.00 0.89 O ATOM 0 H GLU A 49 -8.322 -7.269 7.099 1.00 0.28 H new ATOM 0 HA GLU A 49 -6.480 -5.130 7.593 1.00 0.31 H new ATOM 0 HB2 GLU A 49 -8.264 -5.127 5.833 1.00 0.32 H new ATOM 0 HB3 GLU A 49 -9.462 -4.993 7.105 1.00 0.32 H new ATOM 0 HG2 GLU A 49 -8.134 -2.907 7.891 1.00 0.40 H new ATOM 0 HG3 GLU A 49 -7.320 -2.991 6.341 1.00 0.40 H new ATOM 760 N ARG A 50 -7.000 -4.469 9.953 1.00 0.37 N ATOM 761 CA ARG A 50 -7.262 -4.128 11.337 1.00 0.42 C ATOM 762 C ARG A 50 -7.780 -2.705 11.416 1.00 0.46 C ATOM 763 O ARG A 50 -7.096 -1.807 11.919 1.00 0.51 O ATOM 764 CB ARG A 50 -6.001 -4.286 12.193 1.00 0.47 C ATOM 765 CG ARG A 50 -6.276 -4.261 13.684 1.00 0.47 C ATOM 766 CD ARG A 50 -4.991 -4.188 14.494 1.00 0.53 C ATOM 767 NE ARG A 50 -5.238 -4.391 15.923 1.00 0.95 N ATOM 768 CZ ARG A 50 -4.573 -3.775 16.907 1.00 1.24 C ATOM 769 NH1 ARG A 50 -3.570 -2.936 16.635 1.00 1.52 N ATOM 770 NH2 ARG A 50 -4.916 -3.994 18.170 1.00 1.71 N ATOM 0 H ARG A 50 -6.104 -4.138 9.594 1.00 0.37 H new ATOM 0 HA ARG A 50 -8.016 -4.811 11.729 1.00 0.42 H new ATOM 0 HB2 ARG A 50 -5.513 -5.227 11.937 1.00 0.47 H new ATOM 0 HB3 ARG A 50 -5.302 -3.487 11.947 1.00 0.47 H new ATOM 0 HG2 ARG A 50 -6.906 -3.404 13.923 1.00 0.47 H new ATOM 0 HG3 ARG A 50 -6.833 -5.154 13.966 1.00 0.47 H new ATOM 0 HD2 ARG A 50 -4.291 -4.943 14.135 1.00 0.53 H new ATOM 0 HD3 ARG A 50 -4.519 -3.217 14.341 1.00 0.53 H new ATOM 0 HE ARG A 50 -5.970 -5.050 16.187 1.00 0.95 H new ATOM 0 HH11 ARG A 50 -3.302 -2.758 15.667 1.00 1.52 H new ATOM 0 HH12 ARG A 50 -3.072 -2.473 17.395 1.00 1.52 H new ATOM 0 HH21 ARG A 50 -5.684 -4.630 18.387 1.00 1.71 H new ATOM 0 HH22 ARG A 50 -4.412 -3.527 18.924 1.00 1.71 H new ATOM 784 N GLY A 51 -8.977 -2.508 10.890 1.00 0.52 N ATOM 785 CA GLY A 51 -9.587 -1.198 10.896 1.00 0.60 C ATOM 786 C GLY A 51 -11.025 -1.250 10.437 1.00 0.56 C ATOM 787 O GLY A 51 -11.908 -0.660 11.057 1.00 0.65 O ATOM 0 H GLY A 51 -9.541 -3.239 10.456 1.00 0.52 H new ATOM 0 HA2 GLY A 51 -9.541 -0.779 11.901 1.00 0.60 H new ATOM 0 HA3 GLY A 51 -9.021 -0.530 10.246 1.00 0.60 H new ATOM 791 N THR A 52 -11.263 -1.968 9.349 1.00 0.49 N ATOM 792 CA THR A 52 -12.609 -2.108 8.811 1.00 0.47 C ATOM 793 C THR A 52 -12.913 -3.583 8.540 1.00 0.45 C ATOM 794 O THR A 52 -11.997 -4.395 8.412 1.00 0.68 O ATOM 795 CB THR A 52 -12.782 -1.301 7.497 1.00 0.52 C ATOM 796 OG1 THR A 52 -11.809 -0.247 7.437 1.00 0.62 O ATOM 797 CG2 THR A 52 -14.196 -0.688 7.371 1.00 0.59 C ATOM 0 H THR A 52 -10.543 -2.462 8.822 1.00 0.49 H new ATOM 0 HA THR A 52 -13.304 -1.714 9.552 1.00 0.47 H new ATOM 0 HB THR A 52 -12.639 -1.998 6.671 1.00 0.52 H new ATOM 0 HG1 THR A 52 -10.925 -0.628 7.254 1.00 0.62 H new ATOM 0 HG21 THR A 52 -14.270 -0.133 6.436 1.00 0.59 H new ATOM 0 HG22 THR A 52 -14.940 -1.485 7.380 1.00 0.59 H new ATOM 0 HG23 THR A 52 -14.376 -0.014 8.208 1.00 0.59 H new ATOM 805 N LYS A 53 -14.199 -3.916 8.496 1.00 0.38 N ATOM 806 CA LYS A 53 -14.656 -5.287 8.226 1.00 0.37 C ATOM 807 C LYS A 53 -14.393 -5.677 6.769 1.00 0.35 C ATOM 808 O LYS A 53 -15.320 -5.803 5.974 1.00 0.45 O ATOM 809 CB LYS A 53 -16.151 -5.394 8.513 1.00 0.44 C ATOM 810 CG LYS A 53 -16.545 -4.922 9.903 1.00 0.54 C ATOM 811 CD LYS A 53 -17.863 -4.156 9.881 1.00 0.55 C ATOM 812 CE LYS A 53 -17.700 -2.754 9.322 1.00 0.62 C ATOM 813 NZ LYS A 53 -18.616 -2.507 8.178 1.00 0.74 N ATOM 0 H LYS A 53 -14.957 -3.250 8.645 1.00 0.38 H new ATOM 0 HA LYS A 53 -14.101 -5.966 8.874 1.00 0.37 H new ATOM 0 HB2 LYS A 53 -16.696 -4.809 7.773 1.00 0.44 H new ATOM 0 HB3 LYS A 53 -16.462 -6.432 8.390 1.00 0.44 H new ATOM 0 HG2 LYS A 53 -16.633 -5.781 10.568 1.00 0.54 H new ATOM 0 HG3 LYS A 53 -15.759 -4.284 10.308 1.00 0.54 H new ATOM 0 HD2 LYS A 53 -18.590 -4.703 9.280 1.00 0.55 H new ATOM 0 HD3 LYS A 53 -18.265 -4.098 10.893 1.00 0.55 H new ATOM 0 HE2 LYS A 53 -17.895 -2.024 10.108 1.00 0.62 H new ATOM 0 HE3 LYS A 53 -16.669 -2.608 9.000 1.00 0.62 H new ATOM 0 HZ1 LYS A 53 -18.406 -1.579 7.759 1.00 0.74 H new ATOM 0 HZ2 LYS A 53 -18.484 -3.249 7.461 1.00 0.74 H new ATOM 0 HZ3 LYS A 53 -19.601 -2.521 8.512 1.00 0.74 H new ATOM 827 N LYS A 54 -13.125 -5.831 6.424 1.00 0.30 N ATOM 828 CA LYS A 54 -12.745 -6.189 5.066 1.00 0.29 C ATOM 829 C LYS A 54 -11.558 -7.144 5.046 1.00 0.27 C ATOM 830 O LYS A 54 -10.566 -6.937 5.746 1.00 0.30 O ATOM 831 CB LYS A 54 -12.397 -4.934 4.254 1.00 0.32 C ATOM 832 CG LYS A 54 -13.412 -3.815 4.393 1.00 0.61 C ATOM 833 CD LYS A 54 -13.223 -2.756 3.332 1.00 0.58 C ATOM 834 CE LYS A 54 -13.076 -1.382 3.958 1.00 0.49 C ATOM 835 NZ LYS A 54 -11.691 -1.154 4.448 1.00 0.82 N ATOM 0 H LYS A 54 -12.341 -5.714 7.065 1.00 0.30 H new ATOM 0 HA LYS A 54 -13.601 -6.692 4.616 1.00 0.29 H new ATOM 0 HB2 LYS A 54 -11.420 -4.567 4.570 1.00 0.32 H new ATOM 0 HB3 LYS A 54 -12.311 -5.205 3.202 1.00 0.32 H new ATOM 0 HG2 LYS A 54 -14.419 -4.226 4.322 1.00 0.61 H new ATOM 0 HG3 LYS A 54 -13.321 -3.362 5.380 1.00 0.61 H new ATOM 0 HD2 LYS A 54 -12.339 -2.985 2.737 1.00 0.58 H new ATOM 0 HD3 LYS A 54 -14.075 -2.761 2.652 1.00 0.58 H new ATOM 0 HE2 LYS A 54 -13.335 -0.617 3.226 1.00 0.49 H new ATOM 0 HE3 LYS A 54 -13.778 -1.281 4.786 1.00 0.49 H new ATOM 0 HZ1 LYS A 54 -11.710 -0.485 5.244 1.00 0.82 H new ATOM 0 HZ2 LYS A 54 -11.282 -2.056 4.764 1.00 0.82 H new ATOM 0 HZ3 LYS A 54 -11.111 -0.761 3.679 1.00 0.82 H new ATOM 849 N VAL A 55 -11.662 -8.188 4.233 1.00 0.25 N ATOM 850 CA VAL A 55 -10.590 -9.159 4.103 1.00 0.25 C ATOM 851 C VAL A 55 -9.687 -8.729 2.961 1.00 0.24 C ATOM 852 O VAL A 55 -10.167 -8.257 1.931 1.00 0.26 O ATOM 853 CB VAL A 55 -11.121 -10.586 3.851 1.00 0.28 C ATOM 854 CG1 VAL A 55 -10.014 -11.616 4.003 1.00 0.31 C ATOM 855 CG2 VAL A 55 -12.272 -10.888 4.795 1.00 0.31 C ATOM 0 H VAL A 55 -12.480 -8.381 3.655 1.00 0.25 H new ATOM 0 HA VAL A 55 -10.036 -9.190 5.041 1.00 0.25 H new ATOM 0 HB VAL A 55 -11.486 -10.642 2.825 1.00 0.28 H new ATOM 0 HG11 VAL A 55 -10.416 -12.612 3.820 1.00 0.31 H new ATOM 0 HG12 VAL A 55 -9.221 -11.407 3.284 1.00 0.31 H new ATOM 0 HG13 VAL A 55 -9.609 -11.568 5.014 1.00 0.31 H new ATOM 0 HG21 VAL A 55 -12.640 -11.897 4.609 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -11.927 -10.812 5.826 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -13.077 -10.172 4.628 1.00 0.31 H new ATOM 865 N HIS A 56 -8.384 -8.872 3.130 1.00 0.23 N ATOM 866 CA HIS A 56 -7.452 -8.441 2.104 1.00 0.24 C ATOM 867 C HIS A 56 -6.622 -9.602 1.570 1.00 0.24 C ATOM 868 O HIS A 56 -5.880 -10.236 2.316 1.00 0.25 O ATOM 869 CB HIS A 56 -6.531 -7.355 2.666 1.00 0.25 C ATOM 870 CG HIS A 56 -7.161 -6.002 2.737 1.00 0.25 C ATOM 871 ND1 HIS A 56 -8.343 -5.751 3.405 1.00 0.28 N ATOM 872 CD2 HIS A 56 -6.776 -4.822 2.200 1.00 0.27 C ATOM 873 CE1 HIS A 56 -8.664 -4.481 3.271 1.00 0.30 C ATOM 874 NE2 HIS A 56 -7.729 -3.888 2.544 1.00 0.30 N ATOM 0 H HIS A 56 -7.951 -9.279 3.959 1.00 0.23 H new ATOM 0 HA HIS A 56 -8.031 -8.039 1.273 1.00 0.24 H new ATOM 0 HB2 HIS A 56 -6.209 -7.648 3.665 1.00 0.25 H new ATOM 0 HB3 HIS A 56 -5.636 -7.296 2.047 1.00 0.25 H new ATOM 0 HD2 HIS A 56 -5.888 -4.645 1.612 1.00 0.27 H new ATOM 0 HE1 HIS A 56 -9.541 -4.004 3.684 1.00 0.30 H new ATOM 0 HE2 HIS A 56 -7.716 -2.902 2.282 1.00 0.30 H new ATOM 883 N VAL A 57 -6.749 -9.869 0.279 1.00 0.23 N ATOM 884 CA VAL A 57 -5.994 -10.926 -0.369 1.00 0.23 C ATOM 885 C VAL A 57 -5.530 -10.437 -1.739 1.00 0.24 C ATOM 886 O VAL A 57 -6.314 -9.881 -2.527 1.00 0.24 O ATOM 887 CB VAL A 57 -6.815 -12.238 -0.497 1.00 0.24 C ATOM 888 CG1 VAL A 57 -8.018 -12.051 -1.414 1.00 0.32 C ATOM 889 CG2 VAL A 57 -5.940 -13.384 -0.985 1.00 0.27 C ATOM 0 H VAL A 57 -7.376 -9.361 -0.345 1.00 0.23 H new ATOM 0 HA VAL A 57 -5.129 -11.162 0.250 1.00 0.23 H new ATOM 0 HB VAL A 57 -7.186 -12.492 0.496 1.00 0.24 H new ATOM 0 HG11 VAL A 57 -8.572 -12.987 -1.483 1.00 0.32 H new ATOM 0 HG12 VAL A 57 -8.667 -11.274 -1.009 1.00 0.32 H new ATOM 0 HG13 VAL A 57 -7.677 -11.758 -2.407 1.00 0.32 H new ATOM 0 HG21 VAL A 57 -6.540 -14.291 -1.066 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -5.525 -13.135 -1.962 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -5.127 -13.548 -0.277 1.00 0.27 H new ATOM 899 N PHE A 58 -4.252 -10.608 -2.022 1.00 0.24 N ATOM 900 CA PHE A 58 -3.695 -10.152 -3.273 1.00 0.25 C ATOM 901 C PHE A 58 -2.453 -10.951 -3.605 1.00 0.25 C ATOM 902 O PHE A 58 -1.696 -11.351 -2.715 1.00 0.26 O ATOM 903 CB PHE A 58 -3.390 -8.632 -3.255 1.00 0.26 C ATOM 904 CG PHE A 58 -3.318 -8.004 -1.864 1.00 0.25 C ATOM 905 CD1 PHE A 58 -2.148 -8.001 -1.095 1.00 0.25 C ATOM 906 CD2 PHE A 58 -4.458 -7.422 -1.322 1.00 0.27 C ATOM 907 CE1 PHE A 58 -2.139 -7.434 0.172 1.00 0.26 C ATOM 908 CE2 PHE A 58 -4.444 -6.855 -0.061 1.00 0.28 C ATOM 909 CZ PHE A 58 -3.287 -6.863 0.688 1.00 0.27 C ATOM 0 H PHE A 58 -3.583 -11.060 -1.399 1.00 0.24 H new ATOM 0 HA PHE A 58 -4.441 -10.313 -4.051 1.00 0.25 H new ATOM 0 HB2 PHE A 58 -2.441 -8.461 -3.764 1.00 0.26 H new ATOM 0 HB3 PHE A 58 -4.158 -8.116 -3.831 1.00 0.26 H new ATOM 0 HD1 PHE A 58 -1.246 -8.443 -1.491 1.00 0.25 H new ATOM 0 HD2 PHE A 58 -5.372 -7.412 -1.897 1.00 0.27 H new ATOM 0 HE1 PHE A 58 -1.231 -7.439 0.757 1.00 0.26 H new ATOM 0 HE2 PHE A 58 -5.341 -6.405 0.338 1.00 0.28 H new ATOM 0 HZ PHE A 58 -3.278 -6.424 1.675 1.00 0.27 H new ATOM 919 N LYS A 59 -2.288 -11.229 -4.883 1.00 0.25 N ATOM 920 CA LYS A 59 -1.142 -11.956 -5.365 1.00 0.26 C ATOM 921 C LYS A 59 -0.012 -10.960 -5.523 1.00 0.25 C ATOM 922 O LYS A 59 -0.255 -9.823 -5.924 1.00 0.26 O ATOM 923 CB LYS A 59 -1.497 -12.619 -6.698 1.00 0.28 C ATOM 924 CG LYS A 59 -0.334 -13.298 -7.398 1.00 0.32 C ATOM 925 CD LYS A 59 -0.715 -13.728 -8.806 1.00 0.40 C ATOM 926 CE LYS A 59 -1.841 -14.751 -8.792 1.00 0.49 C ATOM 927 NZ LYS A 59 -3.119 -14.210 -9.351 1.00 0.61 N ATOM 0 H LYS A 59 -2.947 -10.955 -5.612 1.00 0.25 H new ATOM 0 HA LYS A 59 -0.838 -12.742 -4.674 1.00 0.26 H new ATOM 0 HB2 LYS A 59 -2.280 -13.357 -6.524 1.00 0.28 H new ATOM 0 HB3 LYS A 59 -1.914 -11.864 -7.364 1.00 0.28 H new ATOM 0 HG2 LYS A 59 0.516 -12.617 -7.440 1.00 0.32 H new ATOM 0 HG3 LYS A 59 -0.017 -14.168 -6.822 1.00 0.32 H new ATOM 0 HD2 LYS A 59 -1.022 -12.856 -9.383 1.00 0.40 H new ATOM 0 HD3 LYS A 59 0.156 -14.151 -9.306 1.00 0.40 H new ATOM 0 HE2 LYS A 59 -1.539 -15.626 -9.368 1.00 0.49 H new ATOM 0 HE3 LYS A 59 -2.010 -15.086 -7.768 1.00 0.49 H new ATOM 0 HZ1 LYS A 59 -3.670 -14.985 -9.772 1.00 0.61 H new ATOM 0 HZ2 LYS A 59 -3.671 -13.767 -8.589 1.00 0.61 H new ATOM 0 HZ3 LYS A 59 -2.906 -13.501 -10.081 1.00 0.61 H new ATOM 941 N ALA A 60 1.213 -11.338 -5.223 1.00 0.26 N ATOM 942 CA ALA A 60 2.307 -10.402 -5.334 1.00 0.26 C ATOM 943 C ALA A 60 3.578 -11.164 -5.625 1.00 0.26 C ATOM 944 O ALA A 60 3.756 -12.281 -5.145 1.00 0.29 O ATOM 945 CB ALA A 60 2.457 -9.601 -4.033 1.00 0.26 C ATOM 0 H ALA A 60 1.472 -12.272 -4.905 1.00 0.26 H new ATOM 0 HA ALA A 60 2.106 -9.702 -6.145 1.00 0.26 H new ATOM 0 HB1 ALA A 60 3.285 -8.899 -4.131 1.00 0.26 H new ATOM 0 HB2 ALA A 60 1.537 -9.051 -3.836 1.00 0.26 H new ATOM 0 HB3 ALA A 60 2.655 -10.283 -3.206 1.00 0.26 H new ATOM 951 N TRP A 61 4.439 -10.577 -6.425 1.00 0.24 N ATOM 952 CA TRP A 61 5.693 -11.212 -6.758 1.00 0.25 C ATOM 953 C TRP A 61 6.813 -10.189 -6.768 1.00 0.25 C ATOM 954 O TRP A 61 6.565 -8.983 -6.777 1.00 0.26 O ATOM 955 CB TRP A 61 5.595 -11.951 -8.096 1.00 0.27 C ATOM 956 CG TRP A 61 5.624 -11.067 -9.307 1.00 0.29 C ATOM 957 CD1 TRP A 61 6.728 -10.738 -10.034 1.00 0.33 C ATOM 958 CD2 TRP A 61 4.511 -10.424 -9.948 1.00 0.32 C ATOM 959 NE1 TRP A 61 6.380 -9.930 -11.089 1.00 0.37 N ATOM 960 CE2 TRP A 61 5.019 -9.720 -11.059 1.00 0.36 C ATOM 961 CE3 TRP A 61 3.134 -10.375 -9.690 1.00 0.34 C ATOM 962 CZ2 TRP A 61 4.192 -8.977 -11.911 1.00 0.41 C ATOM 963 CZ3 TRP A 61 2.321 -9.643 -10.536 1.00 0.39 C ATOM 964 CH2 TRP A 61 2.852 -8.955 -11.632 1.00 0.42 C ATOM 0 H TRP A 61 4.294 -9.664 -6.856 1.00 0.24 H new ATOM 0 HA TRP A 61 5.921 -11.955 -5.994 1.00 0.25 H new ATOM 0 HB2 TRP A 61 6.418 -12.662 -8.163 1.00 0.27 H new ATOM 0 HB3 TRP A 61 4.672 -12.530 -8.108 1.00 0.27 H new ATOM 0 HD1 TRP A 61 7.733 -11.066 -9.813 1.00 0.33 H new ATOM 0 HE1 TRP A 61 7.024 -9.548 -11.781 1.00 0.37 H new ATOM 0 HE3 TRP A 61 2.715 -10.900 -8.844 1.00 0.34 H new ATOM 0 HZ2 TRP A 61 4.597 -8.441 -12.757 1.00 0.41 H new ATOM 0 HZ3 TRP A 61 1.258 -9.602 -10.347 1.00 0.39 H new ATOM 0 HH2 TRP A 61 2.189 -8.393 -12.273 1.00 0.42 H new ATOM 975 N LYS A 62 8.042 -10.672 -6.750 1.00 0.27 N ATOM 976 CA LYS A 62 9.208 -9.803 -6.725 1.00 0.29 C ATOM 977 C LYS A 62 10.126 -10.039 -7.912 1.00 0.30 C ATOM 978 O LYS A 62 10.310 -11.169 -8.355 1.00 0.31 O ATOM 979 CB LYS A 62 9.985 -10.055 -5.438 1.00 0.33 C ATOM 980 CG LYS A 62 9.691 -9.055 -4.324 1.00 0.41 C ATOM 981 CD LYS A 62 10.343 -9.486 -3.025 1.00 0.43 C ATOM 982 CE LYS A 62 10.489 -8.326 -2.042 1.00 0.56 C ATOM 983 NZ LYS A 62 11.674 -7.474 -2.333 1.00 0.57 N ATOM 0 H LYS A 62 8.261 -11.668 -6.752 1.00 0.27 H new ATOM 0 HA LYS A 62 8.857 -8.772 -6.776 1.00 0.29 H new ATOM 0 HB2 LYS A 62 9.757 -11.059 -5.080 1.00 0.33 H new ATOM 0 HB3 LYS A 62 11.052 -10.031 -5.660 1.00 0.33 H new ATOM 0 HG2 LYS A 62 10.057 -8.069 -4.609 1.00 0.41 H new ATOM 0 HG3 LYS A 62 8.614 -8.967 -4.183 1.00 0.41 H new ATOM 0 HD2 LYS A 62 9.749 -10.276 -2.567 1.00 0.43 H new ATOM 0 HD3 LYS A 62 11.326 -9.908 -3.236 1.00 0.43 H new ATOM 0 HE2 LYS A 62 9.589 -7.712 -2.074 1.00 0.56 H new ATOM 0 HE3 LYS A 62 10.570 -8.721 -1.029 1.00 0.56 H new ATOM 0 HZ1 LYS A 62 12.010 -7.035 -1.452 1.00 0.57 H new ATOM 0 HZ2 LYS A 62 12.431 -8.060 -2.739 1.00 0.57 H new ATOM 0 HZ3 LYS A 62 11.409 -6.731 -3.011 1.00 0.57 H new ATOM 997 N GLU A 63 10.715 -8.957 -8.409 1.00 0.31 N ATOM 998 CA GLU A 63 11.648 -9.033 -9.517 1.00 0.34 C ATOM 999 C GLU A 63 12.971 -8.398 -9.088 1.00 0.35 C ATOM 1000 O GLU A 63 13.011 -7.229 -8.702 1.00 0.35 O ATOM 1001 CB GLU A 63 11.086 -8.338 -10.762 1.00 0.38 C ATOM 1002 CG GLU A 63 9.694 -8.826 -11.149 1.00 0.46 C ATOM 1003 CD GLU A 63 9.459 -8.828 -12.641 1.00 0.63 C ATOM 1004 OE1 GLU A 63 10.432 -8.662 -13.407 1.00 0.90 O ATOM 1005 OE2 GLU A 63 8.296 -9.021 -13.062 1.00 0.98 O ATOM 0 H GLU A 63 10.559 -8.013 -8.056 1.00 0.31 H new ATOM 0 HA GLU A 63 11.812 -10.078 -9.780 1.00 0.34 H new ATOM 0 HB2 GLU A 63 11.050 -7.263 -10.584 1.00 0.38 H new ATOM 0 HB3 GLU A 63 11.766 -8.501 -11.598 1.00 0.38 H new ATOM 0 HG2 GLU A 63 9.549 -9.835 -10.763 1.00 0.46 H new ATOM 0 HG3 GLU A 63 8.947 -8.192 -10.671 1.00 0.46 H new ATOM 1012 N ILE A 64 14.047 -9.175 -9.125 1.00 0.36 N ATOM 1013 CA ILE A 64 15.357 -8.676 -8.714 1.00 0.39 C ATOM 1014 C ILE A 64 15.945 -7.770 -9.788 1.00 0.38 C ATOM 1015 O ILE A 64 16.486 -8.251 -10.784 1.00 0.39 O ATOM 1016 CB ILE A 64 16.346 -9.824 -8.418 1.00 0.44 C ATOM 1017 CG1 ILE A 64 15.728 -10.826 -7.437 1.00 0.48 C ATOM 1018 CG2 ILE A 64 17.655 -9.267 -7.861 1.00 0.50 C ATOM 1019 CD1 ILE A 64 16.569 -12.067 -7.236 1.00 0.60 C ATOM 0 H ILE A 64 14.041 -10.147 -9.433 1.00 0.36 H new ATOM 0 HA ILE A 64 15.207 -8.109 -7.795 1.00 0.39 H new ATOM 0 HB ILE A 64 16.561 -10.345 -9.351 1.00 0.44 H new ATOM 0 HG12 ILE A 64 15.580 -10.337 -6.474 1.00 0.48 H new ATOM 0 HG13 ILE A 64 14.743 -11.119 -7.801 1.00 0.48 H new ATOM 0 HG21 ILE A 64 18.342 -10.088 -7.657 1.00 0.50 H new ATOM 0 HG22 ILE A 64 18.103 -8.592 -8.590 1.00 0.50 H new ATOM 0 HG23 ILE A 64 17.455 -8.723 -6.938 1.00 0.50 H new ATOM 0 HD11 ILE A 64 16.072 -12.733 -6.530 1.00 0.60 H new ATOM 0 HD12 ILE A 64 16.696 -12.579 -8.190 1.00 0.60 H new ATOM 0 HD13 ILE A 64 17.546 -11.785 -6.843 1.00 0.60 H new ATOM 1031 N VAL A 65 15.832 -6.461 -9.571 1.00 0.38 N ATOM 1032 CA VAL A 65 16.333 -5.461 -10.513 1.00 0.40 C ATOM 1033 C VAL A 65 16.593 -4.137 -9.807 1.00 0.42 C ATOM 1034 O VAL A 65 15.898 -3.809 -8.839 1.00 0.42 O ATOM 1035 CB VAL A 65 15.334 -5.185 -11.666 1.00 0.41 C ATOM 1036 CG1 VAL A 65 15.445 -6.250 -12.774 1.00 0.47 C ATOM 1037 CG2 VAL A 65 13.905 -5.126 -11.135 1.00 0.43 C ATOM 0 H VAL A 65 15.392 -6.064 -8.741 1.00 0.38 H new ATOM 0 HA VAL A 65 17.255 -5.872 -10.924 1.00 0.40 H new ATOM 0 HB VAL A 65 15.590 -4.218 -12.100 1.00 0.41 H new ATOM 0 HG11 VAL A 65 14.731 -6.026 -13.567 1.00 0.47 H new ATOM 0 HG12 VAL A 65 16.455 -6.245 -13.184 1.00 0.47 H new ATOM 0 HG13 VAL A 65 15.228 -7.233 -12.357 1.00 0.47 H new ATOM 0 HG21 VAL A 65 13.218 -4.931 -11.959 1.00 0.43 H new ATOM 0 HG22 VAL A 65 13.651 -6.077 -10.668 1.00 0.43 H new ATOM 0 HG23 VAL A 65 13.823 -4.327 -10.398 1.00 0.43 H new ATOM 1047 N ASP A 66 17.631 -3.432 -10.289 1.00 0.44 N ATOM 1048 CA ASP A 66 18.045 -2.091 -9.827 1.00 0.47 C ATOM 1049 C ASP A 66 19.565 -1.997 -9.792 1.00 0.49 C ATOM 1050 O ASP A 66 20.256 -2.872 -10.313 1.00 0.50 O ATOM 1051 CB ASP A 66 17.500 -1.696 -8.449 1.00 0.49 C ATOM 1052 CG ASP A 66 17.007 -0.266 -8.424 1.00 0.59 C ATOM 1053 OD1 ASP A 66 17.851 0.652 -8.378 1.00 0.91 O ATOM 1054 OD2 ASP A 66 15.776 -0.051 -8.456 1.00 0.89 O ATOM 0 H ASP A 66 18.226 -3.790 -11.036 1.00 0.44 H new ATOM 0 HA ASP A 66 17.616 -1.395 -10.548 1.00 0.47 H new ATOM 0 HB2 ASP A 66 16.684 -2.366 -8.176 1.00 0.49 H new ATOM 0 HB3 ASP A 66 18.281 -1.823 -7.700 1.00 0.49 H new ATOM 1059 N ALA A 67 20.065 -0.931 -9.171 1.00 0.51 N ATOM 1060 CA ALA A 67 21.496 -0.685 -9.062 1.00 0.54 C ATOM 1061 C ALA A 67 21.751 0.550 -8.202 1.00 0.53 C ATOM 1062 O ALA A 67 20.817 1.300 -7.932 1.00 0.52 O ATOM 1063 CB ALA A 67 22.095 -0.487 -10.452 1.00 0.60 C ATOM 0 H ALA A 67 19.487 -0.215 -8.730 1.00 0.51 H new ATOM 0 HA ALA A 67 21.969 -1.546 -8.590 1.00 0.54 H new ATOM 0 HB1 ALA A 67 23.166 -0.303 -10.364 1.00 0.60 H new ATOM 0 HB2 ALA A 67 21.928 -1.382 -11.051 1.00 0.60 H new ATOM 0 HB3 ALA A 67 21.619 0.366 -10.935 1.00 0.60 H new ATOM 1069 N PRO A 68 23.000 0.759 -7.717 1.00 0.56 N ATOM 1070 CA PRO A 68 23.350 1.934 -6.905 1.00 0.56 C ATOM 1071 C PRO A 68 22.945 3.242 -7.589 1.00 0.56 C ATOM 1072 O PRO A 68 23.707 3.814 -8.370 1.00 0.59 O ATOM 1073 CB PRO A 68 24.882 1.850 -6.769 1.00 0.60 C ATOM 1074 CG PRO A 68 25.322 0.790 -7.723 1.00 0.82 C ATOM 1075 CD PRO A 68 24.155 -0.139 -7.879 1.00 0.60 C ATOM 0 HA PRO A 68 22.832 1.933 -5.946 1.00 0.56 H new ATOM 0 HB2 PRO A 68 25.348 2.806 -7.006 1.00 0.60 H new ATOM 0 HB3 PRO A 68 25.170 1.600 -5.748 1.00 0.60 H new ATOM 0 HG2 PRO A 68 25.607 1.223 -8.682 1.00 0.82 H new ATOM 0 HG3 PRO A 68 26.194 0.259 -7.341 1.00 0.82 H new ATOM 0 HD2 PRO A 68 24.154 -0.627 -8.853 1.00 0.60 H new ATOM 0 HD3 PRO A 68 24.163 -0.928 -7.127 1.00 0.60 H new ATOM 1083 N LYS A 69 21.733 3.693 -7.298 1.00 0.55 N ATOM 1084 CA LYS A 69 21.204 4.908 -7.892 1.00 0.58 C ATOM 1085 C LYS A 69 21.277 6.076 -6.915 1.00 0.56 C ATOM 1086 O LYS A 69 22.340 6.382 -6.376 1.00 0.61 O ATOM 1087 CB LYS A 69 19.759 4.697 -8.357 1.00 0.61 C ATOM 1088 CG LYS A 69 19.630 3.786 -9.564 1.00 0.67 C ATOM 1089 CD LYS A 69 18.459 4.193 -10.446 1.00 0.79 C ATOM 1090 CE LYS A 69 17.115 3.881 -9.797 1.00 1.27 C ATOM 1091 NZ LYS A 69 16.741 2.447 -9.938 1.00 1.12 N ATOM 0 H LYS A 69 21.096 3.231 -6.650 1.00 0.55 H new ATOM 0 HA LYS A 69 21.820 5.150 -8.758 1.00 0.58 H new ATOM 0 HB2 LYS A 69 19.180 4.278 -7.534 1.00 0.61 H new ATOM 0 HB3 LYS A 69 19.319 5.665 -8.596 1.00 0.61 H new ATOM 0 HG2 LYS A 69 20.552 3.816 -10.144 1.00 0.67 H new ATOM 0 HG3 LYS A 69 19.496 2.757 -9.232 1.00 0.67 H new ATOM 0 HD2 LYS A 69 18.519 5.261 -10.658 1.00 0.79 H new ATOM 0 HD3 LYS A 69 18.528 3.674 -11.402 1.00 0.79 H new ATOM 0 HE2 LYS A 69 17.155 4.142 -8.739 1.00 1.27 H new ATOM 0 HE3 LYS A 69 16.342 4.502 -10.249 1.00 1.27 H new ATOM 0 HZ1 LYS A 69 15.846 2.271 -9.439 1.00 1.12 H new ATOM 0 HZ2 LYS A 69 16.627 2.215 -10.945 1.00 1.12 H new ATOM 0 HZ3 LYS A 69 17.489 1.851 -9.529 1.00 1.12 H new ATOM 1105 N ASN A 70 20.138 6.708 -6.668 1.00 0.57 N ATOM 1106 CA ASN A 70 20.069 7.839 -5.769 1.00 0.57 C ATOM 1107 C ASN A 70 19.236 7.470 -4.557 1.00 0.51 C ATOM 1108 O ASN A 70 18.649 8.331 -3.905 1.00 0.52 O ATOM 1109 CB ASN A 70 19.459 9.055 -6.473 1.00 0.61 C ATOM 1110 CG ASN A 70 18.087 8.775 -7.056 1.00 0.59 C ATOM 1111 OD1 ASN A 70 17.969 8.351 -8.202 1.00 0.65 O ATOM 1112 ND2 ASN A 70 17.045 9.000 -6.275 1.00 0.57 N ATOM 0 H ASN A 70 19.244 6.449 -7.085 1.00 0.57 H new ATOM 0 HA ASN A 70 21.079 8.099 -5.453 1.00 0.57 H new ATOM 0 HB2 ASN A 70 19.385 9.879 -5.764 1.00 0.61 H new ATOM 0 HB3 ASN A 70 20.127 9.380 -7.271 1.00 0.61 H new ATOM 0 HD21 ASN A 70 16.102 8.821 -6.619 1.00 0.57 H new ATOM 0 HD22 ASN A 70 17.184 9.353 -5.328 1.00 0.57 H new ATOM 1119 N ARG A 71 19.199 6.180 -4.261 1.00 0.47 N ATOM 1120 CA ARG A 71 18.433 5.683 -3.131 1.00 0.42 C ATOM 1121 C ARG A 71 19.164 6.001 -1.826 1.00 0.45 C ATOM 1122 O ARG A 71 20.389 6.158 -1.822 1.00 0.54 O ATOM 1123 CB ARG A 71 18.182 4.177 -3.280 1.00 0.40 C ATOM 1124 CG ARG A 71 16.902 3.851 -4.031 1.00 0.46 C ATOM 1125 CD ARG A 71 17.171 3.431 -5.467 1.00 0.62 C ATOM 1126 NE ARG A 71 17.745 2.085 -5.534 1.00 0.65 N ATOM 1127 CZ ARG A 71 17.069 0.973 -5.238 1.00 0.89 C ATOM 1128 NH1 ARG A 71 15.774 1.036 -4.964 1.00 1.03 N ATOM 1129 NH2 ARG A 71 17.683 -0.200 -5.245 1.00 1.22 N ATOM 0 H ARG A 71 19.691 5.459 -4.788 1.00 0.47 H new ATOM 0 HA ARG A 71 17.463 6.180 -3.106 1.00 0.42 H new ATOM 0 HB2 ARG A 71 19.026 3.725 -3.802 1.00 0.40 H new ATOM 0 HB3 ARG A 71 18.139 3.723 -2.290 1.00 0.40 H new ATOM 0 HG2 ARG A 71 16.372 3.051 -3.513 1.00 0.46 H new ATOM 0 HG3 ARG A 71 16.247 4.722 -4.025 1.00 0.46 H new ATOM 0 HD2 ARG A 71 16.242 3.460 -6.036 1.00 0.62 H new ATOM 0 HD3 ARG A 71 17.853 4.142 -5.934 1.00 0.62 H new ATOM 0 HE ARG A 71 18.719 1.992 -5.824 1.00 0.65 H new ATOM 0 HH11 ARG A 71 15.293 1.935 -4.979 1.00 1.03 H new ATOM 0 HH12 ARG A 71 15.259 0.185 -4.738 1.00 1.03 H new ATOM 0 HH21 ARG A 71 18.675 -0.255 -5.477 1.00 1.22 H new ATOM 0 HH22 ARG A 71 17.164 -1.049 -5.018 1.00 1.22 H new ATOM 1143 N PRO A 72 18.428 6.082 -0.704 1.00 0.41 N ATOM 1144 CA PRO A 72 19.008 6.425 0.601 1.00 0.45 C ATOM 1145 C PRO A 72 20.087 5.440 1.036 1.00 0.46 C ATOM 1146 O PRO A 72 19.928 4.231 0.897 1.00 0.45 O ATOM 1147 CB PRO A 72 17.795 6.415 1.540 1.00 0.44 C ATOM 1148 CG PRO A 72 16.792 5.553 0.863 1.00 0.39 C ATOM 1149 CD PRO A 72 16.981 5.803 -0.603 1.00 0.37 C ATOM 0 HA PRO A 72 19.525 7.384 0.591 1.00 0.45 H new ATOM 0 HB2 PRO A 72 18.058 6.019 2.521 1.00 0.44 H new ATOM 0 HB3 PRO A 72 17.409 7.422 1.696 1.00 0.44 H new ATOM 0 HG2 PRO A 72 16.948 4.502 1.106 1.00 0.39 H new ATOM 0 HG3 PRO A 72 15.780 5.806 1.178 1.00 0.39 H new ATOM 0 HD2 PRO A 72 16.693 4.938 -1.201 1.00 0.37 H new ATOM 0 HD3 PRO A 72 16.382 6.645 -0.950 1.00 0.37 H new ATOM 1157 N ALA A 73 21.192 5.999 1.534 1.00 0.50 N ATOM 1158 CA ALA A 73 22.368 5.238 1.987 1.00 0.55 C ATOM 1159 C ALA A 73 22.034 3.878 2.608 1.00 0.53 C ATOM 1160 O ALA A 73 22.626 2.871 2.239 1.00 0.55 O ATOM 1161 CB ALA A 73 23.195 6.061 2.973 1.00 0.61 C ATOM 0 H ALA A 73 21.301 7.008 1.637 1.00 0.50 H new ATOM 0 HA ALA A 73 22.945 5.034 1.085 1.00 0.55 H new ATOM 0 HB1 ALA A 73 24.059 5.481 3.296 1.00 0.61 H new ATOM 0 HB2 ALA A 73 23.533 6.977 2.489 1.00 0.61 H new ATOM 0 HB3 ALA A 73 22.583 6.313 3.839 1.00 0.61 H new ATOM 1167 N TRP A 74 21.124 3.866 3.573 1.00 0.52 N ATOM 1168 CA TRP A 74 20.733 2.625 4.250 1.00 0.53 C ATOM 1169 C TRP A 74 20.217 1.552 3.281 1.00 0.50 C ATOM 1170 O TRP A 74 20.527 0.375 3.456 1.00 0.52 O ATOM 1171 CB TRP A 74 19.681 2.906 5.330 1.00 0.55 C ATOM 1172 CG TRP A 74 19.674 4.317 5.806 1.00 0.55 C ATOM 1173 CD1 TRP A 74 20.624 4.931 6.561 1.00 0.61 C ATOM 1174 CD2 TRP A 74 18.657 5.290 5.558 1.00 0.52 C ATOM 1175 NE1 TRP A 74 20.255 6.229 6.805 1.00 0.61 N ATOM 1176 CE2 TRP A 74 19.047 6.471 6.205 1.00 0.55 C ATOM 1177 CE3 TRP A 74 17.450 5.277 4.856 1.00 0.47 C ATOM 1178 CZ2 TRP A 74 18.270 7.626 6.173 1.00 0.55 C ATOM 1179 CZ3 TRP A 74 16.690 6.431 4.823 1.00 0.48 C ATOM 1180 CH2 TRP A 74 17.102 7.586 5.480 1.00 0.51 C ATOM 0 H TRP A 74 20.640 4.699 3.908 1.00 0.52 H new ATOM 0 HA TRP A 74 21.636 2.230 4.715 1.00 0.53 H new ATOM 0 HB2 TRP A 74 18.695 2.660 4.937 1.00 0.55 H new ATOM 0 HB3 TRP A 74 19.860 2.246 6.179 1.00 0.55 H new ATOM 0 HD1 TRP A 74 21.532 4.466 6.915 1.00 0.61 H new ATOM 0 HE1 TRP A 74 20.793 6.906 7.346 1.00 0.61 H new ATOM 0 HE3 TRP A 74 17.117 4.383 4.349 1.00 0.47 H new ATOM 0 HZ2 TRP A 74 18.586 8.524 6.682 1.00 0.55 H new ATOM 0 HZ3 TRP A 74 15.758 6.436 4.277 1.00 0.48 H new ATOM 0 HH2 TRP A 74 16.481 8.469 5.438 1.00 0.51 H new ATOM 1191 N MET A 75 19.415 1.930 2.283 1.00 0.47 N ATOM 1192 CA MET A 75 18.893 0.953 1.322 1.00 0.45 C ATOM 1193 C MET A 75 19.224 1.328 -0.131 1.00 0.43 C ATOM 1194 O MET A 75 18.349 1.773 -0.875 1.00 0.43 O ATOM 1195 CB MET A 75 17.376 0.837 1.471 1.00 0.47 C ATOM 1196 CG MET A 75 16.941 0.073 2.708 1.00 0.66 C ATOM 1197 SD MET A 75 15.148 0.041 2.915 1.00 1.13 S ATOM 1198 CE MET A 75 14.757 1.791 2.901 1.00 1.43 C ATOM 0 H MET A 75 19.116 2.891 2.119 1.00 0.47 H new ATOM 0 HA MET A 75 19.374 -0.000 1.542 1.00 0.45 H new ATOM 0 HB2 MET A 75 16.945 1.838 1.503 1.00 0.47 H new ATOM 0 HB3 MET A 75 16.970 0.343 0.588 1.00 0.47 H new ATOM 0 HG2 MET A 75 17.314 -0.950 2.648 1.00 0.66 H new ATOM 0 HG3 MET A 75 17.396 0.527 3.589 1.00 0.66 H new ATOM 0 HE1 MET A 75 13.895 1.976 3.542 1.00 1.43 H new ATOM 0 HE2 MET A 75 15.612 2.358 3.269 1.00 1.43 H new ATOM 0 HE3 MET A 75 14.526 2.104 1.883 1.00 1.43 H new ATOM 1208 N PRO A 76 20.491 1.170 -0.551 1.00 0.46 N ATOM 1209 CA PRO A 76 20.930 1.464 -1.907 1.00 0.49 C ATOM 1210 C PRO A 76 20.997 0.188 -2.751 1.00 0.48 C ATOM 1211 O PRO A 76 20.168 -0.712 -2.584 1.00 0.47 O ATOM 1212 CB PRO A 76 22.327 2.026 -1.650 1.00 0.59 C ATOM 1213 CG PRO A 76 22.836 1.263 -0.465 1.00 0.61 C ATOM 1214 CD PRO A 76 21.627 0.718 0.269 1.00 0.53 C ATOM 0 HA PRO A 76 20.271 2.134 -2.458 1.00 0.49 H new ATOM 0 HB2 PRO A 76 22.974 1.888 -2.516 1.00 0.59 H new ATOM 0 HB3 PRO A 76 22.291 3.096 -1.446 1.00 0.59 H new ATOM 0 HG2 PRO A 76 23.492 0.452 -0.782 1.00 0.61 H new ATOM 0 HG3 PRO A 76 23.422 1.911 0.187 1.00 0.61 H new ATOM 0 HD2 PRO A 76 21.660 -0.369 0.344 1.00 0.53 H new ATOM 0 HD3 PRO A 76 21.567 1.106 1.286 1.00 0.53 H new ATOM 1222 N GLU A 77 21.993 0.112 -3.643 1.00 0.49 N ATOM 1223 CA GLU A 77 22.206 -1.053 -4.501 1.00 0.49 C ATOM 1224 C GLU A 77 20.960 -1.458 -5.295 1.00 0.47 C ATOM 1225 O GLU A 77 20.365 -0.644 -6.007 1.00 0.47 O ATOM 1226 CB GLU A 77 22.717 -2.221 -3.657 1.00 0.51 C ATOM 1227 CG GLU A 77 24.162 -2.066 -3.241 1.00 0.60 C ATOM 1228 CD GLU A 77 25.110 -2.525 -4.320 1.00 0.75 C ATOM 1229 OE1 GLU A 77 25.280 -3.748 -4.482 1.00 1.38 O ATOM 1230 OE2 GLU A 77 25.679 -1.669 -5.026 1.00 1.25 O ATOM 0 H GLU A 77 22.672 0.859 -3.788 1.00 0.49 H new ATOM 0 HA GLU A 77 22.954 -0.776 -5.244 1.00 0.49 H new ATOM 0 HB2 GLU A 77 22.097 -2.316 -2.766 1.00 0.51 H new ATOM 0 HB3 GLU A 77 22.605 -3.146 -4.223 1.00 0.51 H new ATOM 0 HG2 GLU A 77 24.361 -1.021 -3.003 1.00 0.60 H new ATOM 0 HG3 GLU A 77 24.342 -2.640 -2.332 1.00 0.60 H new ATOM 1237 N LYS A 78 20.540 -2.707 -5.139 1.00 0.46 N ATOM 1238 CA LYS A 78 19.400 -3.213 -5.877 1.00 0.45 C ATOM 1239 C LYS A 78 18.537 -4.101 -5.011 1.00 0.42 C ATOM 1240 O LYS A 78 19.024 -4.737 -4.078 1.00 0.44 O ATOM 1241 CB LYS A 78 19.865 -3.962 -7.133 1.00 0.50 C ATOM 1242 CG LYS A 78 20.854 -5.081 -6.871 1.00 0.55 C ATOM 1243 CD LYS A 78 22.286 -4.597 -7.029 1.00 0.66 C ATOM 1244 CE LYS A 78 23.275 -5.637 -6.542 1.00 0.78 C ATOM 1245 NZ LYS A 78 24.681 -5.165 -6.663 1.00 0.90 N ATOM 0 H LYS A 78 20.973 -3.383 -4.509 1.00 0.46 H new ATOM 0 HA LYS A 78 18.793 -2.362 -6.186 1.00 0.45 H new ATOM 0 HB2 LYS A 78 18.992 -4.377 -7.637 1.00 0.50 H new ATOM 0 HB3 LYS A 78 20.319 -3.247 -7.819 1.00 0.50 H new ATOM 0 HG2 LYS A 78 20.708 -5.470 -5.863 1.00 0.55 H new ATOM 0 HG3 LYS A 78 20.667 -5.904 -7.561 1.00 0.55 H new ATOM 0 HD2 LYS A 78 22.482 -4.368 -8.077 1.00 0.66 H new ATOM 0 HD3 LYS A 78 22.423 -3.671 -6.470 1.00 0.66 H new ATOM 0 HE2 LYS A 78 23.062 -5.881 -5.501 1.00 0.78 H new ATOM 0 HE3 LYS A 78 23.149 -6.555 -7.117 1.00 0.78 H new ATOM 0 HZ1 LYS A 78 25.316 -5.984 -6.754 1.00 0.90 H new ATOM 0 HZ2 LYS A 78 24.773 -4.561 -7.504 1.00 0.90 H new ATOM 0 HZ3 LYS A 78 24.938 -4.620 -5.816 1.00 0.90 H new ATOM 1259 N ILE A 79 17.253 -4.151 -5.335 1.00 0.40 N ATOM 1260 CA ILE A 79 16.302 -4.930 -4.555 1.00 0.39 C ATOM 1261 C ILE A 79 15.190 -5.461 -5.434 1.00 0.36 C ATOM 1262 O ILE A 79 14.925 -4.921 -6.505 1.00 0.36 O ATOM 1263 CB ILE A 79 15.660 -4.090 -3.425 1.00 0.40 C ATOM 1264 CG1 ILE A 79 15.400 -2.654 -3.897 1.00 0.46 C ATOM 1265 CG2 ILE A 79 16.537 -4.108 -2.184 1.00 0.49 C ATOM 1266 CD1 ILE A 79 14.691 -1.789 -2.877 1.00 0.59 C ATOM 0 H ILE A 79 16.846 -3.662 -6.132 1.00 0.40 H new ATOM 0 HA ILE A 79 16.865 -5.754 -4.117 1.00 0.39 H new ATOM 0 HB ILE A 79 14.699 -4.536 -3.166 1.00 0.40 H new ATOM 0 HG12 ILE A 79 16.352 -2.189 -4.154 1.00 0.46 H new ATOM 0 HG13 ILE A 79 14.804 -2.685 -4.809 1.00 0.46 H new ATOM 0 HG21 ILE A 79 16.070 -3.512 -1.400 1.00 0.49 H new ATOM 0 HG22 ILE A 79 16.656 -5.135 -1.838 1.00 0.49 H new ATOM 0 HG23 ILE A 79 17.515 -3.690 -2.423 1.00 0.49 H new ATOM 0 HD11 ILE A 79 14.544 -0.790 -3.287 1.00 0.59 H new ATOM 0 HD12 ILE A 79 13.723 -2.229 -2.637 1.00 0.59 H new ATOM 0 HD13 ILE A 79 15.295 -1.725 -1.972 1.00 0.59 H new ATOM 1278 N SER A 80 14.553 -6.527 -4.988 1.00 0.35 N ATOM 1279 CA SER A 80 13.461 -7.115 -5.727 1.00 0.34 C ATOM 1280 C SER A 80 12.224 -6.221 -5.655 1.00 0.33 C ATOM 1281 O SER A 80 11.685 -5.981 -4.572 1.00 0.35 O ATOM 1282 CB SER A 80 13.164 -8.498 -5.160 1.00 0.36 C ATOM 1283 OG SER A 80 13.745 -8.658 -3.865 1.00 0.64 O ATOM 0 H SER A 80 14.777 -7.002 -4.114 1.00 0.35 H new ATOM 0 HA SER A 80 13.741 -7.211 -6.776 1.00 0.34 H new ATOM 0 HB2 SER A 80 12.086 -8.646 -5.099 1.00 0.36 H new ATOM 0 HB3 SER A 80 13.553 -9.262 -5.833 1.00 0.36 H new ATOM 0 HG SER A 80 13.539 -9.553 -3.522 1.00 0.64 H new ATOM 1289 N LYS A 81 11.793 -5.721 -6.807 1.00 0.31 N ATOM 1290 CA LYS A 81 10.622 -4.863 -6.885 1.00 0.31 C ATOM 1291 C LYS A 81 9.361 -5.700 -6.682 1.00 0.30 C ATOM 1292 O LYS A 81 9.185 -6.730 -7.335 1.00 0.30 O ATOM 1293 CB LYS A 81 10.566 -4.147 -8.242 1.00 0.32 C ATOM 1294 CG LYS A 81 10.578 -2.622 -8.148 1.00 0.45 C ATOM 1295 CD LYS A 81 11.963 -2.083 -7.829 1.00 0.60 C ATOM 1296 CE LYS A 81 12.013 -0.570 -7.973 1.00 0.81 C ATOM 1297 NZ LYS A 81 13.319 0.000 -7.533 1.00 0.98 N ATOM 0 H LYS A 81 12.243 -5.898 -7.705 1.00 0.31 H new ATOM 0 HA LYS A 81 10.686 -4.108 -6.101 1.00 0.31 H new ATOM 0 HB2 LYS A 81 11.415 -4.469 -8.845 1.00 0.32 H new ATOM 0 HB3 LYS A 81 9.664 -4.460 -8.768 1.00 0.32 H new ATOM 0 HG2 LYS A 81 10.232 -2.198 -9.091 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.877 -2.301 -7.377 1.00 0.45 H new ATOM 0 HD2 LYS A 81 12.239 -2.363 -6.813 1.00 0.60 H new ATOM 0 HD3 LYS A 81 12.695 -2.538 -8.496 1.00 0.60 H new ATOM 0 HE2 LYS A 81 11.834 -0.301 -9.014 1.00 0.81 H new ATOM 0 HE3 LYS A 81 11.209 -0.125 -7.386 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 13.286 1.037 -7.602 1.00 0.98 H new ATOM 0 HZ2 LYS A 81 13.504 -0.276 -6.547 1.00 0.98 H new ATOM 0 HZ3 LYS A 81 14.079 -0.364 -8.142 1.00 0.98 H new ATOM 1311 N PRO A 82 8.485 -5.296 -5.749 1.00 0.32 N ATOM 1312 CA PRO A 82 7.246 -6.012 -5.474 1.00 0.33 C ATOM 1313 C PRO A 82 6.069 -5.528 -6.319 1.00 0.31 C ATOM 1314 O PRO A 82 5.876 -4.326 -6.521 1.00 0.34 O ATOM 1315 CB PRO A 82 7.010 -5.717 -3.999 1.00 0.38 C ATOM 1316 CG PRO A 82 7.660 -4.394 -3.738 1.00 0.48 C ATOM 1317 CD PRO A 82 8.643 -4.132 -4.861 1.00 0.36 C ATOM 0 HA PRO A 82 7.326 -7.072 -5.714 1.00 0.33 H new ATOM 0 HB2 PRO A 82 5.944 -5.680 -3.773 1.00 0.38 H new ATOM 0 HB3 PRO A 82 7.442 -6.496 -3.371 1.00 0.38 H new ATOM 0 HG2 PRO A 82 6.912 -3.603 -3.693 1.00 0.48 H new ATOM 0 HG3 PRO A 82 8.172 -4.403 -2.776 1.00 0.48 H new ATOM 0 HD2 PRO A 82 8.418 -3.200 -5.380 1.00 0.36 H new ATOM 0 HD3 PRO A 82 9.664 -4.050 -4.487 1.00 0.36 H new ATOM 1325 N PHE A 83 5.297 -6.481 -6.820 1.00 0.30 N ATOM 1326 CA PHE A 83 4.147 -6.166 -7.652 1.00 0.29 C ATOM 1327 C PHE A 83 2.828 -6.476 -6.955 1.00 0.28 C ATOM 1328 O PHE A 83 2.438 -7.631 -6.777 1.00 0.27 O ATOM 1329 CB PHE A 83 4.255 -6.883 -8.993 1.00 0.30 C ATOM 1330 CG PHE A 83 5.423 -6.394 -9.803 1.00 0.33 C ATOM 1331 CD1 PHE A 83 6.716 -6.698 -9.419 1.00 0.39 C ATOM 1332 CD2 PHE A 83 5.231 -5.611 -10.925 1.00 0.36 C ATOM 1333 CE1 PHE A 83 7.795 -6.237 -10.132 1.00 0.43 C ATOM 1334 CE2 PHE A 83 6.312 -5.138 -11.651 1.00 0.40 C ATOM 1335 CZ PHE A 83 7.599 -5.452 -11.251 1.00 0.42 C ATOM 0 H PHE A 83 5.447 -7.478 -6.665 1.00 0.30 H new ATOM 0 HA PHE A 83 4.152 -5.091 -7.833 1.00 0.29 H new ATOM 0 HB2 PHE A 83 4.355 -7.955 -8.823 1.00 0.30 H new ATOM 0 HB3 PHE A 83 3.335 -6.735 -9.558 1.00 0.30 H new ATOM 0 HD1 PHE A 83 6.880 -7.308 -8.543 1.00 0.39 H new ATOM 0 HD2 PHE A 83 4.228 -5.365 -11.239 1.00 0.36 H new ATOM 0 HE1 PHE A 83 8.797 -6.488 -9.818 1.00 0.43 H new ATOM 0 HE2 PHE A 83 6.151 -4.526 -12.526 1.00 0.40 H new ATOM 0 HZ PHE A 83 8.446 -5.085 -11.811 1.00 0.42 H new ATOM 1345 N VAL A 84 2.178 -5.396 -6.560 1.00 0.27 N ATOM 1346 CA VAL A 84 0.890 -5.439 -5.871 1.00 0.27 C ATOM 1347 C VAL A 84 -0.234 -5.754 -6.863 1.00 0.28 C ATOM 1348 O VAL A 84 -0.670 -4.881 -7.617 1.00 0.30 O ATOM 1349 CB VAL A 84 0.597 -4.066 -5.168 1.00 0.28 C ATOM 1350 CG1 VAL A 84 -0.839 -3.979 -4.590 1.00 0.29 C ATOM 1351 CG2 VAL A 84 1.629 -3.760 -4.070 1.00 0.28 C ATOM 0 H VAL A 84 2.530 -4.450 -6.708 1.00 0.27 H new ATOM 0 HA VAL A 84 0.934 -6.224 -5.116 1.00 0.27 H new ATOM 0 HB VAL A 84 0.681 -3.310 -5.948 1.00 0.28 H new ATOM 0 HG11 VAL A 84 -0.982 -3.008 -4.117 1.00 0.29 H new ATOM 0 HG12 VAL A 84 -1.563 -4.101 -5.395 1.00 0.29 H new ATOM 0 HG13 VAL A 84 -0.982 -4.767 -3.851 1.00 0.29 H new ATOM 0 HG21 VAL A 84 1.394 -2.802 -3.606 1.00 0.28 H new ATOM 0 HG22 VAL A 84 1.601 -4.546 -3.315 1.00 0.28 H new ATOM 0 HG23 VAL A 84 2.625 -3.715 -4.510 1.00 0.28 H new ATOM 1361 N LYS A 85 -0.670 -7.008 -6.894 1.00 0.28 N ATOM 1362 CA LYS A 85 -1.744 -7.411 -7.786 1.00 0.29 C ATOM 1363 C LYS A 85 -3.046 -7.566 -7.000 1.00 0.28 C ATOM 1364 O LYS A 85 -3.250 -8.566 -6.311 1.00 0.28 O ATOM 1365 CB LYS A 85 -1.388 -8.719 -8.513 1.00 0.30 C ATOM 1366 CG LYS A 85 -2.214 -8.971 -9.771 1.00 0.33 C ATOM 1367 CD LYS A 85 -3.569 -9.578 -9.437 1.00 0.34 C ATOM 1368 CE LYS A 85 -4.584 -9.376 -10.558 1.00 0.38 C ATOM 1369 NZ LYS A 85 -5.979 -9.591 -10.097 1.00 0.40 N ATOM 0 H LYS A 85 -0.296 -7.759 -6.313 1.00 0.28 H new ATOM 0 HA LYS A 85 -1.881 -6.635 -8.540 1.00 0.29 H new ATOM 0 HB2 LYS A 85 -0.332 -8.698 -8.782 1.00 0.30 H new ATOM 0 HB3 LYS A 85 -1.526 -9.554 -7.826 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -2.357 -8.033 -10.308 1.00 0.33 H new ATOM 0 HG3 LYS A 85 -1.669 -9.640 -10.437 1.00 0.33 H new ATOM 0 HD2 LYS A 85 -3.450 -10.644 -9.245 1.00 0.34 H new ATOM 0 HD3 LYS A 85 -3.950 -9.129 -8.519 1.00 0.34 H new ATOM 0 HE2 LYS A 85 -4.486 -8.366 -10.957 1.00 0.38 H new ATOM 0 HE3 LYS A 85 -4.363 -10.064 -11.374 1.00 0.38 H new ATOM 0 HZ1 LYS A 85 -6.631 -9.477 -10.899 1.00 0.40 H new ATOM 0 HZ2 LYS A 85 -6.072 -10.551 -9.709 1.00 0.40 H new ATOM 0 HZ3 LYS A 85 -6.212 -8.896 -9.359 1.00 0.40 H new ATOM 1383 N LYS A 86 -3.910 -6.561 -7.115 1.00 0.29 N ATOM 1384 CA LYS A 86 -5.205 -6.545 -6.435 1.00 0.29 C ATOM 1385 C LYS A 86 -6.032 -7.766 -6.829 1.00 0.28 C ATOM 1386 O LYS A 86 -6.547 -7.821 -7.947 1.00 0.29 O ATOM 1387 CB LYS A 86 -5.989 -5.282 -6.834 1.00 0.33 C ATOM 1388 CG LYS A 86 -5.533 -3.998 -6.154 1.00 0.53 C ATOM 1389 CD LYS A 86 -5.942 -2.779 -6.958 1.00 0.84 C ATOM 1390 CE LYS A 86 -5.876 -1.508 -6.122 1.00 0.94 C ATOM 1391 NZ LYS A 86 -6.890 -1.509 -5.024 1.00 0.56 N ATOM 0 H LYS A 86 -3.733 -5.733 -7.683 1.00 0.29 H new ATOM 0 HA LYS A 86 -5.024 -6.556 -5.360 1.00 0.29 H new ATOM 0 HB2 LYS A 86 -5.911 -5.151 -7.913 1.00 0.33 H new ATOM 0 HB3 LYS A 86 -7.043 -5.441 -6.607 1.00 0.33 H new ATOM 0 HG2 LYS A 86 -5.964 -3.939 -5.154 1.00 0.53 H new ATOM 0 HG3 LYS A 86 -4.450 -4.011 -6.034 1.00 0.53 H new ATOM 0 HD2 LYS A 86 -5.290 -2.679 -7.825 1.00 0.84 H new ATOM 0 HD3 LYS A 86 -6.956 -2.915 -7.335 1.00 0.84 H new ATOM 0 HE2 LYS A 86 -4.878 -1.406 -5.695 1.00 0.94 H new ATOM 0 HE3 LYS A 86 -6.038 -0.642 -6.764 1.00 0.94 H new ATOM 0 HZ1 LYS A 86 -7.053 -0.534 -4.701 1.00 0.56 H new ATOM 0 HZ2 LYS A 86 -7.782 -1.911 -5.376 1.00 0.56 H new ATOM 0 HZ3 LYS A 86 -6.541 -2.083 -4.230 1.00 0.56 H new ATOM 1405 N GLU A 87 -6.136 -8.764 -5.956 1.00 0.27 N ATOM 1406 CA GLU A 87 -6.939 -9.930 -6.296 1.00 0.28 C ATOM 1407 C GLU A 87 -8.394 -9.648 -5.972 1.00 0.28 C ATOM 1408 O GLU A 87 -9.215 -9.522 -6.884 1.00 0.30 O ATOM 1409 CB GLU A 87 -6.438 -11.192 -5.593 1.00 0.31 C ATOM 1410 CG GLU A 87 -6.532 -12.437 -6.460 1.00 0.35 C ATOM 1411 CD GLU A 87 -5.821 -12.280 -7.793 1.00 0.40 C ATOM 1412 OE1 GLU A 87 -6.463 -11.813 -8.764 1.00 0.86 O ATOM 1413 OE2 GLU A 87 -4.624 -12.627 -7.884 1.00 0.86 O ATOM 0 H GLU A 87 -5.691 -8.790 -5.039 1.00 0.27 H new ATOM 0 HA GLU A 87 -6.845 -10.120 -7.365 1.00 0.28 H new ATOM 0 HB2 GLU A 87 -5.401 -11.045 -5.291 1.00 0.31 H new ATOM 0 HB3 GLU A 87 -7.016 -11.347 -4.682 1.00 0.31 H new ATOM 0 HG2 GLU A 87 -6.103 -13.282 -5.922 1.00 0.35 H new ATOM 0 HG3 GLU A 87 -7.581 -12.672 -6.638 1.00 0.35 H new ATOM 1420 N ARG A 88 -8.720 -9.519 -4.683 1.00 0.29 N ATOM 1421 CA ARG A 88 -10.091 -9.213 -4.279 1.00 0.29 C ATOM 1422 C ARG A 88 -10.203 -8.898 -2.791 1.00 0.30 C ATOM 1423 O ARG A 88 -9.947 -9.741 -1.942 1.00 0.37 O ATOM 1424 CB ARG A 88 -11.061 -10.360 -4.604 1.00 0.33 C ATOM 1425 CG ARG A 88 -12.418 -9.885 -5.116 1.00 0.34 C ATOM 1426 CD ARG A 88 -12.990 -8.748 -4.245 1.00 0.33 C ATOM 1427 NE ARG A 88 -14.191 -8.098 -4.801 1.00 0.37 N ATOM 1428 CZ ARG A 88 -15.436 -8.513 -4.579 1.00 0.50 C ATOM 1429 NH1 ARG A 88 -15.672 -9.514 -3.745 1.00 0.58 N ATOM 1430 NH2 ARG A 88 -16.456 -7.894 -5.166 1.00 0.67 N ATOM 0 H ARG A 88 -8.061 -9.621 -3.911 1.00 0.29 H new ATOM 0 HA ARG A 88 -10.366 -8.329 -4.855 1.00 0.29 H new ATOM 0 HB2 ARG A 88 -10.606 -11.008 -5.353 1.00 0.33 H new ATOM 0 HB3 ARG A 88 -11.211 -10.963 -3.708 1.00 0.33 H new ATOM 0 HG2 ARG A 88 -12.318 -9.540 -6.145 1.00 0.34 H new ATOM 0 HG3 ARG A 88 -13.116 -10.722 -5.127 1.00 0.34 H new ATOM 0 HD2 ARG A 88 -13.232 -9.148 -3.260 1.00 0.33 H new ATOM 0 HD3 ARG A 88 -12.217 -7.993 -4.102 1.00 0.33 H new ATOM 0 HE ARG A 88 -14.059 -7.278 -5.393 1.00 0.37 H new ATOM 0 HH11 ARG A 88 -14.897 -9.973 -3.267 1.00 0.58 H new ATOM 0 HH12 ARG A 88 -16.629 -9.826 -3.580 1.00 0.58 H new ATOM 0 HH21 ARG A 88 -16.284 -7.102 -5.786 1.00 0.67 H new ATOM 0 HH22 ARG A 88 -17.411 -8.211 -4.997 1.00 0.67 H new ATOM 1444 N ILE A 89 -10.589 -7.671 -2.495 1.00 0.27 N ATOM 1445 CA ILE A 89 -10.816 -7.253 -1.128 1.00 0.27 C ATOM 1446 C ILE A 89 -12.287 -7.525 -0.808 1.00 0.28 C ATOM 1447 O ILE A 89 -13.170 -7.067 -1.529 1.00 0.30 O ATOM 1448 CB ILE A 89 -10.490 -5.753 -0.932 1.00 0.28 C ATOM 1449 CG1 ILE A 89 -8.981 -5.513 -1.046 1.00 0.31 C ATOM 1450 CG2 ILE A 89 -11.011 -5.255 0.411 1.00 0.28 C ATOM 1451 CD1 ILE A 89 -8.598 -4.058 -1.247 1.00 0.42 C ATOM 0 H ILE A 89 -10.752 -6.943 -3.190 1.00 0.27 H new ATOM 0 HA ILE A 89 -10.161 -7.808 -0.457 1.00 0.27 H new ATOM 0 HB ILE A 89 -10.991 -5.190 -1.720 1.00 0.28 H new ATOM 0 HG12 ILE A 89 -8.496 -5.884 -0.143 1.00 0.31 H new ATOM 0 HG13 ILE A 89 -8.593 -6.098 -1.880 1.00 0.31 H new ATOM 0 HG21 ILE A 89 -10.770 -4.198 0.526 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -12.092 -5.387 0.453 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -10.544 -5.823 1.216 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -7.514 -3.974 -1.318 1.00 0.42 H new ATOM 0 HD12 ILE A 89 -9.052 -3.686 -2.165 1.00 0.42 H new ATOM 0 HD13 ILE A 89 -8.953 -3.468 -0.402 1.00 0.42 H new ATOM 1463 N GLU A 90 -12.565 -8.272 0.243 1.00 0.28 N ATOM 1464 CA GLU A 90 -13.950 -8.597 0.575 1.00 0.31 C ATOM 1465 C GLU A 90 -14.604 -7.437 1.301 1.00 0.30 C ATOM 1466 O GLU A 90 -13.914 -6.633 1.926 1.00 0.29 O ATOM 1467 CB GLU A 90 -14.025 -9.874 1.410 1.00 0.35 C ATOM 1468 CG GLU A 90 -13.930 -11.145 0.582 1.00 0.45 C ATOM 1469 CD GLU A 90 -14.855 -11.126 -0.619 1.00 0.59 C ATOM 1470 OE1 GLU A 90 -16.047 -11.467 -0.460 1.00 0.77 O ATOM 1471 OE2 GLU A 90 -14.399 -10.772 -1.729 1.00 0.80 O ATOM 0 H GLU A 90 -11.867 -8.663 0.876 1.00 0.28 H new ATOM 0 HA GLU A 90 -14.494 -8.773 -0.353 1.00 0.31 H new ATOM 0 HB2 GLU A 90 -13.219 -9.867 2.144 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -14.963 -9.881 1.966 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -12.903 -11.278 0.243 1.00 0.45 H new ATOM 0 HG3 GLU A 90 -14.172 -12.003 1.210 1.00 0.45 H new ATOM 1478 N LYS A 91 -15.933 -7.392 1.257 1.00 0.34 N ATOM 1479 CA LYS A 91 -16.694 -6.314 1.871 1.00 0.36 C ATOM 1480 C LYS A 91 -17.614 -6.886 2.943 1.00 0.39 C ATOM 1481 O LYS A 91 -18.159 -7.984 2.785 1.00 0.43 O ATOM 1482 CB LYS A 91 -17.565 -5.596 0.831 1.00 0.39 C ATOM 1483 CG LYS A 91 -16.818 -5.045 -0.375 1.00 0.36 C ATOM 1484 CD LYS A 91 -17.693 -4.071 -1.155 1.00 0.50 C ATOM 1485 CE LYS A 91 -16.974 -3.483 -2.356 1.00 0.48 C ATOM 1486 NZ LYS A 91 -17.776 -2.419 -3.015 1.00 0.82 N ATOM 0 H LYS A 91 -16.507 -8.098 0.797 1.00 0.34 H new ATOM 0 HA LYS A 91 -15.986 -5.606 2.303 1.00 0.36 H new ATOM 0 HB2 LYS A 91 -18.328 -6.290 0.479 1.00 0.39 H new ATOM 0 HB3 LYS A 91 -18.085 -4.774 1.322 1.00 0.39 H new ATOM 0 HG2 LYS A 91 -15.909 -4.541 -0.046 1.00 0.36 H new ATOM 0 HG3 LYS A 91 -16.511 -5.865 -1.024 1.00 0.36 H new ATOM 0 HD2 LYS A 91 -18.594 -4.584 -1.490 1.00 0.50 H new ATOM 0 HD3 LYS A 91 -18.012 -3.264 -0.495 1.00 0.50 H new ATOM 0 HE2 LYS A 91 -16.015 -3.072 -2.040 1.00 0.48 H new ATOM 0 HE3 LYS A 91 -16.760 -4.274 -3.075 1.00 0.48 H new ATOM 0 HZ1 LYS A 91 -17.251 -2.043 -3.830 1.00 0.82 H new ATOM 0 HZ2 LYS A 91 -18.680 -2.817 -3.339 1.00 0.82 H new ATOM 0 HZ3 LYS A 91 -17.959 -1.652 -2.337 1.00 0.82 H new ATOM 1500 N LEU A 92 -17.773 -6.158 4.022 1.00 0.41 N ATOM 1501 CA LEU A 92 -18.652 -6.563 5.104 1.00 0.45 C ATOM 1502 C LEU A 92 -19.140 -5.314 5.817 1.00 0.46 C ATOM 1503 O LEU A 92 -18.332 -4.476 6.227 1.00 0.46 O ATOM 1504 CB LEU A 92 -17.917 -7.509 6.061 1.00 0.47 C ATOM 1505 CG LEU A 92 -18.735 -8.055 7.237 1.00 0.53 C ATOM 1506 CD1 LEU A 92 -19.909 -8.891 6.745 1.00 0.63 C ATOM 1507 CD2 LEU A 92 -17.840 -8.884 8.150 1.00 0.56 C ATOM 0 H LEU A 92 -17.299 -5.268 4.179 1.00 0.41 H new ATOM 0 HA LEU A 92 -19.511 -7.108 4.712 1.00 0.45 H new ATOM 0 HB2 LEU A 92 -17.540 -8.354 5.485 1.00 0.47 H new ATOM 0 HB3 LEU A 92 -17.050 -6.984 6.462 1.00 0.47 H new ATOM 0 HG LEU A 92 -19.136 -7.211 7.799 1.00 0.53 H new ATOM 0 HD11 LEU A 92 -20.472 -9.266 7.600 1.00 0.63 H new ATOM 0 HD12 LEU A 92 -20.559 -8.275 6.124 1.00 0.63 H new ATOM 0 HD13 LEU A 92 -19.537 -9.731 6.159 1.00 0.63 H new ATOM 0 HD21 LEU A 92 -18.427 -9.269 8.984 1.00 0.56 H new ATOM 0 HD22 LEU A 92 -17.419 -9.717 7.588 1.00 0.56 H new ATOM 0 HD23 LEU A 92 -17.033 -8.260 8.533 1.00 0.56 H new