USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 46 HIS : no HD1:sc= -0.201 K(o=0.53,f=-3.2!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.727 K(o=0.53,f=-2.6!) USER MOD Single : A 11 SER OG : rot 171:sc= 1.64 USER MOD Single : A 15 ASN : amide:sc= 0.291 K(o=0.29,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 30:sc=-0.00647 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.0819 USER MOD Single : A 24 ASN : amide:sc= 0.326 K(o=0.33,f=-4!) USER MOD Single : A 37 THR OG1 : rot 112:sc= 0.545 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0.588 (180deg=0.543) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.963) USER MOD Single : A 59 MET CE :methyl -144:sc= -0.0411 (180deg=-2.37) USER MOD Single : A 61 MET CE :methyl -170:sc= -0.0453 (180deg=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 0.294! (180deg=-0.293!) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 2.08 (180deg=2.05) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.45 (180deg=1.32) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= 0.0975 (180deg=-0.299) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.569) USER MOD Single : A 112 LYS NZ :NH3+ -162:sc= 0.119 (180deg=-0.934!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 3.974 -1.275 11.817 1.00 1.91 N ATOM 56 CA GLU A 5 3.208 -2.101 10.885 1.00 1.17 C ATOM 57 C GLU A 5 2.195 -1.285 10.059 1.00 1.12 C ATOM 58 O GLU A 5 1.923 -0.110 10.314 1.00 1.65 O ATOM 59 CB GLU A 5 2.472 -3.231 11.633 1.00 2.21 C ATOM 60 CG GLU A 5 3.366 -4.105 12.526 1.00 3.02 C ATOM 61 CD GLU A 5 3.323 -3.659 13.987 1.00 3.96 C ATOM 62 OE1 GLU A 5 3.755 -2.510 14.249 1.00 4.51 O ATOM 63 OE2 GLU A 5 2.847 -4.455 14.823 1.00 4.91 O ATOM 0 HA GLU A 5 3.931 -2.529 10.191 1.00 1.17 H new ATOM 0 HB2 GLU A 5 1.689 -2.789 12.249 1.00 2.21 H new ATOM 0 HB3 GLU A 5 1.979 -3.870 10.901 1.00 2.21 H new ATOM 0 HG2 GLU A 5 3.045 -5.144 12.454 1.00 3.02 H new ATOM 0 HG3 GLU A 5 4.393 -4.063 12.164 1.00 3.02 H new ATOM 70 N GLY A 6 1.627 -1.946 9.047 1.00 1.01 N ATOM 71 CA GLY A 6 0.627 -1.392 8.136 1.00 0.96 C ATOM 72 C GLY A 6 -0.782 -1.865 8.476 1.00 0.87 C ATOM 73 O GLY A 6 -0.972 -2.646 9.403 1.00 0.97 O ATOM 0 H GLY A 6 1.860 -2.916 8.834 1.00 1.01 H new ATOM 0 HA2 GLY A 6 0.663 -0.303 8.177 1.00 0.96 H new ATOM 0 HA3 GLY A 6 0.869 -1.681 7.113 1.00 0.96 H new ATOM 77 N TRP A 7 -1.773 -1.447 7.681 1.00 0.80 N ATOM 78 CA TRP A 7 -3.156 -1.946 7.768 1.00 0.72 C ATOM 79 C TRP A 7 -3.947 -1.801 6.452 1.00 0.68 C ATOM 80 O TRP A 7 -3.536 -1.106 5.529 1.00 0.68 O ATOM 81 CB TRP A 7 -3.882 -1.332 8.978 1.00 0.73 C ATOM 82 CG TRP A 7 -4.325 0.091 8.884 1.00 0.73 C ATOM 83 CD1 TRP A 7 -5.589 0.492 8.625 1.00 0.80 C ATOM 84 CD2 TRP A 7 -3.572 1.308 9.186 1.00 1.00 C ATOM 85 NE1 TRP A 7 -5.679 1.860 8.770 1.00 1.13 N ATOM 86 CE2 TRP A 7 -4.473 2.413 9.146 1.00 1.28 C ATOM 87 CE3 TRP A 7 -2.234 1.586 9.540 1.00 1.19 C ATOM 88 CZ2 TRP A 7 -4.077 3.718 9.478 1.00 1.74 C ATOM 89 CZ3 TRP A 7 -1.815 2.895 9.843 1.00 1.58 C ATOM 90 CH2 TRP A 7 -2.736 3.959 9.824 1.00 1.86 C ATOM 0 H TRP A 7 -1.640 -0.747 6.952 1.00 0.80 H new ATOM 0 HA TRP A 7 -3.097 -3.022 7.931 1.00 0.72 H new ATOM 0 HB2 TRP A 7 -4.761 -1.942 9.184 1.00 0.73 H new ATOM 0 HB3 TRP A 7 -3.223 -1.420 9.842 1.00 0.73 H new ATOM 0 HD1 TRP A 7 -6.404 -0.160 8.347 1.00 0.80 H new ATOM 0 HE1 TRP A 7 -6.533 2.397 8.618 1.00 1.13 H new ATOM 0 HE3 TRP A 7 -1.518 0.778 9.579 1.00 1.19 H new ATOM 0 HZ2 TRP A 7 -4.793 4.526 9.468 1.00 1.74 H new ATOM 0 HZ3 TRP A 7 -0.781 3.084 10.091 1.00 1.58 H new ATOM 0 HH2 TRP A 7 -2.413 4.959 10.075 1.00 1.86 H new ATOM 101 N VAL A 8 -5.079 -2.489 6.329 1.00 0.77 N ATOM 102 CA VAL A 8 -5.996 -2.424 5.175 1.00 0.78 C ATOM 103 C VAL A 8 -7.250 -1.648 5.586 1.00 0.82 C ATOM 104 O VAL A 8 -7.730 -1.819 6.704 1.00 0.84 O ATOM 105 CB VAL A 8 -6.383 -3.830 4.659 1.00 0.83 C ATOM 106 CG1 VAL A 8 -7.203 -3.744 3.357 1.00 0.98 C ATOM 107 CG2 VAL A 8 -5.156 -4.721 4.400 1.00 0.83 C ATOM 0 H VAL A 8 -5.402 -3.133 7.051 1.00 0.77 H new ATOM 0 HA VAL A 8 -5.485 -1.915 4.357 1.00 0.78 H new ATOM 0 HB VAL A 8 -6.983 -4.279 5.450 1.00 0.83 H new ATOM 0 HG11 VAL A 8 -7.459 -4.749 3.021 1.00 0.98 H new ATOM 0 HG12 VAL A 8 -8.117 -3.179 3.539 1.00 0.98 H new ATOM 0 HG13 VAL A 8 -6.614 -3.243 2.588 1.00 0.98 H new ATOM 0 HG21 VAL A 8 -5.484 -5.696 4.039 1.00 0.83 H new ATOM 0 HG22 VAL A 8 -4.518 -4.253 3.650 1.00 0.83 H new ATOM 0 HG23 VAL A 8 -4.595 -4.847 5.326 1.00 0.83 H new ATOM 117 N ARG A 9 -7.784 -0.818 4.682 1.00 0.87 N ATOM 118 CA ARG A 9 -8.890 0.116 4.952 1.00 0.95 C ATOM 119 C ARG A 9 -10.291 -0.531 5.075 1.00 1.02 C ATOM 120 O ARG A 9 -11.263 0.205 5.248 1.00 2.41 O ATOM 121 CB ARG A 9 -8.896 1.204 3.855 1.00 1.13 C ATOM 122 CG ARG A 9 -9.461 2.546 4.354 1.00 1.32 C ATOM 123 CD ARG A 9 -9.694 3.563 3.229 1.00 1.95 C ATOM 124 NE ARG A 9 -10.575 4.624 3.731 1.00 2.22 N ATOM 125 CZ ARG A 9 -10.968 5.759 3.182 1.00 3.23 C ATOM 126 NH1 ARG A 9 -10.499 6.196 2.029 1.00 4.36 N ATOM 127 NH2 ARG A 9 -11.868 6.459 3.838 1.00 3.77 N ATOM 0 H ARG A 9 -7.453 -0.774 3.718 1.00 0.87 H new ATOM 0 HA ARG A 9 -8.699 0.538 5.939 1.00 0.95 H new ATOM 0 HB2 ARG A 9 -7.879 1.355 3.493 1.00 1.13 H new ATOM 0 HB3 ARG A 9 -9.488 0.857 3.008 1.00 1.13 H new ATOM 0 HG2 ARG A 9 -10.403 2.366 4.872 1.00 1.32 H new ATOM 0 HG3 ARG A 9 -8.773 2.973 5.084 1.00 1.32 H new ATOM 0 HD2 ARG A 9 -8.745 3.985 2.898 1.00 1.95 H new ATOM 0 HD3 ARG A 9 -10.145 3.075 2.365 1.00 1.95 H new ATOM 0 HE ARG A 9 -10.948 4.456 4.665 1.00 2.22 H new ATOM 0 HH11 ARG A 9 -9.802 5.650 1.522 1.00 4.36 H new ATOM 0 HH12 ARG A 9 -10.833 7.080 1.644 1.00 4.36 H new ATOM 0 HH21 ARG A 9 -12.230 6.118 4.729 1.00 3.77 H new ATOM 0 HH22 ARG A 9 -12.204 7.343 3.456 1.00 3.77 H new ATOM 141 N PHE A 10 -10.435 -1.858 4.903 1.00 1.17 N ATOM 142 CA PHE A 10 -11.740 -2.543 4.798 1.00 1.29 C ATOM 143 C PHE A 10 -12.523 -2.090 3.534 1.00 1.59 C ATOM 144 O PHE A 10 -12.117 -1.164 2.831 1.00 2.20 O ATOM 145 CB PHE A 10 -12.498 -2.399 6.151 1.00 1.34 C ATOM 146 CG PHE A 10 -14.001 -2.232 6.115 1.00 1.32 C ATOM 147 CD1 PHE A 10 -14.580 -1.044 5.626 1.00 1.89 C ATOM 148 CD2 PHE A 10 -14.826 -3.253 6.616 1.00 1.75 C ATOM 149 CE1 PHE A 10 -15.976 -0.909 5.589 1.00 1.98 C ATOM 150 CE2 PHE A 10 -16.219 -3.091 6.645 1.00 1.75 C ATOM 151 CZ PHE A 10 -16.799 -1.927 6.109 1.00 1.44 C ATOM 0 H PHE A 10 -9.640 -2.493 4.832 1.00 1.17 H new ATOM 0 HA PHE A 10 -11.605 -3.613 4.638 1.00 1.29 H new ATOM 0 HB2 PHE A 10 -12.275 -3.280 6.753 1.00 1.34 H new ATOM 0 HB3 PHE A 10 -12.080 -1.540 6.677 1.00 1.34 H new ATOM 0 HD1 PHE A 10 -13.950 -0.238 5.280 1.00 1.89 H new ATOM 0 HD2 PHE A 10 -14.385 -4.169 6.981 1.00 1.75 H new ATOM 0 HE1 PHE A 10 -16.421 -0.023 5.161 1.00 1.98 H new ATOM 0 HE2 PHE A 10 -16.844 -3.858 7.078 1.00 1.75 H new ATOM 0 HZ PHE A 10 -17.873 -1.814 6.096 1.00 1.44 H new ATOM 161 N SER A 11 -13.652 -2.732 3.217 1.00 1.37 N ATOM 162 CA SER A 11 -14.648 -2.196 2.281 1.00 1.51 C ATOM 163 C SER A 11 -16.005 -2.884 2.492 1.00 1.29 C ATOM 164 O SER A 11 -16.024 -4.019 2.972 1.00 1.57 O ATOM 165 CB SER A 11 -14.169 -2.392 0.830 1.00 2.19 C ATOM 166 OG SER A 11 -14.993 -1.724 -0.113 1.00 3.08 O ATOM 0 H SER A 11 -13.903 -3.642 3.604 1.00 1.37 H new ATOM 0 HA SER A 11 -14.768 -1.129 2.470 1.00 1.51 H new ATOM 0 HB2 SER A 11 -13.146 -2.026 0.737 1.00 2.19 H new ATOM 0 HB3 SER A 11 -14.149 -3.457 0.599 1.00 2.19 H new ATOM 0 HG SER A 11 -14.573 -1.759 -0.998 1.00 3.08 H new ATOM 172 N PRO A 12 -17.136 -2.239 2.146 1.00 1.33 N ATOM 173 CA PRO A 12 -18.417 -2.909 1.940 1.00 1.51 C ATOM 174 C PRO A 12 -18.564 -3.465 0.507 1.00 1.52 C ATOM 175 O PRO A 12 -19.591 -4.071 0.203 1.00 2.08 O ATOM 176 CB PRO A 12 -19.454 -1.816 2.217 1.00 1.87 C ATOM 177 CG PRO A 12 -18.771 -0.562 1.669 1.00 1.93 C ATOM 178 CD PRO A 12 -17.298 -0.795 2.007 1.00 1.64 C ATOM 0 HA PRO A 12 -18.529 -3.778 2.588 1.00 1.51 H new ATOM 0 HB2 PRO A 12 -20.399 -2.016 1.712 1.00 1.87 H new ATOM 0 HB3 PRO A 12 -19.674 -1.726 3.281 1.00 1.87 H new ATOM 0 HG2 PRO A 12 -18.926 -0.455 0.595 1.00 1.93 H new ATOM 0 HG3 PRO A 12 -19.154 0.344 2.139 1.00 1.93 H new ATOM 0 HD2 PRO A 12 -16.652 -0.405 1.221 1.00 1.64 H new ATOM 0 HD3 PRO A 12 -17.024 -0.282 2.929 1.00 1.64 H new ATOM 186 N GLY A 13 -17.586 -3.226 -0.380 1.00 1.23 N ATOM 187 CA GLY A 13 -17.635 -3.554 -1.807 1.00 1.45 C ATOM 188 C GLY A 13 -16.384 -4.275 -2.342 1.00 1.22 C ATOM 189 O GLY A 13 -15.493 -4.647 -1.576 1.00 1.15 O ATOM 0 H GLY A 13 -16.708 -2.782 -0.110 1.00 1.23 H new ATOM 0 HA2 GLY A 13 -18.507 -4.181 -1.993 1.00 1.45 H new ATOM 0 HA3 GLY A 13 -17.778 -2.634 -2.373 1.00 1.45 H new ATOM 193 N PRO A 14 -16.308 -4.485 -3.673 1.00 1.34 N ATOM 194 CA PRO A 14 -15.235 -5.244 -4.322 1.00 1.37 C ATOM 195 C PRO A 14 -13.898 -4.491 -4.395 1.00 1.03 C ATOM 196 O PRO A 14 -12.861 -5.109 -4.620 1.00 1.11 O ATOM 197 CB PRO A 14 -15.758 -5.534 -5.732 1.00 1.76 C ATOM 198 CG PRO A 14 -16.689 -4.359 -6.023 1.00 1.85 C ATOM 199 CD PRO A 14 -17.298 -4.060 -4.655 1.00 1.68 C ATOM 0 HA PRO A 14 -15.012 -6.142 -3.746 1.00 1.37 H new ATOM 0 HB2 PRO A 14 -14.946 -5.590 -6.457 1.00 1.76 H new ATOM 0 HB3 PRO A 14 -16.289 -6.485 -5.774 1.00 1.76 H new ATOM 0 HG2 PRO A 14 -16.145 -3.501 -6.420 1.00 1.85 H new ATOM 0 HG3 PRO A 14 -17.452 -4.620 -6.757 1.00 1.85 H new ATOM 0 HD2 PRO A 14 -17.520 -2.998 -4.551 1.00 1.68 H new ATOM 0 HD3 PRO A 14 -18.237 -4.597 -4.520 1.00 1.68 H new ATOM 207 N ASN A 15 -13.917 -3.167 -4.245 1.00 0.88 N ATOM 208 CA ASN A 15 -12.766 -2.277 -4.268 1.00 0.75 C ATOM 209 C ASN A 15 -12.347 -1.766 -2.880 1.00 0.71 C ATOM 210 O ASN A 15 -13.176 -1.402 -2.046 1.00 0.87 O ATOM 211 CB ASN A 15 -13.102 -1.085 -5.171 1.00 1.03 C ATOM 212 CG ASN A 15 -14.384 -0.345 -4.778 1.00 1.54 C ATOM 213 OD1 ASN A 15 -15.480 -0.877 -4.873 1.00 2.66 O ATOM 214 ND2 ASN A 15 -14.285 0.886 -4.300 1.00 2.13 N ATOM 0 H ASN A 15 -14.790 -2.661 -4.096 1.00 0.88 H new ATOM 0 HA ASN A 15 -11.919 -2.849 -4.646 1.00 0.75 H new ATOM 0 HB2 ASN A 15 -12.269 -0.382 -5.152 1.00 1.03 H new ATOM 0 HB3 ASN A 15 -13.199 -1.437 -6.198 1.00 1.03 H new ATOM 0 HD21 ASN A 15 -15.123 1.390 -4.011 1.00 2.13 H new ATOM 0 HD22 ASN A 15 -13.370 1.330 -4.221 1.00 2.13 H new ATOM 221 N ALA A 16 -11.035 -1.632 -2.683 1.00 0.64 N ATOM 222 CA ALA A 16 -10.371 -1.273 -1.423 1.00 0.63 C ATOM 223 C ALA A 16 -9.003 -0.585 -1.652 1.00 0.61 C ATOM 224 O ALA A 16 -8.586 -0.378 -2.791 1.00 0.60 O ATOM 225 CB ALA A 16 -10.243 -2.552 -0.577 1.00 0.66 C ATOM 0 H ALA A 16 -10.367 -1.779 -3.439 1.00 0.64 H new ATOM 0 HA ALA A 16 -10.972 -0.536 -0.891 1.00 0.63 H new ATOM 0 HB1 ALA A 16 -9.752 -2.316 0.367 1.00 0.66 H new ATOM 0 HB2 ALA A 16 -11.235 -2.958 -0.379 1.00 0.66 H new ATOM 0 HB3 ALA A 16 -9.651 -3.289 -1.119 1.00 0.66 H new ATOM 231 N ALA A 17 -8.302 -0.237 -0.569 1.00 0.63 N ATOM 232 CA ALA A 17 -6.965 0.375 -0.541 1.00 0.60 C ATOM 233 C ALA A 17 -6.186 -0.197 0.659 1.00 0.62 C ATOM 234 O ALA A 17 -6.738 -0.283 1.763 1.00 0.75 O ATOM 235 CB ALA A 17 -7.113 1.896 -0.384 1.00 0.65 C ATOM 0 H ALA A 17 -8.673 -0.383 0.370 1.00 0.63 H new ATOM 0 HA ALA A 17 -6.429 0.158 -1.465 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -6.126 2.357 -0.362 1.00 0.65 H new ATOM 0 HB2 ALA A 17 -7.682 2.295 -1.224 1.00 0.65 H new ATOM 0 HB3 ALA A 17 -7.637 2.117 0.546 1.00 0.65 H new ATOM 241 N ALA A 18 -4.924 -0.587 0.462 1.00 0.71 N ATOM 242 CA ALA A 18 -4.080 -1.228 1.469 1.00 0.77 C ATOM 243 C ALA A 18 -2.826 -0.397 1.755 1.00 0.75 C ATOM 244 O ALA A 18 -2.185 0.127 0.837 1.00 0.78 O ATOM 245 CB ALA A 18 -3.711 -2.632 0.982 1.00 0.85 C ATOM 0 H ALA A 18 -4.448 -0.461 -0.431 1.00 0.71 H new ATOM 0 HA ALA A 18 -4.632 -1.301 2.406 1.00 0.77 H new ATOM 0 HB1 ALA A 18 -3.081 -3.121 1.725 1.00 0.85 H new ATOM 0 HB2 ALA A 18 -4.619 -3.217 0.835 1.00 0.85 H new ATOM 0 HB3 ALA A 18 -3.170 -2.559 0.039 1.00 0.85 H new ATOM 251 N TYR A 19 -2.475 -0.297 3.037 1.00 0.76 N ATOM 252 CA TYR A 19 -1.414 0.555 3.566 1.00 0.80 C ATOM 253 C TYR A 19 -0.296 -0.283 4.209 1.00 0.85 C ATOM 254 O TYR A 19 -0.129 -0.284 5.428 1.00 1.11 O ATOM 255 CB TYR A 19 -2.026 1.564 4.571 1.00 0.84 C ATOM 256 CG TYR A 19 -3.175 2.392 4.037 1.00 1.00 C ATOM 257 CD1 TYR A 19 -2.941 3.340 3.028 1.00 2.16 C ATOM 258 CD2 TYR A 19 -4.471 2.231 4.561 1.00 1.95 C ATOM 259 CE1 TYR A 19 -4.005 4.106 2.510 1.00 2.42 C ATOM 260 CE2 TYR A 19 -5.533 3.013 4.073 1.00 2.14 C ATOM 261 CZ TYR A 19 -5.306 3.944 3.037 1.00 1.71 C ATOM 262 OH TYR A 19 -6.330 4.711 2.571 1.00 2.12 O ATOM 0 H TYR A 19 -2.945 -0.833 3.767 1.00 0.76 H new ATOM 0 HA TYR A 19 -0.955 1.110 2.748 1.00 0.80 H new ATOM 0 HB2 TYR A 19 -2.372 1.015 5.447 1.00 0.84 H new ATOM 0 HB3 TYR A 19 -1.239 2.239 4.908 1.00 0.84 H new ATOM 0 HD1 TYR A 19 -1.941 3.483 2.647 1.00 2.16 H new ATOM 0 HD2 TYR A 19 -4.651 1.505 5.340 1.00 1.95 H new ATOM 0 HE1 TYR A 19 -3.827 4.814 1.714 1.00 2.42 H new ATOM 0 HE2 TYR A 19 -6.522 2.901 4.491 1.00 2.14 H new ATOM 0 HH TYR A 19 -6.164 4.945 1.634 1.00 2.12 H new ATOM 272 N LEU A 20 0.411 -1.096 3.410 1.00 1.55 N ATOM 273 CA LEU A 20 1.393 -2.079 3.907 1.00 1.65 C ATOM 274 C LEU A 20 2.685 -1.453 4.459 1.00 1.45 C ATOM 275 O LEU A 20 3.087 -0.374 4.025 1.00 1.25 O ATOM 276 CB LEU A 20 1.642 -3.156 2.825 1.00 1.79 C ATOM 277 CG LEU A 20 2.461 -2.732 1.579 1.00 1.57 C ATOM 278 CD1 LEU A 20 3.979 -2.831 1.791 1.00 1.83 C ATOM 279 CD2 LEU A 20 2.109 -3.644 0.395 1.00 2.16 C ATOM 0 H LEU A 20 0.319 -1.092 2.394 1.00 1.55 H new ATOM 0 HA LEU A 20 0.960 -2.565 4.781 1.00 1.65 H new ATOM 0 HB2 LEU A 20 2.153 -3.996 3.296 1.00 1.79 H new ATOM 0 HB3 LEU A 20 0.674 -3.523 2.484 1.00 1.79 H new ATOM 0 HG LEU A 20 2.203 -1.690 1.388 1.00 1.57 H new ATOM 0 HD11 LEU A 20 4.494 -2.520 0.882 1.00 1.83 H new ATOM 0 HD12 LEU A 20 4.274 -2.182 2.615 1.00 1.83 H new ATOM 0 HD13 LEU A 20 4.247 -3.861 2.026 1.00 1.83 H new ATOM 0 HD21 LEU A 20 2.686 -3.344 -0.480 1.00 2.16 H new ATOM 0 HD22 LEU A 20 2.346 -4.677 0.649 1.00 2.16 H new ATOM 0 HD23 LEU A 20 1.045 -3.559 0.174 1.00 2.16 H new ATOM 291 N THR A 21 3.378 -2.178 5.352 1.00 1.61 N ATOM 292 CA THR A 21 4.764 -1.890 5.769 1.00 1.62 C ATOM 293 C THR A 21 5.737 -2.674 4.899 1.00 1.71 C ATOM 294 O THR A 21 5.422 -3.779 4.470 1.00 2.07 O ATOM 295 CB THR A 21 4.979 -2.171 7.263 1.00 1.86 C ATOM 296 OG1 THR A 21 4.314 -1.131 7.921 1.00 2.00 O ATOM 297 CG2 THR A 21 6.433 -2.123 7.735 1.00 2.15 C ATOM 0 H THR A 21 2.985 -2.997 5.815 1.00 1.61 H new ATOM 0 HA THR A 21 4.955 -0.826 5.627 1.00 1.62 H new ATOM 0 HB THR A 21 4.625 -3.181 7.468 1.00 1.86 H new ATOM 0 HG1 THR A 21 4.760 -0.945 8.773 1.00 2.00 H new ATOM 0 HG21 THR A 21 6.476 -2.335 8.803 1.00 2.15 H new ATOM 0 HG22 THR A 21 7.016 -2.868 7.194 1.00 2.15 H new ATOM 0 HG23 THR A 21 6.845 -1.132 7.545 1.00 2.15 H new ATOM 305 N LEU A 22 6.905 -2.076 4.661 1.00 1.58 N ATOM 306 CA LEU A 22 8.070 -2.644 3.977 1.00 1.77 C ATOM 307 C LEU A 22 9.343 -2.404 4.810 1.00 1.52 C ATOM 308 O LEU A 22 9.789 -1.264 4.974 1.00 1.45 O ATOM 309 CB LEU A 22 8.165 -1.995 2.577 1.00 2.07 C ATOM 310 CG LEU A 22 9.501 -2.133 1.811 1.00 2.46 C ATOM 311 CD1 LEU A 22 10.066 -3.557 1.777 1.00 2.67 C ATOM 312 CD2 LEU A 22 9.291 -1.651 0.367 1.00 3.47 C ATOM 0 H LEU A 22 7.075 -1.116 4.961 1.00 1.58 H new ATOM 0 HA LEU A 22 7.966 -3.723 3.863 1.00 1.77 H new ATOM 0 HB2 LEU A 22 7.377 -2.420 1.956 1.00 2.07 H new ATOM 0 HB3 LEU A 22 7.948 -0.932 2.684 1.00 2.07 H new ATOM 0 HG LEU A 22 10.230 -1.526 2.349 1.00 2.46 H new ATOM 0 HD11 LEU A 22 11.003 -3.563 1.220 1.00 2.67 H new ATOM 0 HD12 LEU A 22 10.246 -3.901 2.795 1.00 2.67 H new ATOM 0 HD13 LEU A 22 9.351 -4.221 1.291 1.00 2.67 H new ATOM 0 HD21 LEU A 22 10.226 -1.742 -0.187 1.00 3.47 H new ATOM 0 HD22 LEU A 22 8.524 -2.260 -0.112 1.00 3.47 H new ATOM 0 HD23 LEU A 22 8.974 -0.608 0.374 1.00 3.47 H new ATOM 324 N GLU A 23 9.945 -3.477 5.310 1.00 1.60 N ATOM 325 CA GLU A 23 11.256 -3.500 5.947 1.00 1.62 C ATOM 326 C GLU A 23 12.323 -3.973 4.945 1.00 1.47 C ATOM 327 O GLU A 23 12.262 -5.097 4.451 1.00 1.67 O ATOM 328 CB GLU A 23 11.244 -4.449 7.167 1.00 2.07 C ATOM 329 CG GLU A 23 10.105 -4.210 8.181 1.00 2.74 C ATOM 330 CD GLU A 23 8.781 -4.922 7.851 1.00 4.08 C ATOM 331 OE1 GLU A 23 8.584 -5.331 6.685 1.00 5.19 O ATOM 332 OE2 GLU A 23 7.953 -5.013 8.774 1.00 4.80 O ATOM 0 H GLU A 23 9.511 -4.399 5.281 1.00 1.60 H new ATOM 0 HA GLU A 23 11.494 -2.490 6.281 1.00 1.62 H new ATOM 0 HB2 GLU A 23 11.177 -5.476 6.807 1.00 2.07 H new ATOM 0 HB3 GLU A 23 12.197 -4.355 7.688 1.00 2.07 H new ATOM 0 HG2 GLU A 23 10.440 -4.537 9.165 1.00 2.74 H new ATOM 0 HG3 GLU A 23 9.917 -3.138 8.248 1.00 2.74 H new ATOM 339 N ASN A 24 13.351 -3.159 4.676 1.00 1.28 N ATOM 340 CA ASN A 24 14.559 -3.621 3.988 1.00 1.20 C ATOM 341 C ASN A 24 15.647 -3.989 5.017 1.00 1.20 C ATOM 342 O ASN A 24 16.273 -3.087 5.581 1.00 1.33 O ATOM 343 CB ASN A 24 15.083 -2.553 3.011 1.00 1.20 C ATOM 344 CG ASN A 24 16.169 -3.131 2.109 1.00 1.26 C ATOM 345 OD1 ASN A 24 16.508 -4.305 2.173 1.00 1.82 O ATOM 346 ND2 ASN A 24 16.747 -2.328 1.246 1.00 1.06 N ATOM 0 H ASN A 24 13.368 -2.171 4.927 1.00 1.28 H new ATOM 0 HA ASN A 24 14.304 -4.509 3.409 1.00 1.20 H new ATOM 0 HB2 ASN A 24 14.261 -2.176 2.402 1.00 1.20 H new ATOM 0 HB3 ASN A 24 15.481 -1.706 3.570 1.00 1.20 H new ATOM 0 HD21 ASN A 24 17.478 -2.683 0.630 1.00 1.06 H new ATOM 0 HD22 ASN A 24 16.465 -1.349 1.192 1.00 1.06 H new ATOM 353 N PRO A 25 15.901 -5.284 5.278 1.00 1.17 N ATOM 354 CA PRO A 25 17.005 -5.722 6.131 1.00 1.17 C ATOM 355 C PRO A 25 18.349 -5.806 5.395 1.00 1.15 C ATOM 356 O PRO A 25 19.377 -6.000 6.045 1.00 1.21 O ATOM 357 CB PRO A 25 16.575 -7.113 6.612 1.00 1.25 C ATOM 358 CG PRO A 25 15.800 -7.652 5.407 1.00 1.28 C ATOM 359 CD PRO A 25 15.063 -6.418 4.912 1.00 1.24 C ATOM 0 HA PRO A 25 17.177 -5.009 6.937 1.00 1.17 H new ATOM 0 HB2 PRO A 25 17.432 -7.741 6.858 1.00 1.25 H new ATOM 0 HB3 PRO A 25 15.952 -7.060 7.505 1.00 1.25 H new ATOM 0 HG2 PRO A 25 16.465 -8.060 4.646 1.00 1.28 H new ATOM 0 HG3 PRO A 25 15.113 -8.449 5.690 1.00 1.28 H new ATOM 0 HD2 PRO A 25 14.910 -6.460 3.834 1.00 1.24 H new ATOM 0 HD3 PRO A 25 14.077 -6.340 5.371 1.00 1.24 H new ATOM 367 N GLY A 26 18.367 -5.689 4.063 1.00 1.12 N ATOM 368 CA GLY A 26 19.545 -5.893 3.238 1.00 1.21 C ATOM 369 C GLY A 26 20.480 -4.696 3.225 1.00 1.13 C ATOM 370 O GLY A 26 20.197 -3.617 3.739 1.00 1.30 O ATOM 0 H GLY A 26 17.538 -5.443 3.523 1.00 1.12 H new ATOM 0 HA2 GLY A 26 20.088 -6.766 3.600 1.00 1.21 H new ATOM 0 HA3 GLY A 26 19.232 -6.113 2.217 1.00 1.21 H new ATOM 374 N ASP A 27 21.630 -4.949 2.625 1.00 1.23 N ATOM 375 CA ASP A 27 22.782 -4.069 2.456 1.00 1.43 C ATOM 376 C ASP A 27 22.794 -3.386 1.076 1.00 1.39 C ATOM 377 O ASP A 27 23.589 -2.487 0.811 1.00 1.55 O ATOM 378 CB ASP A 27 23.998 -4.979 2.653 1.00 1.78 C ATOM 379 CG ASP A 27 24.035 -5.515 4.086 1.00 2.33 C ATOM 380 OD1 ASP A 27 23.362 -6.537 4.353 1.00 3.28 O ATOM 381 OD2 ASP A 27 24.554 -4.819 4.982 1.00 2.79 O ATOM 0 H ASP A 27 21.801 -5.862 2.202 1.00 1.23 H new ATOM 0 HA ASP A 27 22.768 -3.245 3.169 1.00 1.43 H new ATOM 0 HB2 ASP A 27 23.957 -5.809 1.948 1.00 1.78 H new ATOM 0 HB3 ASP A 27 24.913 -4.426 2.441 1.00 1.78 H new ATOM 386 N LEU A 28 21.851 -3.788 0.221 1.00 1.22 N ATOM 387 CA LEU A 28 21.515 -3.200 -1.071 1.00 1.16 C ATOM 388 C LEU A 28 20.055 -2.684 -1.031 1.00 1.11 C ATOM 389 O LEU A 28 19.287 -3.080 -0.147 1.00 1.11 O ATOM 390 CB LEU A 28 21.709 -4.281 -2.154 1.00 1.21 C ATOM 391 CG LEU A 28 23.124 -4.893 -2.242 1.00 2.43 C ATOM 392 CD1 LEU A 28 23.119 -6.035 -3.265 1.00 3.65 C ATOM 393 CD2 LEU A 28 24.175 -3.848 -2.646 1.00 3.61 C ATOM 0 H LEU A 28 21.261 -4.593 0.432 1.00 1.22 H new ATOM 0 HA LEU A 28 22.160 -2.352 -1.301 1.00 1.16 H new ATOM 0 HB2 LEU A 28 20.996 -5.085 -1.971 1.00 1.21 H new ATOM 0 HB3 LEU A 28 21.459 -3.848 -3.123 1.00 1.21 H new ATOM 0 HG LEU A 28 23.390 -5.268 -1.254 1.00 2.43 H new ATOM 0 HD11 LEU A 28 24.116 -6.470 -3.330 1.00 3.65 H new ATOM 0 HD12 LEU A 28 22.409 -6.801 -2.952 1.00 3.65 H new ATOM 0 HD13 LEU A 28 22.828 -5.648 -4.241 1.00 3.65 H new ATOM 0 HD21 LEU A 28 25.156 -4.320 -2.696 1.00 3.61 H new ATOM 0 HD22 LEU A 28 23.921 -3.435 -3.622 1.00 3.61 H new ATOM 0 HD23 LEU A 28 24.195 -3.047 -1.907 1.00 3.61 H new ATOM 405 N PRO A 29 19.641 -1.804 -1.961 1.00 1.12 N ATOM 406 CA PRO A 29 18.339 -1.160 -1.907 1.00 1.10 C ATOM 407 C PRO A 29 17.243 -2.077 -2.463 1.00 1.08 C ATOM 408 O PRO A 29 17.494 -2.923 -3.324 1.00 1.18 O ATOM 409 CB PRO A 29 18.489 0.124 -2.726 1.00 1.12 C ATOM 410 CG PRO A 29 19.551 -0.232 -3.769 1.00 1.14 C ATOM 411 CD PRO A 29 20.384 -1.344 -3.123 1.00 1.17 C ATOM 0 HA PRO A 29 18.034 -0.939 -0.884 1.00 1.10 H new ATOM 0 HB2 PRO A 29 17.548 0.412 -3.195 1.00 1.12 H new ATOM 0 HB3 PRO A 29 18.804 0.961 -2.103 1.00 1.12 H new ATOM 0 HG2 PRO A 29 19.093 -0.571 -4.698 1.00 1.14 H new ATOM 0 HG3 PRO A 29 20.169 0.632 -4.014 1.00 1.14 H new ATOM 0 HD2 PRO A 29 20.549 -2.161 -3.825 1.00 1.17 H new ATOM 0 HD3 PRO A 29 21.366 -0.972 -2.831 1.00 1.17 H new ATOM 419 N LEU A 30 16.012 -1.871 -1.986 1.00 0.96 N ATOM 420 CA LEU A 30 14.795 -2.433 -2.565 1.00 0.84 C ATOM 421 C LEU A 30 14.058 -1.377 -3.378 1.00 0.73 C ATOM 422 O LEU A 30 14.126 -0.178 -3.126 1.00 0.73 O ATOM 423 CB LEU A 30 13.861 -3.015 -1.481 1.00 0.84 C ATOM 424 CG LEU A 30 14.363 -4.361 -0.941 1.00 0.89 C ATOM 425 CD1 LEU A 30 13.604 -4.748 0.337 1.00 1.94 C ATOM 426 CD2 LEU A 30 14.236 -5.525 -1.935 1.00 1.57 C ATOM 0 H LEU A 30 15.833 -1.293 -1.165 1.00 0.96 H new ATOM 0 HA LEU A 30 15.092 -3.250 -3.222 1.00 0.84 H new ATOM 0 HB2 LEU A 30 13.776 -2.305 -0.658 1.00 0.84 H new ATOM 0 HB3 LEU A 30 12.861 -3.143 -1.896 1.00 0.84 H new ATOM 0 HG LEU A 30 15.424 -4.205 -0.745 1.00 0.89 H new ATOM 0 HD11 LEU A 30 13.974 -5.705 0.704 1.00 1.94 H new ATOM 0 HD12 LEU A 30 13.759 -3.983 1.098 1.00 1.94 H new ATOM 0 HD13 LEU A 30 12.540 -4.831 0.117 1.00 1.94 H new ATOM 0 HD21 LEU A 30 14.613 -6.439 -1.475 1.00 1.57 H new ATOM 0 HD22 LEU A 30 13.189 -5.660 -2.206 1.00 1.57 H new ATOM 0 HD23 LEU A 30 14.816 -5.304 -2.831 1.00 1.57 H new ATOM 438 N ARG A 31 13.283 -1.881 -4.325 1.00 0.67 N ATOM 439 CA ARG A 31 12.408 -1.071 -5.181 1.00 0.59 C ATOM 440 C ARG A 31 11.091 -1.792 -5.390 1.00 0.53 C ATOM 441 O ARG A 31 11.091 -2.896 -5.932 1.00 0.60 O ATOM 442 CB ARG A 31 13.091 -0.804 -6.526 1.00 0.59 C ATOM 443 CG ARG A 31 12.330 0.264 -7.333 1.00 0.65 C ATOM 444 CD ARG A 31 13.066 0.707 -8.601 1.00 0.68 C ATOM 445 NE ARG A 31 14.264 1.491 -8.276 1.00 1.15 N ATOM 446 CZ ARG A 31 15.153 1.999 -9.117 1.00 1.07 C ATOM 447 NH1 ARG A 31 15.053 1.835 -10.422 1.00 1.84 N ATOM 448 NH2 ARG A 31 16.163 2.685 -8.645 1.00 1.91 N ATOM 0 H ARG A 31 13.238 -2.879 -4.530 1.00 0.67 H new ATOM 0 HA ARG A 31 12.214 -0.114 -4.696 1.00 0.59 H new ATOM 0 HB2 ARG A 31 14.116 -0.475 -6.357 1.00 0.59 H new ATOM 0 HB3 ARG A 31 13.144 -1.729 -7.100 1.00 0.59 H new ATOM 0 HG2 ARG A 31 11.351 -0.128 -7.608 1.00 0.65 H new ATOM 0 HG3 ARG A 31 12.158 1.134 -6.699 1.00 0.65 H new ATOM 0 HD2 ARG A 31 13.349 -0.169 -9.184 1.00 0.68 H new ATOM 0 HD3 ARG A 31 12.397 1.302 -9.223 1.00 0.68 H new ATOM 0 HE ARG A 31 14.432 1.665 -7.285 1.00 1.15 H new ATOM 0 HH11 ARG A 31 14.274 1.304 -10.811 1.00 1.84 H new ATOM 0 HH12 ARG A 31 15.755 2.239 -11.042 1.00 1.84 H new ATOM 0 HH21 ARG A 31 16.260 2.824 -7.639 1.00 1.91 H new ATOM 0 HH22 ARG A 31 16.853 3.081 -9.283 1.00 1.91 H new ATOM 462 N LEU A 32 9.983 -1.197 -4.967 1.00 0.46 N ATOM 463 CA LEU A 32 8.658 -1.810 -4.955 1.00 0.46 C ATOM 464 C LEU A 32 7.847 -1.321 -6.156 1.00 0.45 C ATOM 465 O LEU A 32 7.450 -0.162 -6.189 1.00 0.47 O ATOM 466 CB LEU A 32 8.023 -1.441 -3.610 1.00 0.48 C ATOM 467 CG LEU A 32 6.653 -2.096 -3.356 1.00 0.55 C ATOM 468 CD1 LEU A 32 6.789 -3.609 -3.156 1.00 1.63 C ATOM 469 CD2 LEU A 32 6.029 -1.474 -2.103 1.00 1.67 C ATOM 0 H LEU A 32 9.980 -0.241 -4.610 1.00 0.46 H new ATOM 0 HA LEU A 32 8.699 -2.895 -5.048 1.00 0.46 H new ATOM 0 HB2 LEU A 32 8.704 -1.728 -2.809 1.00 0.48 H new ATOM 0 HB3 LEU A 32 7.910 -0.358 -3.560 1.00 0.48 H new ATOM 0 HG LEU A 32 6.019 -1.923 -4.226 1.00 0.55 H new ATOM 0 HD11 LEU A 32 5.805 -4.043 -2.979 1.00 1.63 H new ATOM 0 HD12 LEU A 32 7.227 -4.056 -4.048 1.00 1.63 H new ATOM 0 HD13 LEU A 32 7.432 -3.806 -2.298 1.00 1.63 H new ATOM 0 HD21 LEU A 32 5.058 -1.932 -1.915 1.00 1.67 H new ATOM 0 HD22 LEU A 32 6.683 -1.645 -1.248 1.00 1.67 H new ATOM 0 HD23 LEU A 32 5.902 -0.402 -2.254 1.00 1.67 H new ATOM 481 N VAL A 33 7.622 -2.201 -7.132 1.00 0.45 N ATOM 482 CA VAL A 33 6.979 -1.865 -8.421 1.00 0.46 C ATOM 483 C VAL A 33 5.522 -2.359 -8.480 1.00 0.48 C ATOM 484 O VAL A 33 4.748 -1.909 -9.320 1.00 0.51 O ATOM 485 CB VAL A 33 7.776 -2.432 -9.625 1.00 0.50 C ATOM 486 CG1 VAL A 33 9.250 -1.991 -9.601 1.00 0.45 C ATOM 487 CG2 VAL A 33 7.776 -3.972 -9.720 1.00 0.60 C ATOM 0 H VAL A 33 7.882 -3.184 -7.057 1.00 0.45 H new ATOM 0 HA VAL A 33 6.976 -0.777 -8.489 1.00 0.46 H new ATOM 0 HB VAL A 33 7.251 -2.023 -10.488 1.00 0.50 H new ATOM 0 HG11 VAL A 33 9.770 -2.411 -10.462 1.00 0.45 H new ATOM 0 HG12 VAL A 33 9.305 -0.903 -9.639 1.00 0.45 H new ATOM 0 HG13 VAL A 33 9.721 -2.346 -8.684 1.00 0.45 H new ATOM 0 HG21 VAL A 33 8.356 -4.283 -10.589 1.00 0.60 H new ATOM 0 HG22 VAL A 33 8.221 -4.392 -8.818 1.00 0.60 H new ATOM 0 HG23 VAL A 33 6.751 -4.330 -9.820 1.00 0.60 H new ATOM 497 N GLY A 34 5.150 -3.297 -7.598 1.00 0.48 N ATOM 498 CA GLY A 34 3.794 -3.819 -7.438 1.00 0.56 C ATOM 499 C GLY A 34 3.564 -4.419 -6.054 1.00 0.55 C ATOM 500 O GLY A 34 4.473 -4.484 -5.226 1.00 0.49 O ATOM 0 H GLY A 34 5.814 -3.727 -6.954 1.00 0.48 H new ATOM 0 HA2 GLY A 34 3.076 -3.017 -7.608 1.00 0.56 H new ATOM 0 HA3 GLY A 34 3.608 -4.579 -8.197 1.00 0.56 H new ATOM 504 N ALA A 35 2.354 -4.930 -5.851 1.00 0.70 N ATOM 505 CA ALA A 35 1.989 -5.805 -4.743 1.00 0.65 C ATOM 506 C ALA A 35 1.029 -6.901 -5.235 1.00 0.72 C ATOM 507 O ALA A 35 0.641 -6.908 -6.402 1.00 0.88 O ATOM 508 CB ALA A 35 1.395 -4.976 -3.593 1.00 0.64 C ATOM 0 H ALA A 35 1.572 -4.739 -6.477 1.00 0.70 H new ATOM 0 HA ALA A 35 2.878 -6.304 -4.356 1.00 0.65 H new ATOM 0 HB1 ALA A 35 1.125 -5.637 -2.770 1.00 0.64 H new ATOM 0 HB2 ALA A 35 2.132 -4.250 -3.249 1.00 0.64 H new ATOM 0 HB3 ALA A 35 0.506 -4.452 -3.944 1.00 0.64 H new ATOM 514 N ARG A 36 0.628 -7.809 -4.350 1.00 0.64 N ATOM 515 CA ARG A 36 -0.335 -8.887 -4.597 1.00 0.61 C ATOM 516 C ARG A 36 -0.928 -9.318 -3.248 1.00 0.49 C ATOM 517 O ARG A 36 -0.565 -8.760 -2.211 1.00 0.64 O ATOM 518 CB ARG A 36 0.349 -10.048 -5.365 1.00 0.81 C ATOM 519 CG ARG A 36 -0.111 -10.255 -6.810 1.00 1.54 C ATOM 520 CD ARG A 36 -1.562 -10.737 -6.928 1.00 2.72 C ATOM 521 NE ARG A 36 -1.923 -10.935 -8.342 1.00 3.52 N ATOM 522 CZ ARG A 36 -3.124 -10.737 -8.880 1.00 5.23 C ATOM 523 NH1 ARG A 36 -4.210 -10.525 -8.171 1.00 6.49 N ATOM 524 NH2 ARG A 36 -3.277 -10.737 -10.185 1.00 6.15 N ATOM 0 H ARG A 36 0.981 -7.817 -3.393 1.00 0.64 H new ATOM 0 HA ARG A 36 -1.154 -8.549 -5.232 1.00 0.61 H new ATOM 0 HB2 ARG A 36 1.425 -9.872 -5.368 1.00 0.81 H new ATOM 0 HB3 ARG A 36 0.179 -10.973 -4.814 1.00 0.81 H new ATOM 0 HG2 ARG A 36 -0.003 -9.317 -7.355 1.00 1.54 H new ATOM 0 HG3 ARG A 36 0.545 -10.981 -7.291 1.00 1.54 H new ATOM 0 HD2 ARG A 36 -1.688 -11.671 -6.380 1.00 2.72 H new ATOM 0 HD3 ARG A 36 -2.232 -10.008 -6.473 1.00 2.72 H new ATOM 0 HE ARG A 36 -1.183 -11.254 -8.968 1.00 3.52 H new ATOM 0 HH11 ARG A 36 -4.158 -10.506 -7.152 1.00 6.49 H new ATOM 0 HH12 ARG A 36 -5.104 -10.379 -8.639 1.00 6.49 H new ATOM 0 HH21 ARG A 36 -2.472 -10.889 -10.793 1.00 6.15 H new ATOM 0 HH22 ARG A 36 -4.201 -10.585 -10.590 1.00 6.15 H new ATOM 538 N THR A 37 -1.855 -10.279 -3.258 1.00 0.47 N ATOM 539 CA THR A 37 -2.550 -10.842 -2.088 1.00 0.56 C ATOM 540 C THR A 37 -3.575 -11.867 -2.550 1.00 0.60 C ATOM 541 O THR A 37 -4.120 -11.702 -3.648 1.00 0.52 O ATOM 542 CB THR A 37 -3.184 -9.755 -1.202 1.00 0.64 C ATOM 543 OG1 THR A 37 -3.997 -10.300 -0.202 1.00 0.85 O ATOM 544 CG2 THR A 37 -4.033 -8.730 -1.955 1.00 0.63 C ATOM 0 H THR A 37 -2.161 -10.712 -4.129 1.00 0.47 H new ATOM 0 HA THR A 37 -1.812 -11.341 -1.460 1.00 0.56 H new ATOM 0 HB THR A 37 -2.318 -9.246 -0.779 1.00 0.64 H new ATOM 0 HG1 THR A 37 -3.588 -10.141 0.674 1.00 0.85 H new ATOM 0 HG21 THR A 37 -4.438 -8.005 -1.250 1.00 0.63 H new ATOM 0 HG22 THR A 37 -3.415 -8.215 -2.690 1.00 0.63 H new ATOM 0 HG23 THR A 37 -4.852 -9.239 -2.463 1.00 0.63 H new ATOM 552 N PRO A 38 -3.900 -12.875 -1.717 1.00 0.77 N ATOM 553 CA PRO A 38 -4.989 -13.807 -1.993 1.00 0.77 C ATOM 554 C PRO A 38 -6.382 -13.167 -1.984 1.00 0.73 C ATOM 555 O PRO A 38 -7.338 -13.810 -2.407 1.00 0.79 O ATOM 556 CB PRO A 38 -4.856 -14.891 -0.925 1.00 0.89 C ATOM 557 CG PRO A 38 -4.113 -14.232 0.232 1.00 1.03 C ATOM 558 CD PRO A 38 -3.211 -13.226 -0.477 1.00 1.02 C ATOM 0 HA PRO A 38 -4.903 -14.199 -3.006 1.00 0.77 H new ATOM 0 HB2 PRO A 38 -5.834 -15.252 -0.608 1.00 0.89 H new ATOM 0 HB3 PRO A 38 -4.306 -15.752 -1.305 1.00 0.89 H new ATOM 0 HG2 PRO A 38 -4.797 -13.744 0.926 1.00 1.03 H new ATOM 0 HG3 PRO A 38 -3.537 -14.956 0.808 1.00 1.03 H new ATOM 0 HD2 PRO A 38 -3.047 -12.344 0.142 1.00 1.02 H new ATOM 0 HD3 PRO A 38 -2.231 -13.657 -0.683 1.00 1.02 H new ATOM 566 N VAL A 39 -6.508 -11.917 -1.529 1.00 0.68 N ATOM 567 CA VAL A 39 -7.787 -11.168 -1.518 1.00 0.69 C ATOM 568 C VAL A 39 -7.776 -9.915 -2.406 1.00 0.65 C ATOM 569 O VAL A 39 -8.362 -8.892 -2.064 1.00 0.69 O ATOM 570 CB VAL A 39 -8.292 -10.877 -0.087 1.00 0.76 C ATOM 571 CG1 VAL A 39 -8.653 -12.181 0.640 1.00 0.86 C ATOM 572 CG2 VAL A 39 -7.282 -10.089 0.752 1.00 0.81 C ATOM 0 H VAL A 39 -5.724 -11.384 -1.153 1.00 0.68 H new ATOM 0 HA VAL A 39 -8.516 -11.837 -1.975 1.00 0.69 H new ATOM 0 HB VAL A 39 -9.182 -10.258 -0.200 1.00 0.76 H new ATOM 0 HG11 VAL A 39 -9.006 -11.951 1.645 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -9.438 -12.699 0.089 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -7.771 -12.819 0.702 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -7.692 -9.915 1.747 1.00 0.81 H new ATOM 0 HG22 VAL A 39 -6.356 -10.658 0.836 1.00 0.81 H new ATOM 0 HG23 VAL A 39 -7.077 -9.132 0.271 1.00 0.81 H new ATOM 582 N ALA A 40 -7.187 -10.010 -3.602 1.00 0.65 N ATOM 583 CA ALA A 40 -7.417 -9.049 -4.690 1.00 0.60 C ATOM 584 C ALA A 40 -7.199 -9.710 -6.059 1.00 0.66 C ATOM 585 O ALA A 40 -6.305 -10.539 -6.221 1.00 1.01 O ATOM 586 CB ALA A 40 -6.486 -7.842 -4.518 1.00 0.67 C ATOM 0 H ALA A 40 -6.536 -10.756 -3.845 1.00 0.65 H new ATOM 0 HA ALA A 40 -8.452 -8.709 -4.645 1.00 0.60 H new ATOM 0 HB1 ALA A 40 -6.659 -7.131 -5.326 1.00 0.67 H new ATOM 0 HB2 ALA A 40 -6.688 -7.360 -3.561 1.00 0.67 H new ATOM 0 HB3 ALA A 40 -5.449 -8.176 -4.544 1.00 0.67 H new ATOM 592 N GLU A 41 -7.983 -9.313 -7.060 1.00 0.56 N ATOM 593 CA GLU A 41 -7.921 -9.825 -8.433 1.00 0.71 C ATOM 594 C GLU A 41 -7.013 -8.956 -9.316 1.00 0.75 C ATOM 595 O GLU A 41 -6.117 -9.486 -9.984 1.00 0.97 O ATOM 596 CB GLU A 41 -9.349 -9.849 -8.980 1.00 0.92 C ATOM 597 CG GLU A 41 -9.497 -10.558 -10.325 1.00 1.16 C ATOM 598 CD GLU A 41 -10.967 -10.522 -10.715 1.00 2.39 C ATOM 599 OE1 GLU A 41 -11.745 -11.237 -10.051 1.00 3.00 O ATOM 600 OE2 GLU A 41 -11.319 -9.690 -11.581 1.00 3.71 O ATOM 0 H GLU A 41 -8.704 -8.602 -6.936 1.00 0.56 H new ATOM 0 HA GLU A 41 -7.492 -10.827 -8.437 1.00 0.71 H new ATOM 0 HB2 GLU A 41 -9.996 -10.338 -8.252 1.00 0.92 H new ATOM 0 HB3 GLU A 41 -9.703 -8.823 -9.083 1.00 0.92 H new ATOM 0 HG2 GLU A 41 -8.889 -10.066 -11.084 1.00 1.16 H new ATOM 0 HG3 GLU A 41 -9.147 -11.588 -10.254 1.00 1.16 H new ATOM 607 N ARG A 42 -7.196 -7.627 -9.251 1.00 0.73 N ATOM 608 CA ARG A 42 -6.316 -6.606 -9.807 1.00 0.84 C ATOM 609 C ARG A 42 -5.779 -5.768 -8.639 1.00 0.80 C ATOM 610 O ARG A 42 -6.339 -5.771 -7.542 1.00 0.87 O ATOM 611 CB ARG A 42 -7.025 -5.704 -10.847 1.00 1.08 C ATOM 612 CG ARG A 42 -8.095 -6.376 -11.730 1.00 1.72 C ATOM 613 CD ARG A 42 -9.495 -6.283 -11.104 1.00 3.07 C ATOM 614 NE ARG A 42 -10.486 -7.096 -11.829 1.00 4.49 N ATOM 615 CZ ARG A 42 -11.289 -6.756 -12.826 1.00 5.50 C ATOM 616 NH1 ARG A 42 -11.259 -5.562 -13.379 1.00 5.45 N ATOM 617 NH2 ARG A 42 -12.135 -7.661 -13.266 1.00 6.96 N ATOM 0 H ARG A 42 -8.007 -7.223 -8.783 1.00 0.73 H new ATOM 0 HA ARG A 42 -5.504 -7.095 -10.345 1.00 0.84 H new ATOM 0 HB2 ARG A 42 -7.493 -4.875 -10.316 1.00 1.08 H new ATOM 0 HB3 ARG A 42 -6.265 -5.275 -11.500 1.00 1.08 H new ATOM 0 HG2 ARG A 42 -8.104 -5.903 -12.712 1.00 1.72 H new ATOM 0 HG3 ARG A 42 -7.834 -7.423 -11.883 1.00 1.72 H new ATOM 0 HD2 ARG A 42 -9.449 -6.611 -10.066 1.00 3.07 H new ATOM 0 HD3 ARG A 42 -9.818 -5.242 -11.095 1.00 3.07 H new ATOM 0 HE ARG A 42 -10.566 -8.064 -11.517 1.00 4.49 H new ATOM 0 HH11 ARG A 42 -10.601 -4.860 -13.041 1.00 5.45 H new ATOM 0 HH12 ARG A 42 -11.894 -5.339 -14.145 1.00 5.45 H new ATOM 0 HH21 ARG A 42 -12.157 -8.588 -12.841 1.00 6.96 H new ATOM 0 HH22 ARG A 42 -12.769 -7.436 -14.032 1.00 6.96 H new ATOM 631 N VAL A 43 -4.693 -5.061 -8.891 1.00 1.07 N ATOM 632 CA VAL A 43 -3.911 -4.294 -7.912 1.00 0.96 C ATOM 633 C VAL A 43 -3.190 -3.152 -8.635 1.00 1.02 C ATOM 634 O VAL A 43 -2.692 -3.363 -9.741 1.00 1.41 O ATOM 635 CB VAL A 43 -2.918 -5.215 -7.163 1.00 1.12 C ATOM 636 CG1 VAL A 43 -1.872 -5.875 -8.085 1.00 1.48 C ATOM 637 CG2 VAL A 43 -2.229 -4.509 -5.985 1.00 1.20 C ATOM 0 H VAL A 43 -4.304 -4.997 -9.832 1.00 1.07 H new ATOM 0 HA VAL A 43 -4.576 -3.868 -7.161 1.00 0.96 H new ATOM 0 HB VAL A 43 -3.538 -6.016 -6.760 1.00 1.12 H new ATOM 0 HG11 VAL A 43 -1.210 -6.506 -7.491 1.00 1.48 H new ATOM 0 HG12 VAL A 43 -2.379 -6.484 -8.833 1.00 1.48 H new ATOM 0 HG13 VAL A 43 -1.286 -5.102 -8.583 1.00 1.48 H new ATOM 0 HG21 VAL A 43 -1.544 -5.202 -5.496 1.00 1.20 H new ATOM 0 HG22 VAL A 43 -1.673 -3.647 -6.353 1.00 1.20 H new ATOM 0 HG23 VAL A 43 -2.981 -4.177 -5.269 1.00 1.20 H new ATOM 647 N GLU A 44 -3.162 -1.968 -8.026 1.00 0.74 N ATOM 648 CA GLU A 44 -2.564 -0.738 -8.562 1.00 0.67 C ATOM 649 C GLU A 44 -1.730 -0.053 -7.482 1.00 0.58 C ATOM 650 O GLU A 44 -2.115 -0.058 -6.314 1.00 0.68 O ATOM 651 CB GLU A 44 -3.654 0.264 -8.966 1.00 0.74 C ATOM 652 CG GLU A 44 -4.463 -0.140 -10.200 1.00 1.26 C ATOM 653 CD GLU A 44 -5.695 0.755 -10.342 1.00 2.12 C ATOM 654 OE1 GLU A 44 -5.539 1.988 -10.193 1.00 3.05 O ATOM 655 OE2 GLU A 44 -6.791 0.196 -10.550 1.00 2.90 O ATOM 0 H GLU A 44 -3.573 -1.829 -7.103 1.00 0.74 H new ATOM 0 HA GLU A 44 -1.957 -1.019 -9.422 1.00 0.67 H new ATOM 0 HB2 GLU A 44 -4.337 0.396 -8.127 1.00 0.74 H new ATOM 0 HB3 GLU A 44 -3.189 1.232 -9.153 1.00 0.74 H new ATOM 0 HG2 GLU A 44 -3.842 -0.060 -11.092 1.00 1.26 H new ATOM 0 HG3 GLU A 44 -4.770 -1.183 -10.117 1.00 1.26 H new ATOM 662 N LEU A 45 -0.623 0.588 -7.871 1.00 0.67 N ATOM 663 CA LEU A 45 0.239 1.366 -6.973 1.00 0.72 C ATOM 664 C LEU A 45 -0.032 2.866 -7.124 1.00 0.61 C ATOM 665 O LEU A 45 0.138 3.438 -8.202 1.00 0.60 O ATOM 666 CB LEU A 45 1.700 1.006 -7.273 1.00 1.07 C ATOM 667 CG LEU A 45 2.743 1.818 -6.477 1.00 0.60 C ATOM 668 CD1 LEU A 45 2.547 1.850 -4.956 1.00 0.91 C ATOM 669 CD2 LEU A 45 4.119 1.215 -6.759 1.00 1.03 C ATOM 0 H LEU A 45 -0.294 0.581 -8.837 1.00 0.67 H new ATOM 0 HA LEU A 45 0.023 1.120 -5.933 1.00 0.72 H new ATOM 0 HB2 LEU A 45 1.849 -0.053 -7.064 1.00 1.07 H new ATOM 0 HB3 LEU A 45 1.884 1.150 -8.338 1.00 1.07 H new ATOM 0 HG LEU A 45 2.632 2.850 -6.811 1.00 0.60 H new ATOM 0 HD11 LEU A 45 3.336 2.448 -4.500 1.00 0.91 H new ATOM 0 HD12 LEU A 45 1.577 2.290 -4.723 1.00 0.91 H new ATOM 0 HD13 LEU A 45 2.588 0.834 -4.562 1.00 0.91 H new ATOM 0 HD21 LEU A 45 4.879 1.770 -6.209 1.00 1.03 H new ATOM 0 HD22 LEU A 45 4.131 0.172 -6.443 1.00 1.03 H new ATOM 0 HD23 LEU A 45 4.330 1.273 -7.827 1.00 1.03 H new ATOM 681 N HIS A 46 -0.438 3.508 -6.029 1.00 0.59 N ATOM 682 CA HIS A 46 -0.861 4.904 -5.957 1.00 0.51 C ATOM 683 C HIS A 46 -0.061 5.740 -4.942 1.00 0.50 C ATOM 684 O HIS A 46 0.420 5.261 -3.913 1.00 0.56 O ATOM 685 CB HIS A 46 -2.346 4.949 -5.549 1.00 0.52 C ATOM 686 CG HIS A 46 -3.389 4.445 -6.516 1.00 0.51 C ATOM 687 ND1 HIS A 46 -4.745 4.369 -6.225 1.00 0.51 N ATOM 688 CD2 HIS A 46 -3.215 3.976 -7.786 1.00 0.54 C ATOM 689 CE1 HIS A 46 -5.358 3.881 -7.306 1.00 0.55 C ATOM 690 NE2 HIS A 46 -4.463 3.630 -8.269 1.00 0.58 N ATOM 0 H HIS A 46 -0.483 3.043 -5.122 1.00 0.59 H new ATOM 0 HA HIS A 46 -0.687 5.336 -6.943 1.00 0.51 H new ATOM 0 HB2 HIS A 46 -2.451 4.378 -4.626 1.00 0.52 H new ATOM 0 HB3 HIS A 46 -2.590 5.985 -5.313 1.00 0.52 H new ATOM 0 HD2 HIS A 46 -2.277 3.891 -8.315 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -6.421 3.713 -7.391 1.00 0.55 H new ATOM 0 HE2 HIS A 46 -4.666 3.251 -9.194 1.00 0.58 H new ATOM 698 N GLU A 47 -0.045 7.042 -5.203 1.00 0.46 N ATOM 699 CA GLU A 47 0.182 8.093 -4.213 1.00 0.44 C ATOM 700 C GLU A 47 -1.140 8.741 -3.757 1.00 0.50 C ATOM 701 O GLU A 47 -2.156 8.668 -4.461 1.00 0.69 O ATOM 702 CB GLU A 47 1.177 9.124 -4.768 1.00 0.49 C ATOM 703 CG GLU A 47 0.570 10.127 -5.751 1.00 0.69 C ATOM 704 CD GLU A 47 1.549 11.205 -6.204 1.00 1.16 C ATOM 705 OE1 GLU A 47 2.701 10.897 -6.581 1.00 2.47 O ATOM 706 OE2 GLU A 47 1.101 12.365 -6.333 1.00 1.89 O ATOM 0 H GLU A 47 -0.195 7.410 -6.142 1.00 0.46 H new ATOM 0 HA GLU A 47 0.621 7.646 -3.321 1.00 0.44 H new ATOM 0 HB2 GLU A 47 1.616 9.672 -3.934 1.00 0.49 H new ATOM 0 HB3 GLU A 47 1.990 8.595 -5.265 1.00 0.49 H new ATOM 0 HG2 GLU A 47 0.203 9.590 -6.626 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -0.293 10.604 -5.285 1.00 0.69 H new ATOM 713 N THR A 48 -1.091 9.443 -2.620 1.00 0.58 N ATOM 714 CA THR A 48 -2.086 10.425 -2.163 1.00 0.54 C ATOM 715 C THR A 48 -1.342 11.746 -1.980 1.00 0.54 C ATOM 716 O THR A 48 -0.245 11.734 -1.426 1.00 0.59 O ATOM 717 CB THR A 48 -2.709 9.958 -0.840 1.00 0.56 C ATOM 718 OG1 THR A 48 -3.595 8.909 -1.152 1.00 0.68 O ATOM 719 CG2 THR A 48 -3.536 11.018 -0.115 1.00 0.61 C ATOM 0 H THR A 48 -0.320 9.338 -1.960 1.00 0.58 H new ATOM 0 HA THR A 48 -2.898 10.539 -2.882 1.00 0.54 H new ATOM 0 HB THR A 48 -1.883 9.685 -0.183 1.00 0.56 H new ATOM 0 HG1 THR A 48 -4.015 8.580 -0.330 1.00 0.68 H new ATOM 0 HG21 THR A 48 -3.936 10.599 0.808 1.00 0.61 H new ATOM 0 HG22 THR A 48 -2.904 11.875 0.120 1.00 0.61 H new ATOM 0 HG23 THR A 48 -4.359 11.338 -0.755 1.00 0.61 H new ATOM 727 N PHE A 49 -1.932 12.860 -2.427 1.00 0.60 N ATOM 728 CA PHE A 49 -1.320 14.195 -2.426 1.00 0.65 C ATOM 729 C PHE A 49 -2.273 15.290 -1.916 1.00 0.64 C ATOM 730 O PHE A 49 -3.460 15.059 -1.691 1.00 0.67 O ATOM 731 CB PHE A 49 -0.816 14.535 -3.846 1.00 0.70 C ATOM 732 CG PHE A 49 -1.888 14.674 -4.924 1.00 0.66 C ATOM 733 CD1 PHE A 49 -2.620 15.873 -5.016 1.00 1.78 C ATOM 734 CD2 PHE A 49 -2.147 13.640 -5.851 1.00 1.81 C ATOM 735 CE1 PHE A 49 -3.626 16.034 -5.977 1.00 1.92 C ATOM 736 CE2 PHE A 49 -3.136 13.811 -6.838 1.00 1.75 C ATOM 737 CZ PHE A 49 -3.879 15.005 -6.901 1.00 0.86 C ATOM 0 H PHE A 49 -2.877 12.858 -2.811 1.00 0.60 H new ATOM 0 HA PHE A 49 -0.481 14.168 -1.731 1.00 0.65 H new ATOM 0 HB2 PHE A 49 -0.256 15.469 -3.797 1.00 0.70 H new ATOM 0 HB3 PHE A 49 -0.116 13.759 -4.156 1.00 0.70 H new ATOM 0 HD1 PHE A 49 -2.402 16.682 -4.334 1.00 1.78 H new ATOM 0 HD2 PHE A 49 -1.586 12.718 -5.802 1.00 1.81 H new ATOM 0 HE1 PHE A 49 -4.205 16.945 -6.008 1.00 1.92 H new ATOM 0 HE2 PHE A 49 -3.326 13.022 -7.551 1.00 1.75 H new ATOM 0 HZ PHE A 49 -4.641 15.130 -7.656 1.00 0.86 H new ATOM 747 N MET A 50 -1.762 16.523 -1.810 1.00 0.72 N ATOM 748 CA MET A 50 -2.545 17.741 -1.604 1.00 0.77 C ATOM 749 C MET A 50 -2.297 18.801 -2.689 1.00 0.65 C ATOM 750 O MET A 50 -1.195 18.922 -3.217 1.00 0.71 O ATOM 751 CB MET A 50 -2.287 18.302 -0.207 1.00 1.08 C ATOM 752 CG MET A 50 -0.865 18.799 0.074 1.00 2.05 C ATOM 753 SD MET A 50 -0.783 19.816 1.569 1.00 2.21 S ATOM 754 CE MET A 50 -1.118 21.445 0.847 1.00 3.20 C ATOM 0 H MET A 50 -0.760 16.703 -1.868 1.00 0.72 H new ATOM 0 HA MET A 50 -3.597 17.469 -1.686 1.00 0.77 H new ATOM 0 HB2 MET A 50 -2.978 19.128 -0.037 1.00 1.08 H new ATOM 0 HB3 MET A 50 -2.529 17.529 0.522 1.00 1.08 H new ATOM 0 HG2 MET A 50 -0.197 17.944 0.180 1.00 2.05 H new ATOM 0 HG3 MET A 50 -0.509 19.378 -0.778 1.00 2.05 H new ATOM 0 HE1 MET A 50 -1.106 22.201 1.632 1.00 3.20 H new ATOM 0 HE2 MET A 50 -0.353 21.679 0.106 1.00 3.20 H new ATOM 0 HE3 MET A 50 -2.097 21.436 0.367 1.00 3.20 H new ATOM 764 N ARG A 51 -3.346 19.557 -3.021 1.00 0.66 N ATOM 765 CA ARG A 51 -3.395 20.583 -4.069 1.00 0.68 C ATOM 766 C ARG A 51 -4.350 21.718 -3.655 1.00 0.75 C ATOM 767 O ARG A 51 -5.433 21.468 -3.122 1.00 0.80 O ATOM 768 CB ARG A 51 -3.822 19.957 -5.411 1.00 0.81 C ATOM 769 CG ARG A 51 -2.628 19.493 -6.287 1.00 1.41 C ATOM 770 CD ARG A 51 -2.385 20.317 -7.561 1.00 2.33 C ATOM 771 NE ARG A 51 -1.973 21.700 -7.261 1.00 3.58 N ATOM 772 CZ ARG A 51 -2.776 22.757 -7.202 1.00 4.43 C ATOM 773 NH1 ARG A 51 -4.046 22.709 -7.541 1.00 4.26 N ATOM 774 NH2 ARG A 51 -2.336 23.914 -6.760 1.00 6.09 N ATOM 0 H ARG A 51 -4.239 19.465 -2.537 1.00 0.66 H new ATOM 0 HA ARG A 51 -2.399 21.008 -4.198 1.00 0.68 H new ATOM 0 HB2 ARG A 51 -4.471 19.104 -5.214 1.00 0.81 H new ATOM 0 HB3 ARG A 51 -4.412 20.684 -5.970 1.00 0.81 H new ATOM 0 HG2 ARG A 51 -1.723 19.518 -5.680 1.00 1.41 H new ATOM 0 HG3 ARG A 51 -2.791 18.454 -6.573 1.00 1.41 H new ATOM 0 HD2 ARG A 51 -1.616 19.833 -8.163 1.00 2.33 H new ATOM 0 HD3 ARG A 51 -3.295 20.333 -8.160 1.00 2.33 H new ATOM 0 HE ARG A 51 -0.982 21.860 -7.083 1.00 3.58 H new ATOM 0 HH11 ARG A 51 -4.454 21.833 -7.866 1.00 4.26 H new ATOM 0 HH12 ARG A 51 -4.623 23.548 -7.478 1.00 4.26 H new ATOM 0 HH21 ARG A 51 -1.367 24.009 -6.457 1.00 6.09 H new ATOM 0 HH22 ARG A 51 -2.964 24.717 -6.720 1.00 6.09 H new ATOM 788 N GLU A 52 -3.958 22.962 -3.922 1.00 1.08 N ATOM 789 CA GLU A 52 -4.755 24.144 -3.696 1.00 1.34 C ATOM 790 C GLU A 52 -5.498 24.549 -4.968 1.00 1.51 C ATOM 791 O GLU A 52 -4.863 24.784 -5.996 1.00 1.91 O ATOM 792 CB GLU A 52 -3.788 25.247 -3.254 1.00 1.78 C ATOM 793 CG GLU A 52 -4.492 26.184 -2.293 1.00 2.32 C ATOM 794 CD GLU A 52 -4.855 25.518 -0.964 1.00 2.51 C ATOM 795 OE1 GLU A 52 -4.361 24.397 -0.699 1.00 3.41 O ATOM 796 OE2 GLU A 52 -5.732 26.087 -0.281 1.00 2.72 O ATOM 0 H GLU A 52 -3.041 23.172 -4.316 1.00 1.08 H new ATOM 0 HA GLU A 52 -5.513 23.963 -2.934 1.00 1.34 H new ATOM 0 HB2 GLU A 52 -2.913 24.807 -2.774 1.00 1.78 H new ATOM 0 HB3 GLU A 52 -3.431 25.801 -4.122 1.00 1.78 H new ATOM 0 HG2 GLU A 52 -3.851 27.044 -2.099 1.00 2.32 H new ATOM 0 HG3 GLU A 52 -5.400 26.562 -2.763 1.00 2.32 H new ATOM 803 N VAL A 53 -6.824 24.620 -4.906 1.00 1.40 N ATOM 804 CA VAL A 53 -7.658 25.148 -5.999 1.00 1.57 C ATOM 805 C VAL A 53 -7.800 26.663 -5.797 1.00 2.00 C ATOM 806 O VAL A 53 -6.781 27.345 -5.724 1.00 3.33 O ATOM 807 CB VAL A 53 -8.955 24.314 -6.189 1.00 1.87 C ATOM 808 CG1 VAL A 53 -8.592 22.941 -6.788 1.00 2.21 C ATOM 809 CG2 VAL A 53 -9.769 24.085 -4.905 1.00 3.57 C ATOM 0 H VAL A 53 -7.361 24.313 -4.095 1.00 1.40 H new ATOM 0 HA VAL A 53 -7.189 25.029 -6.976 1.00 1.57 H new ATOM 0 HB VAL A 53 -9.587 24.902 -6.854 1.00 1.87 H new ATOM 0 HG11 VAL A 53 -9.499 22.352 -6.923 1.00 2.21 H new ATOM 0 HG12 VAL A 53 -8.104 23.082 -7.752 1.00 2.21 H new ATOM 0 HG13 VAL A 53 -7.916 22.417 -6.113 1.00 2.21 H new ATOM 0 HG21 VAL A 53 -10.655 23.494 -5.136 1.00 3.57 H new ATOM 0 HG22 VAL A 53 -9.158 23.552 -4.177 1.00 3.57 H new ATOM 0 HG23 VAL A 53 -10.072 25.046 -4.490 1.00 3.57 H new ATOM 819 N GLU A 54 -9.022 27.169 -5.655 1.00 2.17 N ATOM 820 CA GLU A 54 -9.453 28.557 -5.358 1.00 2.38 C ATOM 821 C GLU A 54 -8.893 29.192 -4.051 1.00 2.43 C ATOM 822 O GLU A 54 -9.625 29.828 -3.281 1.00 2.71 O ATOM 823 CB GLU A 54 -10.997 28.584 -5.303 1.00 2.50 C ATOM 824 CG GLU A 54 -11.765 27.806 -6.381 1.00 2.50 C ATOM 825 CD GLU A 54 -11.060 27.871 -7.727 1.00 3.17 C ATOM 826 OE1 GLU A 54 -11.006 28.979 -8.294 1.00 4.35 O ATOM 827 OE2 GLU A 54 -10.500 26.815 -8.092 1.00 4.12 O ATOM 0 H GLU A 54 -9.834 26.559 -5.754 1.00 2.17 H new ATOM 0 HA GLU A 54 -9.037 29.165 -6.162 1.00 2.38 H new ATOM 0 HB2 GLU A 54 -11.304 28.200 -4.330 1.00 2.50 H new ATOM 0 HB3 GLU A 54 -11.316 29.625 -5.350 1.00 2.50 H new ATOM 0 HG2 GLU A 54 -11.870 26.765 -6.074 1.00 2.50 H new ATOM 0 HG3 GLU A 54 -12.772 28.213 -6.477 1.00 2.50 H new ATOM 834 N GLY A 55 -7.634 28.932 -3.687 1.00 2.27 N ATOM 835 CA GLY A 55 -7.095 29.183 -2.344 1.00 2.36 C ATOM 836 C GLY A 55 -7.777 28.307 -1.294 1.00 2.13 C ATOM 837 O GLY A 55 -7.890 28.708 -0.138 1.00 2.24 O ATOM 0 H GLY A 55 -6.947 28.534 -4.328 1.00 2.27 H new ATOM 0 HA2 GLY A 55 -6.022 28.990 -2.339 1.00 2.36 H new ATOM 0 HA3 GLY A 55 -7.231 30.233 -2.087 1.00 2.36 H new ATOM 841 N LYS A 56 -8.367 27.189 -1.735 1.00 1.84 N ATOM 842 CA LYS A 56 -8.982 26.149 -0.922 1.00 1.69 C ATOM 843 C LYS A 56 -8.200 24.843 -1.138 1.00 1.43 C ATOM 844 O LYS A 56 -7.948 24.417 -2.273 1.00 1.27 O ATOM 845 CB LYS A 56 -10.465 25.919 -1.296 1.00 1.68 C ATOM 846 CG LYS A 56 -11.387 27.131 -1.530 1.00 1.83 C ATOM 847 CD LYS A 56 -11.872 27.902 -0.293 1.00 3.44 C ATOM 848 CE LYS A 56 -10.833 28.864 0.294 1.00 5.42 C ATOM 849 NZ LYS A 56 -10.452 29.944 -0.654 1.00 6.61 N ATOM 0 H LYS A 56 -8.428 26.980 -2.731 1.00 1.84 H new ATOM 0 HA LYS A 56 -8.951 26.464 0.121 1.00 1.69 H new ATOM 0 HB2 LYS A 56 -10.483 25.316 -2.204 1.00 1.68 H new ATOM 0 HB3 LYS A 56 -10.912 25.317 -0.504 1.00 1.68 H new ATOM 0 HG2 LYS A 56 -10.863 27.832 -2.179 1.00 1.83 H new ATOM 0 HG3 LYS A 56 -12.265 26.786 -2.077 1.00 1.83 H new ATOM 0 HD2 LYS A 56 -12.765 28.467 -0.558 1.00 3.44 H new ATOM 0 HD3 LYS A 56 -12.164 27.187 0.476 1.00 3.44 H new ATOM 0 HE2 LYS A 56 -11.231 29.310 1.206 1.00 5.42 H new ATOM 0 HE3 LYS A 56 -9.942 28.303 0.576 1.00 5.42 H new ATOM 0 HZ1 LYS A 56 -9.699 30.525 -0.234 1.00 6.61 H new ATOM 0 HZ2 LYS A 56 -10.110 29.523 -1.541 1.00 6.61 H new ATOM 0 HZ3 LYS A 56 -11.280 30.541 -0.851 1.00 6.61 H new ATOM 863 N LYS A 57 -7.863 24.182 -0.040 1.00 1.46 N ATOM 864 CA LYS A 57 -7.043 22.986 -0.009 1.00 1.29 C ATOM 865 C LYS A 57 -7.892 21.739 -0.251 1.00 1.09 C ATOM 866 O LYS A 57 -8.909 21.522 0.413 1.00 1.23 O ATOM 867 CB LYS A 57 -6.257 22.986 1.320 1.00 1.54 C ATOM 868 CG LYS A 57 -7.092 22.706 2.585 1.00 2.86 C ATOM 869 CD LYS A 57 -6.971 21.233 2.990 1.00 4.78 C ATOM 870 CE LYS A 57 -8.218 20.696 3.704 1.00 6.75 C ATOM 871 NZ LYS A 57 -9.127 20.021 2.745 1.00 8.31 N ATOM 0 H LYS A 57 -8.166 24.478 0.888 1.00 1.46 H new ATOM 0 HA LYS A 57 -6.314 22.976 -0.820 1.00 1.29 H new ATOM 0 HB2 LYS A 57 -5.467 22.238 1.255 1.00 1.54 H new ATOM 0 HB3 LYS A 57 -5.770 23.955 1.434 1.00 1.54 H new ATOM 0 HG2 LYS A 57 -6.752 23.343 3.401 1.00 2.86 H new ATOM 0 HG3 LYS A 57 -8.137 22.954 2.401 1.00 2.86 H new ATOM 0 HD2 LYS A 57 -6.784 20.633 2.100 1.00 4.78 H new ATOM 0 HD3 LYS A 57 -6.107 21.113 3.643 1.00 4.78 H new ATOM 0 HE2 LYS A 57 -7.922 19.996 4.485 1.00 6.75 H new ATOM 0 HE3 LYS A 57 -8.743 21.516 4.194 1.00 6.75 H new ATOM 0 HZ1 LYS A 57 -10.061 19.893 3.184 1.00 8.31 H new ATOM 0 HZ2 LYS A 57 -9.223 20.604 1.889 1.00 8.31 H new ATOM 0 HZ3 LYS A 57 -8.734 19.093 2.489 1.00 8.31 H new ATOM 885 N VAL A 58 -7.441 20.878 -1.146 1.00 0.93 N ATOM 886 CA VAL A 58 -8.068 19.583 -1.440 1.00 0.88 C ATOM 887 C VAL A 58 -7.010 18.513 -1.665 1.00 0.79 C ATOM 888 O VAL A 58 -5.881 18.796 -2.053 1.00 0.93 O ATOM 889 CB VAL A 58 -9.083 19.699 -2.609 1.00 0.92 C ATOM 890 CG1 VAL A 58 -8.425 20.097 -3.942 1.00 2.05 C ATOM 891 CG2 VAL A 58 -9.918 18.421 -2.792 1.00 2.45 C ATOM 0 H VAL A 58 -6.608 21.056 -1.707 1.00 0.93 H new ATOM 0 HA VAL A 58 -8.648 19.269 -0.572 1.00 0.88 H new ATOM 0 HB VAL A 58 -9.755 20.507 -2.319 1.00 0.92 H new ATOM 0 HG11 VAL A 58 -9.187 20.161 -4.719 1.00 2.05 H new ATOM 0 HG12 VAL A 58 -7.936 21.065 -3.832 1.00 2.05 H new ATOM 0 HG13 VAL A 58 -7.685 19.347 -4.221 1.00 2.05 H new ATOM 0 HG21 VAL A 58 -10.612 18.555 -3.622 1.00 2.45 H new ATOM 0 HG22 VAL A 58 -9.256 17.581 -3.004 1.00 2.45 H new ATOM 0 HG23 VAL A 58 -10.479 18.219 -1.879 1.00 2.45 H new ATOM 901 N MET A 59 -7.374 17.279 -1.339 1.00 0.74 N ATOM 902 CA MET A 59 -6.494 16.121 -1.373 1.00 0.72 C ATOM 903 C MET A 59 -6.917 15.169 -2.485 1.00 0.80 C ATOM 904 O MET A 59 -8.107 14.943 -2.690 1.00 1.20 O ATOM 905 CB MET A 59 -6.464 15.442 0.001 1.00 0.76 C ATOM 906 CG MET A 59 -5.677 16.297 1.005 1.00 0.78 C ATOM 907 SD MET A 59 -6.482 17.744 1.748 1.00 2.28 S ATOM 908 CE MET A 59 -4.979 18.504 2.424 1.00 2.94 C ATOM 0 H MET A 59 -8.320 17.051 -1.034 1.00 0.74 H new ATOM 0 HA MET A 59 -5.477 16.441 -1.597 1.00 0.72 H new ATOM 0 HB2 MET A 59 -7.482 15.291 0.361 1.00 0.76 H new ATOM 0 HB3 MET A 59 -6.007 14.456 -0.084 1.00 0.76 H new ATOM 0 HG2 MET A 59 -5.361 15.643 1.817 1.00 0.78 H new ATOM 0 HG3 MET A 59 -4.773 16.644 0.505 1.00 0.78 H new ATOM 0 HE1 MET A 59 -5.208 18.975 3.380 1.00 2.94 H new ATOM 0 HE2 MET A 59 -4.218 17.738 2.570 1.00 2.94 H new ATOM 0 HE3 MET A 59 -4.607 19.256 1.728 1.00 2.94 H new ATOM 918 N GLY A 60 -5.932 14.657 -3.217 1.00 0.55 N ATOM 919 CA GLY A 60 -6.116 13.820 -4.400 1.00 0.57 C ATOM 920 C GLY A 60 -5.303 12.537 -4.330 1.00 0.50 C ATOM 921 O GLY A 60 -4.662 12.228 -3.328 1.00 0.57 O ATOM 0 H GLY A 60 -4.949 14.819 -2.996 1.00 0.55 H new ATOM 0 HA2 GLY A 60 -7.172 13.573 -4.507 1.00 0.57 H new ATOM 0 HA3 GLY A 60 -5.828 14.382 -5.289 1.00 0.57 H new ATOM 925 N MET A 61 -5.365 11.755 -5.402 1.00 0.46 N ATOM 926 CA MET A 61 -4.719 10.451 -5.531 1.00 0.44 C ATOM 927 C MET A 61 -4.435 10.183 -7.008 1.00 0.43 C ATOM 928 O MET A 61 -5.200 10.615 -7.868 1.00 0.49 O ATOM 929 CB MET A 61 -5.665 9.421 -4.901 1.00 0.55 C ATOM 930 CG MET A 61 -5.355 7.948 -5.185 1.00 0.56 C ATOM 931 SD MET A 61 -6.652 6.756 -4.708 1.00 0.54 S ATOM 932 CE MET A 61 -7.402 7.549 -3.260 1.00 0.63 C ATOM 0 H MET A 61 -5.886 12.021 -6.238 1.00 0.46 H new ATOM 0 HA MET A 61 -3.759 10.401 -5.017 1.00 0.44 H new ATOM 0 HB2 MET A 61 -5.661 9.569 -3.821 1.00 0.55 H new ATOM 0 HB3 MET A 61 -6.677 9.630 -5.247 1.00 0.55 H new ATOM 0 HG2 MET A 61 -5.160 7.837 -6.252 1.00 0.56 H new ATOM 0 HG3 MET A 61 -4.435 7.683 -4.664 1.00 0.56 H new ATOM 0 HE1 MET A 61 -8.080 6.849 -2.772 1.00 0.63 H new ATOM 0 HE2 MET A 61 -6.620 7.844 -2.561 1.00 0.63 H new ATOM 0 HE3 MET A 61 -7.958 8.432 -3.576 1.00 0.63 H new ATOM 942 N ARG A 62 -3.338 9.485 -7.305 1.00 0.44 N ATOM 943 CA ARG A 62 -2.947 9.120 -8.675 1.00 0.49 C ATOM 944 C ARG A 62 -2.030 7.886 -8.671 1.00 0.49 C ATOM 945 O ARG A 62 -1.345 7.666 -7.667 1.00 0.54 O ATOM 946 CB ARG A 62 -2.324 10.331 -9.409 1.00 0.69 C ATOM 947 CG ARG A 62 -0.959 10.771 -8.866 1.00 1.73 C ATOM 948 CD ARG A 62 -0.343 11.915 -9.680 1.00 2.07 C ATOM 949 NE ARG A 62 0.934 12.311 -9.076 1.00 3.53 N ATOM 950 CZ ARG A 62 2.140 12.378 -9.615 1.00 4.60 C ATOM 951 NH1 ARG A 62 2.343 12.413 -10.917 1.00 4.51 N ATOM 952 NH2 ARG A 62 3.175 12.412 -8.812 1.00 5.95 N ATOM 0 H ARG A 62 -2.686 9.151 -6.595 1.00 0.44 H new ATOM 0 HA ARG A 62 -3.840 8.842 -9.235 1.00 0.49 H new ATOM 0 HB2 ARG A 62 -2.218 10.084 -10.465 1.00 0.69 H new ATOM 0 HB3 ARG A 62 -3.014 11.172 -9.346 1.00 0.69 H new ATOM 0 HG2 ARG A 62 -1.069 11.086 -7.828 1.00 1.73 H new ATOM 0 HG3 ARG A 62 -0.279 9.919 -8.870 1.00 1.73 H new ATOM 0 HD2 ARG A 62 -0.187 11.599 -10.712 1.00 2.07 H new ATOM 0 HD3 ARG A 62 -1.025 12.765 -9.706 1.00 2.07 H new ATOM 0 HE ARG A 62 0.884 12.574 -8.092 1.00 3.53 H new ATOM 0 HH11 ARG A 62 1.550 12.388 -11.558 1.00 4.51 H new ATOM 0 HH12 ARG A 62 3.293 12.465 -11.284 1.00 4.51 H new ATOM 0 HH21 ARG A 62 3.038 12.387 -7.802 1.00 5.95 H new ATOM 0 HH22 ARG A 62 4.118 12.464 -9.197 1.00 5.95 H new ATOM 966 N PRO A 63 -2.003 7.077 -9.747 1.00 0.51 N ATOM 967 CA PRO A 63 -1.093 5.950 -9.838 1.00 0.53 C ATOM 968 C PRO A 63 0.345 6.418 -10.059 1.00 0.53 C ATOM 969 O PRO A 63 0.570 7.490 -10.622 1.00 0.54 O ATOM 970 CB PRO A 63 -1.614 5.080 -10.976 1.00 0.57 C ATOM 971 CG PRO A 63 -2.261 6.103 -11.909 1.00 0.57 C ATOM 972 CD PRO A 63 -2.847 7.132 -10.936 1.00 0.54 C ATOM 0 HA PRO A 63 -1.062 5.377 -8.911 1.00 0.53 H new ATOM 0 HB2 PRO A 63 -0.810 4.533 -11.469 1.00 0.57 H new ATOM 0 HB3 PRO A 63 -2.333 4.340 -10.624 1.00 0.57 H new ATOM 0 HG2 PRO A 63 -1.532 6.553 -12.582 1.00 0.57 H new ATOM 0 HG3 PRO A 63 -3.033 5.650 -12.532 1.00 0.57 H new ATOM 0 HD2 PRO A 63 -2.843 8.131 -11.373 1.00 0.54 H new ATOM 0 HD3 PRO A 63 -3.883 6.895 -10.692 1.00 0.54 H new ATOM 980 N VAL A 64 1.297 5.602 -9.604 1.00 0.54 N ATOM 981 CA VAL A 64 2.753 5.834 -9.698 1.00 0.53 C ATOM 982 C VAL A 64 3.468 4.517 -10.060 1.00 0.49 C ATOM 983 O VAL A 64 2.918 3.450 -9.780 1.00 0.48 O ATOM 984 CB VAL A 64 3.333 6.448 -8.400 1.00 0.55 C ATOM 985 CG1 VAL A 64 2.711 7.817 -8.099 1.00 0.60 C ATOM 986 CG2 VAL A 64 3.210 5.537 -7.170 1.00 0.67 C ATOM 0 H VAL A 64 1.073 4.722 -9.139 1.00 0.54 H new ATOM 0 HA VAL A 64 2.928 6.563 -10.489 1.00 0.53 H new ATOM 0 HB VAL A 64 4.398 6.568 -8.597 1.00 0.55 H new ATOM 0 HG11 VAL A 64 3.141 8.218 -7.181 1.00 0.60 H new ATOM 0 HG12 VAL A 64 2.916 8.499 -8.924 1.00 0.60 H new ATOM 0 HG13 VAL A 64 1.633 7.708 -7.977 1.00 0.60 H new ATOM 0 HG21 VAL A 64 3.639 6.038 -6.302 1.00 0.67 H new ATOM 0 HG22 VAL A 64 2.159 5.320 -6.981 1.00 0.67 H new ATOM 0 HG23 VAL A 64 3.745 4.605 -7.352 1.00 0.67 H new ATOM 996 N PRO A 65 4.655 4.555 -10.707 1.00 0.50 N ATOM 997 CA PRO A 65 5.252 3.381 -11.345 1.00 0.50 C ATOM 998 C PRO A 65 5.995 2.472 -10.364 1.00 0.47 C ATOM 999 O PRO A 65 6.115 1.282 -10.640 1.00 0.48 O ATOM 1000 CB PRO A 65 6.186 3.950 -12.415 1.00 0.54 C ATOM 1001 CG PRO A 65 6.672 5.256 -11.795 1.00 0.56 C ATOM 1002 CD PRO A 65 5.455 5.737 -11.005 1.00 0.54 C ATOM 0 HA PRO A 65 4.483 2.733 -11.767 1.00 0.50 H new ATOM 0 HB2 PRO A 65 7.013 3.273 -12.628 1.00 0.54 H new ATOM 0 HB3 PRO A 65 5.663 4.121 -13.356 1.00 0.54 H new ATOM 0 HG2 PRO A 65 7.536 5.099 -11.149 1.00 0.56 H new ATOM 0 HG3 PRO A 65 6.970 5.977 -12.556 1.00 0.56 H new ATOM 0 HD2 PRO A 65 5.763 6.238 -10.087 1.00 0.54 H new ATOM 0 HD3 PRO A 65 4.878 6.459 -11.584 1.00 0.54 H new ATOM 1010 N PHE A 66 6.474 3.020 -9.240 1.00 0.46 N ATOM 1011 CA PHE A 66 7.208 2.311 -8.187 1.00 0.45 C ATOM 1012 C PHE A 66 7.547 3.235 -7.009 1.00 0.47 C ATOM 1013 O PHE A 66 7.540 4.461 -7.140 1.00 0.53 O ATOM 1014 CB PHE A 66 8.496 1.653 -8.715 1.00 0.45 C ATOM 1015 CG PHE A 66 9.538 2.634 -9.190 1.00 0.48 C ATOM 1016 CD1 PHE A 66 9.518 3.084 -10.518 1.00 1.81 C ATOM 1017 CD2 PHE A 66 10.478 3.147 -8.280 1.00 1.78 C ATOM 1018 CE1 PHE A 66 10.444 4.061 -10.935 1.00 1.81 C ATOM 1019 CE2 PHE A 66 11.373 4.147 -8.681 1.00 1.81 C ATOM 1020 CZ PHE A 66 11.365 4.598 -10.014 1.00 0.57 C ATOM 0 H PHE A 66 6.355 4.011 -9.032 1.00 0.46 H new ATOM 0 HA PHE A 66 6.542 1.523 -7.836 1.00 0.45 H new ATOM 0 HB2 PHE A 66 8.926 1.036 -7.926 1.00 0.45 H new ATOM 0 HB3 PHE A 66 8.239 0.985 -9.537 1.00 0.45 H new ATOM 0 HD1 PHE A 66 8.798 2.684 -11.217 1.00 1.81 H new ATOM 0 HD2 PHE A 66 10.510 2.769 -7.269 1.00 1.78 H new ATOM 0 HE1 PHE A 66 10.448 4.398 -11.961 1.00 1.81 H new ATOM 0 HE2 PHE A 66 12.067 4.570 -7.970 1.00 1.81 H new ATOM 0 HZ PHE A 66 12.065 5.356 -10.331 1.00 0.57 H new ATOM 1030 N LEU A 67 7.921 2.620 -5.885 1.00 0.46 N ATOM 1031 CA LEU A 67 8.606 3.255 -4.758 1.00 0.49 C ATOM 1032 C LEU A 67 10.036 2.723 -4.649 1.00 0.52 C ATOM 1033 O LEU A 67 10.295 1.584 -5.032 1.00 0.51 O ATOM 1034 CB LEU A 67 7.882 2.933 -3.438 1.00 0.50 C ATOM 1035 CG LEU A 67 6.375 3.235 -3.377 1.00 0.51 C ATOM 1036 CD1 LEU A 67 5.920 3.097 -1.923 1.00 0.57 C ATOM 1037 CD2 LEU A 67 5.996 4.628 -3.878 1.00 0.55 C ATOM 0 H LEU A 67 7.748 1.627 -5.729 1.00 0.46 H new ATOM 0 HA LEU A 67 8.610 4.331 -4.930 1.00 0.49 H new ATOM 0 HB2 LEU A 67 8.024 1.874 -3.223 1.00 0.50 H new ATOM 0 HB3 LEU A 67 8.372 3.489 -2.639 1.00 0.50 H new ATOM 0 HG LEU A 67 5.881 2.524 -4.040 1.00 0.51 H new ATOM 0 HD11 LEU A 67 4.853 3.307 -1.854 1.00 0.57 H new ATOM 0 HD12 LEU A 67 6.113 2.082 -1.576 1.00 0.57 H new ATOM 0 HD13 LEU A 67 6.469 3.804 -1.301 1.00 0.57 H new ATOM 0 HD21 LEU A 67 4.917 4.761 -3.802 1.00 0.55 H new ATOM 0 HD22 LEU A 67 6.498 5.382 -3.272 1.00 0.55 H new ATOM 0 HD23 LEU A 67 6.302 4.736 -4.918 1.00 0.55 H new ATOM 1049 N GLU A 68 10.937 3.515 -4.077 1.00 0.57 N ATOM 1050 CA GLU A 68 12.317 3.119 -3.778 1.00 0.61 C ATOM 1051 C GLU A 68 12.488 2.995 -2.261 1.00 0.70 C ATOM 1052 O GLU A 68 11.883 3.781 -1.532 1.00 0.80 O ATOM 1053 CB GLU A 68 13.264 4.206 -4.312 1.00 0.80 C ATOM 1054 CG GLU A 68 14.753 3.866 -4.152 1.00 0.83 C ATOM 1055 CD GLU A 68 15.244 2.979 -5.300 1.00 0.88 C ATOM 1056 OE1 GLU A 68 14.639 1.919 -5.559 1.00 2.15 O ATOM 1057 OE2 GLU A 68 16.179 3.395 -6.016 1.00 1.67 O ATOM 0 H GLU A 68 10.727 4.474 -3.800 1.00 0.57 H new ATOM 0 HA GLU A 68 12.545 2.162 -4.247 1.00 0.61 H new ATOM 0 HB2 GLU A 68 13.051 4.373 -5.368 1.00 0.80 H new ATOM 0 HB3 GLU A 68 13.057 5.142 -3.793 1.00 0.80 H new ATOM 0 HG2 GLU A 68 15.338 4.785 -4.123 1.00 0.83 H new ATOM 0 HG3 GLU A 68 14.913 3.357 -3.201 1.00 0.83 H new ATOM 1064 N VAL A 69 13.338 2.075 -1.787 1.00 0.73 N ATOM 1065 CA VAL A 69 13.743 2.004 -0.374 1.00 0.84 C ATOM 1066 C VAL A 69 15.241 1.678 -0.191 1.00 0.87 C ATOM 1067 O VAL A 69 15.722 0.699 -0.762 1.00 0.85 O ATOM 1068 CB VAL A 69 12.869 0.977 0.405 1.00 0.91 C ATOM 1069 CG1 VAL A 69 13.252 0.855 1.890 1.00 1.11 C ATOM 1070 CG2 VAL A 69 11.364 1.291 0.324 1.00 0.94 C ATOM 0 H VAL A 69 13.766 1.357 -2.372 1.00 0.73 H new ATOM 0 HA VAL A 69 13.581 2.999 0.039 1.00 0.84 H new ATOM 0 HB VAL A 69 13.071 0.029 -0.094 1.00 0.91 H new ATOM 0 HG11 VAL A 69 12.605 0.124 2.374 1.00 1.11 H new ATOM 0 HG12 VAL A 69 14.290 0.532 1.973 1.00 1.11 H new ATOM 0 HG13 VAL A 69 13.133 1.823 2.377 1.00 1.11 H new ATOM 0 HG21 VAL A 69 10.805 0.542 0.885 1.00 0.94 H new ATOM 0 HG22 VAL A 69 11.175 2.277 0.747 1.00 0.94 H new ATOM 0 HG23 VAL A 69 11.045 1.276 -0.718 1.00 0.94 H new ATOM 1080 N PRO A 70 15.997 2.451 0.620 1.00 0.97 N ATOM 1081 CA PRO A 70 17.423 2.223 0.853 1.00 1.03 C ATOM 1082 C PRO A 70 17.688 0.965 1.706 1.00 1.07 C ATOM 1083 O PRO A 70 16.766 0.461 2.350 1.00 1.16 O ATOM 1084 CB PRO A 70 17.922 3.493 1.557 1.00 1.20 C ATOM 1085 CG PRO A 70 16.690 3.976 2.318 1.00 1.25 C ATOM 1086 CD PRO A 70 15.558 3.631 1.356 1.00 1.09 C ATOM 0 HA PRO A 70 17.949 2.039 -0.084 1.00 1.03 H new ATOM 0 HB2 PRO A 70 18.753 3.281 2.229 1.00 1.20 H new ATOM 0 HB3 PRO A 70 18.272 4.238 0.843 1.00 1.20 H new ATOM 0 HG2 PRO A 70 16.579 3.468 3.276 1.00 1.25 H new ATOM 0 HG3 PRO A 70 16.734 5.045 2.527 1.00 1.25 H new ATOM 0 HD2 PRO A 70 14.634 3.431 1.898 1.00 1.09 H new ATOM 0 HD3 PRO A 70 15.357 4.460 0.678 1.00 1.09 H new ATOM 1094 N PRO A 71 18.938 0.462 1.743 1.00 1.06 N ATOM 1095 CA PRO A 71 19.343 -0.618 2.640 1.00 1.07 C ATOM 1096 C PRO A 71 19.142 -0.246 4.108 1.00 1.14 C ATOM 1097 O PRO A 71 19.319 0.910 4.490 1.00 1.23 O ATOM 1098 CB PRO A 71 20.801 -0.920 2.308 1.00 1.09 C ATOM 1099 CG PRO A 71 21.315 0.322 1.591 1.00 1.12 C ATOM 1100 CD PRO A 71 20.069 0.903 0.937 1.00 1.07 C ATOM 0 HA PRO A 71 18.725 -1.504 2.494 1.00 1.07 H new ATOM 0 HB2 PRO A 71 21.377 -1.119 3.212 1.00 1.09 H new ATOM 0 HB3 PRO A 71 20.886 -1.803 1.675 1.00 1.09 H new ATOM 0 HG2 PRO A 71 21.768 1.028 2.287 1.00 1.12 H new ATOM 0 HG3 PRO A 71 22.076 0.071 0.851 1.00 1.12 H new ATOM 0 HD2 PRO A 71 20.120 1.991 0.902 1.00 1.07 H new ATOM 0 HD3 PRO A 71 19.972 0.555 -0.091 1.00 1.07 H new ATOM 1108 N LYS A 72 18.741 -1.234 4.919 1.00 1.16 N ATOM 1109 CA LYS A 72 18.479 -1.124 6.370 1.00 1.27 C ATOM 1110 C LYS A 72 17.263 -0.244 6.730 1.00 1.37 C ATOM 1111 O LYS A 72 16.888 -0.149 7.897 1.00 1.55 O ATOM 1112 CB LYS A 72 19.752 -0.689 7.124 1.00 1.36 C ATOM 1113 CG LYS A 72 21.020 -1.455 6.718 1.00 1.37 C ATOM 1114 CD LYS A 72 20.935 -2.973 6.957 1.00 1.46 C ATOM 1115 CE LYS A 72 22.138 -3.659 6.304 1.00 1.47 C ATOM 1116 NZ LYS A 72 22.071 -5.135 6.411 1.00 2.09 N ATOM 0 H LYS A 72 18.581 -2.179 4.570 1.00 1.16 H new ATOM 0 HA LYS A 72 18.203 -2.124 6.703 1.00 1.27 H new ATOM 0 HB2 LYS A 72 19.915 0.375 6.954 1.00 1.36 H new ATOM 0 HB3 LYS A 72 19.589 -0.820 8.194 1.00 1.36 H new ATOM 0 HG2 LYS A 72 21.219 -1.274 5.662 1.00 1.37 H new ATOM 0 HG3 LYS A 72 21.868 -1.056 7.275 1.00 1.37 H new ATOM 0 HD2 LYS A 72 20.919 -3.184 8.026 1.00 1.46 H new ATOM 0 HD3 LYS A 72 20.008 -3.366 6.540 1.00 1.46 H new ATOM 0 HE2 LYS A 72 22.189 -3.375 5.253 1.00 1.47 H new ATOM 0 HE3 LYS A 72 23.055 -3.304 6.774 1.00 1.47 H new ATOM 0 HZ1 LYS A 72 22.802 -5.469 7.071 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 21.133 -5.415 6.762 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 22.231 -5.559 5.475 1.00 2.09 H new ATOM 1130 N GLY A 73 16.631 0.386 5.736 1.00 1.32 N ATOM 1131 CA GLY A 73 15.489 1.294 5.887 1.00 1.39 C ATOM 1132 C GLY A 73 14.149 0.562 5.982 1.00 1.34 C ATOM 1133 O GLY A 73 13.856 -0.308 5.165 1.00 1.26 O ATOM 0 H GLY A 73 16.913 0.273 4.762 1.00 1.32 H new ATOM 0 HA2 GLY A 73 15.630 1.899 6.782 1.00 1.39 H new ATOM 0 HA3 GLY A 73 15.463 1.979 5.040 1.00 1.39 H new ATOM 1137 N ARG A 74 13.304 0.975 6.936 1.00 1.69 N ATOM 1138 CA ARG A 74 11.869 0.637 6.989 1.00 1.64 C ATOM 1139 C ARG A 74 11.038 1.778 6.405 1.00 1.75 C ATOM 1140 O ARG A 74 11.327 2.940 6.685 1.00 2.11 O ATOM 1141 CB ARG A 74 11.423 0.287 8.423 1.00 1.94 C ATOM 1142 CG ARG A 74 11.528 1.406 9.485 1.00 1.76 C ATOM 1143 CD ARG A 74 10.293 2.262 9.723 1.00 1.88 C ATOM 1144 NE ARG A 74 10.404 2.984 11.008 1.00 3.00 N ATOM 1145 CZ ARG A 74 9.506 3.801 11.555 1.00 4.18 C ATOM 1146 NH1 ARG A 74 8.435 4.222 10.933 1.00 4.65 N ATOM 1147 NH2 ARG A 74 9.661 4.172 12.806 1.00 5.33 N ATOM 0 H ARG A 74 13.602 1.567 7.711 1.00 1.69 H new ATOM 0 HA ARG A 74 11.703 -0.253 6.381 1.00 1.64 H new ATOM 0 HB2 ARG A 74 10.386 -0.046 8.383 1.00 1.94 H new ATOM 0 HB3 ARG A 74 12.017 -0.561 8.765 1.00 1.94 H new ATOM 0 HG2 ARG A 74 11.807 0.946 10.433 1.00 1.76 H new ATOM 0 HG3 ARG A 74 12.346 2.067 9.199 1.00 1.76 H new ATOM 0 HD2 ARG A 74 10.175 2.975 8.907 1.00 1.88 H new ATOM 0 HD3 ARG A 74 9.403 1.633 9.728 1.00 1.88 H new ATOM 0 HE ARG A 74 11.265 2.840 11.535 1.00 3.00 H new ATOM 0 HH11 ARG A 74 8.252 3.924 9.975 1.00 4.65 H new ATOM 0 HH12 ARG A 74 7.783 4.848 11.406 1.00 4.65 H new ATOM 0 HH21 ARG A 74 10.460 3.835 13.343 1.00 5.33 H new ATOM 0 HH22 ARG A 74 8.982 4.797 13.240 1.00 5.33 H new ATOM 1161 N VAL A 75 10.011 1.455 5.626 1.00 1.68 N ATOM 1162 CA VAL A 75 9.114 2.417 4.969 1.00 2.04 C ATOM 1163 C VAL A 75 7.716 1.817 4.947 1.00 1.71 C ATOM 1164 O VAL A 75 7.563 0.673 4.543 1.00 1.72 O ATOM 1165 CB VAL A 75 9.567 2.700 3.511 1.00 2.57 C ATOM 1166 CG1 VAL A 75 8.561 3.587 2.753 1.00 3.12 C ATOM 1167 CG2 VAL A 75 10.934 3.411 3.496 1.00 3.06 C ATOM 0 H VAL A 75 9.767 0.486 5.424 1.00 1.68 H new ATOM 0 HA VAL A 75 9.132 3.358 5.519 1.00 2.04 H new ATOM 0 HB VAL A 75 9.632 1.731 3.016 1.00 2.57 H new ATOM 0 HG11 VAL A 75 8.920 3.758 1.738 1.00 3.12 H new ATOM 0 HG12 VAL A 75 7.592 3.089 2.716 1.00 3.12 H new ATOM 0 HG13 VAL A 75 8.458 4.542 3.268 1.00 3.12 H new ATOM 0 HG21 VAL A 75 11.234 3.601 2.465 1.00 3.06 H new ATOM 0 HG22 VAL A 75 10.858 4.357 4.032 1.00 3.06 H new ATOM 0 HG23 VAL A 75 11.678 2.779 3.980 1.00 3.06 H new ATOM 1177 N GLU A 76 6.690 2.569 5.340 1.00 1.65 N ATOM 1178 CA GLU A 76 5.302 2.135 5.197 1.00 1.41 C ATOM 1179 C GLU A 76 4.580 2.965 4.138 1.00 1.18 C ATOM 1180 O GLU A 76 4.655 4.203 4.120 1.00 1.35 O ATOM 1181 CB GLU A 76 4.510 2.159 6.518 1.00 1.88 C ATOM 1182 CG GLU A 76 5.314 1.995 7.818 1.00 2.48 C ATOM 1183 CD GLU A 76 6.206 3.191 8.145 1.00 2.28 C ATOM 1184 OE1 GLU A 76 6.023 4.286 7.558 1.00 2.51 O ATOM 1185 OE2 GLU A 76 7.137 3.000 8.952 1.00 3.25 O ATOM 0 H GLU A 76 6.796 3.491 5.764 1.00 1.65 H new ATOM 0 HA GLU A 76 5.347 1.094 4.878 1.00 1.41 H new ATOM 0 HB2 GLU A 76 3.969 3.104 6.571 1.00 1.88 H new ATOM 0 HB3 GLU A 76 3.763 1.366 6.479 1.00 1.88 H new ATOM 0 HG2 GLU A 76 4.622 1.833 8.644 1.00 2.48 H new ATOM 0 HG3 GLU A 76 5.934 1.102 7.741 1.00 2.48 H new ATOM 1192 N LEU A 77 3.812 2.270 3.302 1.00 0.99 N ATOM 1193 CA LEU A 77 2.802 2.832 2.420 1.00 0.93 C ATOM 1194 C LEU A 77 1.613 3.308 3.259 1.00 1.43 C ATOM 1195 O LEU A 77 0.598 2.643 3.389 1.00 2.51 O ATOM 1196 CB LEU A 77 2.418 1.788 1.357 1.00 0.95 C ATOM 1197 CG LEU A 77 3.491 1.622 0.262 1.00 0.84 C ATOM 1198 CD1 LEU A 77 4.381 0.399 0.505 1.00 0.84 C ATOM 1199 CD2 LEU A 77 2.820 1.516 -1.116 1.00 1.45 C ATOM 0 H LEU A 77 3.883 1.256 3.220 1.00 0.99 H new ATOM 0 HA LEU A 77 3.184 3.702 1.885 1.00 0.93 H new ATOM 0 HB2 LEU A 77 2.251 0.827 1.843 1.00 0.95 H new ATOM 0 HB3 LEU A 77 1.475 2.079 0.893 1.00 0.95 H new ATOM 0 HG LEU A 77 4.131 2.504 0.295 1.00 0.84 H new ATOM 0 HD11 LEU A 77 5.121 0.324 -0.292 1.00 0.84 H new ATOM 0 HD12 LEU A 77 4.889 0.504 1.464 1.00 0.84 H new ATOM 0 HD13 LEU A 77 3.767 -0.501 0.516 1.00 0.84 H new ATOM 0 HD21 LEU A 77 3.584 1.399 -1.885 1.00 1.45 H new ATOM 0 HD22 LEU A 77 2.155 0.653 -1.131 1.00 1.45 H new ATOM 0 HD23 LEU A 77 2.245 2.421 -1.311 1.00 1.45 H new ATOM 1211 N LYS A 78 1.774 4.467 3.884 1.00 1.10 N ATOM 1212 CA LYS A 78 0.840 5.041 4.850 1.00 1.50 C ATOM 1213 C LYS A 78 -0.426 5.660 4.215 1.00 1.26 C ATOM 1214 O LYS A 78 -0.370 6.157 3.091 1.00 1.04 O ATOM 1215 CB LYS A 78 1.630 6.054 5.707 1.00 1.89 C ATOM 1216 CG LYS A 78 2.390 7.129 4.889 1.00 1.61 C ATOM 1217 CD LYS A 78 3.318 7.998 5.752 1.00 2.01 C ATOM 1218 CE LYS A 78 4.277 7.207 6.665 1.00 3.18 C ATOM 1219 NZ LYS A 78 5.145 6.243 5.938 1.00 3.60 N ATOM 0 H LYS A 78 2.590 5.058 3.727 1.00 1.10 H new ATOM 0 HA LYS A 78 0.440 4.241 5.473 1.00 1.50 H new ATOM 0 HB2 LYS A 78 0.939 6.553 6.387 1.00 1.89 H new ATOM 0 HB3 LYS A 78 2.346 5.510 6.323 1.00 1.89 H new ATOM 0 HG2 LYS A 78 2.979 6.638 4.114 1.00 1.61 H new ATOM 0 HG3 LYS A 78 1.668 7.770 4.383 1.00 1.61 H new ATOM 0 HD2 LYS A 78 3.908 8.638 5.096 1.00 2.01 H new ATOM 0 HD3 LYS A 78 2.707 8.654 6.372 1.00 2.01 H new ATOM 0 HE2 LYS A 78 4.908 7.910 7.208 1.00 3.18 H new ATOM 0 HE3 LYS A 78 3.691 6.665 7.407 1.00 3.18 H new ATOM 0 HZ1 LYS A 78 5.623 5.622 6.622 1.00 3.60 H new ATOM 0 HZ2 LYS A 78 4.563 5.668 5.296 1.00 3.60 H new ATOM 0 HZ3 LYS A 78 5.857 6.764 5.387 1.00 3.60 H new ATOM 1233 N PRO A 79 -1.544 5.769 4.970 1.00 1.48 N ATOM 1234 CA PRO A 79 -2.709 6.553 4.547 1.00 1.44 C ATOM 1235 C PRO A 79 -2.416 8.054 4.437 1.00 1.16 C ATOM 1236 O PRO A 79 -3.144 8.745 3.731 1.00 2.02 O ATOM 1237 CB PRO A 79 -3.797 6.269 5.584 1.00 1.95 C ATOM 1238 CG PRO A 79 -2.994 5.960 6.841 1.00 2.07 C ATOM 1239 CD PRO A 79 -1.780 5.210 6.295 1.00 1.98 C ATOM 0 HA PRO A 79 -3.017 6.263 3.543 1.00 1.44 H new ATOM 0 HB2 PRO A 79 -4.455 7.127 5.725 1.00 1.95 H new ATOM 0 HB3 PRO A 79 -4.427 5.429 5.290 1.00 1.95 H new ATOM 0 HG2 PRO A 79 -2.704 6.869 7.368 1.00 2.07 H new ATOM 0 HG3 PRO A 79 -3.562 5.351 7.544 1.00 2.07 H new ATOM 0 HD2 PRO A 79 -0.911 5.346 6.939 1.00 1.98 H new ATOM 0 HD3 PRO A 79 -1.972 4.138 6.241 1.00 1.98 H new ATOM 1247 N GLY A 80 -1.336 8.549 5.059 1.00 1.21 N ATOM 1248 CA GLY A 80 -0.790 9.883 4.792 1.00 1.66 C ATOM 1249 C GLY A 80 0.076 9.929 3.527 1.00 1.56 C ATOM 1250 O GLY A 80 1.095 10.615 3.524 1.00 2.51 O ATOM 0 H GLY A 80 -0.815 8.030 5.766 1.00 1.21 H new ATOM 0 HA2 GLY A 80 -1.611 10.593 4.691 1.00 1.66 H new ATOM 0 HA3 GLY A 80 -0.194 10.204 5.646 1.00 1.66 H new ATOM 1254 N GLY A 81 -0.286 9.173 2.477 1.00 0.77 N ATOM 1255 CA GLY A 81 0.399 9.161 1.179 1.00 0.74 C ATOM 1256 C GLY A 81 0.279 7.855 0.396 1.00 0.88 C ATOM 1257 O GLY A 81 -0.804 7.458 -0.033 1.00 1.79 O ATOM 0 H GLY A 81 -1.084 8.538 2.511 1.00 0.77 H new ATOM 0 HA2 GLY A 81 0.001 9.971 0.568 1.00 0.74 H new ATOM 0 HA3 GLY A 81 1.456 9.374 1.341 1.00 0.74 H new ATOM 1261 N TYR A 82 1.418 7.216 0.128 1.00 0.63 N ATOM 1262 CA TYR A 82 1.509 6.138 -0.862 1.00 0.61 C ATOM 1263 C TYR A 82 0.842 4.862 -0.375 1.00 0.69 C ATOM 1264 O TYR A 82 0.903 4.532 0.799 1.00 0.82 O ATOM 1265 CB TYR A 82 2.970 5.836 -1.187 1.00 0.70 C ATOM 1266 CG TYR A 82 3.659 6.946 -1.941 1.00 0.66 C ATOM 1267 CD1 TYR A 82 3.586 6.959 -3.343 1.00 1.92 C ATOM 1268 CD2 TYR A 82 4.347 7.969 -1.260 1.00 1.63 C ATOM 1269 CE1 TYR A 82 4.224 7.973 -4.070 1.00 1.93 C ATOM 1270 CE2 TYR A 82 4.961 9.006 -1.984 1.00 1.66 C ATOM 1271 CZ TYR A 82 4.898 9.014 -3.397 1.00 0.77 C ATOM 1272 OH TYR A 82 5.462 10.032 -4.100 1.00 0.89 O ATOM 0 H TYR A 82 2.303 7.429 0.589 1.00 0.63 H new ATOM 0 HA TYR A 82 0.989 6.483 -1.755 1.00 0.61 H new ATOM 0 HB2 TYR A 82 3.509 5.648 -0.259 1.00 0.70 H new ATOM 0 HB3 TYR A 82 3.021 4.920 -1.776 1.00 0.70 H new ATOM 0 HD1 TYR A 82 3.038 6.187 -3.862 1.00 1.92 H new ATOM 0 HD2 TYR A 82 4.403 7.957 -0.182 1.00 1.63 H new ATOM 0 HE1 TYR A 82 4.200 7.958 -5.150 1.00 1.93 H new ATOM 0 HE2 TYR A 82 5.480 9.796 -1.462 1.00 1.66 H new ATOM 0 HH TYR A 82 5.884 10.663 -3.480 1.00 0.89 H new ATOM 1282 N HIS A 83 0.180 4.159 -1.284 1.00 0.63 N ATOM 1283 CA HIS A 83 -0.652 2.987 -0.981 1.00 0.63 C ATOM 1284 C HIS A 83 -0.926 2.130 -2.227 1.00 0.59 C ATOM 1285 O HIS A 83 -0.672 2.565 -3.350 1.00 0.76 O ATOM 1286 CB HIS A 83 -1.929 3.449 -0.271 1.00 0.63 C ATOM 1287 CG HIS A 83 -2.827 4.286 -1.127 1.00 0.56 C ATOM 1288 ND1 HIS A 83 -2.710 5.639 -1.357 1.00 0.52 N ATOM 1289 CD2 HIS A 83 -3.827 3.807 -1.927 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -3.584 5.960 -2.324 1.00 0.50 C ATOM 1291 NE2 HIS A 83 -4.313 4.883 -2.665 1.00 0.52 N ATOM 0 H HIS A 83 0.203 4.388 -2.278 1.00 0.63 H new ATOM 0 HA HIS A 83 -0.109 2.326 -0.306 1.00 0.63 H new ATOM 0 HB2 HIS A 83 -2.481 2.573 0.070 1.00 0.63 H new ATOM 0 HB3 HIS A 83 -1.654 4.019 0.617 1.00 0.63 H new ATOM 0 HD1 HIS A 83 -2.076 6.280 -0.880 1.00 0.52 H new ATOM 0 HD2 HIS A 83 -4.175 2.786 -1.977 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -3.687 6.941 -2.764 1.00 0.50 H new ATOM 1299 N PHE A 84 -1.521 0.947 -2.046 1.00 0.58 N ATOM 1300 CA PHE A 84 -2.016 0.121 -3.152 1.00 0.60 C ATOM 1301 C PHE A 84 -3.550 0.144 -3.204 1.00 0.62 C ATOM 1302 O PHE A 84 -4.195 -0.071 -2.183 1.00 0.81 O ATOM 1303 CB PHE A 84 -1.527 -1.326 -2.995 1.00 0.70 C ATOM 1304 CG PHE A 84 -0.049 -1.486 -3.260 1.00 0.80 C ATOM 1305 CD1 PHE A 84 0.410 -1.645 -4.580 1.00 1.91 C ATOM 1306 CD2 PHE A 84 0.869 -1.444 -2.198 1.00 1.35 C ATOM 1307 CE1 PHE A 84 1.785 -1.762 -4.835 1.00 2.00 C ATOM 1308 CE2 PHE A 84 2.244 -1.555 -2.459 1.00 1.42 C ATOM 1309 CZ PHE A 84 2.705 -1.711 -3.776 1.00 1.10 C ATOM 0 H PHE A 84 -1.673 0.534 -1.126 1.00 0.58 H new ATOM 0 HA PHE A 84 -1.627 0.533 -4.083 1.00 0.60 H new ATOM 0 HB2 PHE A 84 -1.748 -1.670 -1.984 1.00 0.70 H new ATOM 0 HB3 PHE A 84 -2.084 -1.967 -3.678 1.00 0.70 H new ATOM 0 HD1 PHE A 84 -0.296 -1.677 -5.397 1.00 1.91 H new ATOM 0 HD2 PHE A 84 0.518 -1.327 -1.183 1.00 1.35 H new ATOM 0 HE1 PHE A 84 2.136 -1.892 -5.848 1.00 2.00 H new ATOM 0 HE2 PHE A 84 2.950 -1.520 -1.643 1.00 1.42 H new ATOM 0 HZ PHE A 84 3.764 -1.791 -3.974 1.00 1.10 H new ATOM 1319 N MET A 85 -4.154 0.339 -4.376 1.00 0.57 N ATOM 1320 CA MET A 85 -5.573 0.056 -4.659 1.00 0.61 C ATOM 1321 C MET A 85 -5.740 -1.429 -4.967 1.00 0.56 C ATOM 1322 O MET A 85 -5.017 -1.961 -5.806 1.00 0.59 O ATOM 1323 CB MET A 85 -6.084 0.899 -5.836 1.00 0.72 C ATOM 1324 CG MET A 85 -7.386 1.627 -5.471 1.00 0.75 C ATOM 1325 SD MET A 85 -7.239 2.832 -4.109 1.00 0.55 S ATOM 1326 CE MET A 85 -9.000 3.081 -3.741 1.00 0.56 C ATOM 0 H MET A 85 -3.658 0.711 -5.186 1.00 0.57 H new ATOM 0 HA MET A 85 -6.162 0.319 -3.780 1.00 0.61 H new ATOM 0 HB2 MET A 85 -5.325 1.627 -6.123 1.00 0.72 H new ATOM 0 HB3 MET A 85 -6.253 0.257 -6.701 1.00 0.72 H new ATOM 0 HG2 MET A 85 -7.756 2.145 -6.356 1.00 0.75 H new ATOM 0 HG3 MET A 85 -8.136 0.884 -5.200 1.00 0.75 H new ATOM 0 HE1 MET A 85 -9.104 3.795 -2.924 1.00 0.56 H new ATOM 0 HE2 MET A 85 -9.506 3.466 -4.626 1.00 0.56 H new ATOM 0 HE3 MET A 85 -9.449 2.131 -3.451 1.00 0.56 H new ATOM 1336 N LEU A 86 -6.677 -2.102 -4.295 1.00 0.55 N ATOM 1337 CA LEU A 86 -6.974 -3.527 -4.472 1.00 0.55 C ATOM 1338 C LEU A 86 -8.406 -3.676 -4.995 1.00 0.53 C ATOM 1339 O LEU A 86 -9.327 -3.042 -4.479 1.00 0.58 O ATOM 1340 CB LEU A 86 -6.837 -4.264 -3.128 1.00 0.64 C ATOM 1341 CG LEU A 86 -5.418 -4.667 -2.671 1.00 0.81 C ATOM 1342 CD1 LEU A 86 -4.429 -3.504 -2.547 1.00 0.97 C ATOM 1343 CD2 LEU A 86 -5.549 -5.336 -1.297 1.00 0.89 C ATOM 0 H LEU A 86 -7.268 -1.658 -3.592 1.00 0.55 H new ATOM 0 HA LEU A 86 -6.271 -3.959 -5.185 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -7.272 -3.632 -2.353 1.00 0.64 H new ATOM 0 HB3 LEU A 86 -7.443 -5.169 -3.179 1.00 0.64 H new ATOM 0 HG LEU A 86 -5.013 -5.326 -3.439 1.00 0.81 H new ATOM 0 HD11 LEU A 86 -3.460 -3.883 -2.221 1.00 0.97 H new ATOM 0 HD12 LEU A 86 -4.320 -3.014 -3.515 1.00 0.97 H new ATOM 0 HD13 LEU A 86 -4.802 -2.786 -1.817 1.00 0.97 H new ATOM 0 HD21 LEU A 86 -4.563 -5.635 -0.942 1.00 0.89 H new ATOM 0 HD22 LEU A 86 -5.991 -4.633 -0.591 1.00 0.89 H new ATOM 0 HD23 LEU A 86 -6.186 -6.216 -1.380 1.00 0.89 H new ATOM 1355 N LEU A 87 -8.594 -4.522 -6.010 1.00 0.57 N ATOM 1356 CA LEU A 87 -9.848 -4.630 -6.757 1.00 0.59 C ATOM 1357 C LEU A 87 -10.222 -6.096 -6.978 1.00 0.59 C ATOM 1358 O LEU A 87 -9.383 -6.895 -7.396 1.00 0.68 O ATOM 1359 CB LEU A 87 -9.664 -3.911 -8.109 1.00 0.73 C ATOM 1360 CG LEU A 87 -9.337 -2.407 -7.999 1.00 0.96 C ATOM 1361 CD1 LEU A 87 -8.977 -1.830 -9.365 1.00 1.85 C ATOM 1362 CD2 LEU A 87 -10.519 -1.629 -7.421 1.00 2.09 C ATOM 0 H LEU A 87 -7.870 -5.160 -6.340 1.00 0.57 H new ATOM 0 HA LEU A 87 -10.657 -4.167 -6.192 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -8.864 -4.404 -8.661 1.00 0.73 H new ATOM 0 HB3 LEU A 87 -10.575 -4.029 -8.695 1.00 0.73 H new ATOM 0 HG LEU A 87 -8.483 -2.307 -7.329 1.00 0.96 H new ATOM 0 HD11 LEU A 87 -8.750 -0.769 -9.263 1.00 1.85 H new ATOM 0 HD12 LEU A 87 -8.106 -2.351 -9.762 1.00 1.85 H new ATOM 0 HD13 LEU A 87 -9.818 -1.958 -10.047 1.00 1.85 H new ATOM 0 HD21 LEU A 87 -10.261 -0.572 -7.354 1.00 2.09 H new ATOM 0 HD22 LEU A 87 -11.387 -1.751 -8.069 1.00 2.09 H new ATOM 0 HD23 LEU A 87 -10.753 -2.009 -6.426 1.00 2.09 H new ATOM 1374 N GLY A 88 -11.482 -6.452 -6.717 1.00 0.61 N ATOM 1375 CA GLY A 88 -12.022 -7.806 -6.905 1.00 0.67 C ATOM 1376 C GLY A 88 -11.666 -8.782 -5.780 1.00 0.69 C ATOM 1377 O GLY A 88 -11.392 -9.946 -6.074 1.00 0.91 O ATOM 0 H GLY A 88 -12.174 -5.793 -6.360 1.00 0.61 H new ATOM 0 HA2 GLY A 88 -13.107 -7.745 -6.989 1.00 0.67 H new ATOM 0 HA3 GLY A 88 -11.652 -8.206 -7.849 1.00 0.67 H new ATOM 1381 N LEU A 89 -11.623 -8.312 -4.524 1.00 0.64 N ATOM 1382 CA LEU A 89 -11.388 -9.125 -3.316 1.00 0.69 C ATOM 1383 C LEU A 89 -12.162 -10.442 -3.217 1.00 0.73 C ATOM 1384 O LEU A 89 -13.248 -10.632 -3.757 1.00 0.95 O ATOM 1385 CB LEU A 89 -11.499 -8.291 -2.026 1.00 0.79 C ATOM 1386 CG LEU A 89 -12.698 -7.333 -1.870 1.00 0.81 C ATOM 1387 CD1 LEU A 89 -14.054 -8.047 -1.931 1.00 1.31 C ATOM 1388 CD2 LEU A 89 -12.532 -6.581 -0.549 1.00 1.15 C ATOM 0 H LEU A 89 -11.755 -7.323 -4.312 1.00 0.64 H new ATOM 0 HA LEU A 89 -10.354 -9.451 -3.433 1.00 0.69 H new ATOM 0 HB2 LEU A 89 -11.516 -8.983 -1.184 1.00 0.79 H new ATOM 0 HB3 LEU A 89 -10.588 -7.700 -1.934 1.00 0.79 H new ATOM 0 HG LEU A 89 -12.700 -6.641 -2.712 1.00 0.81 H new ATOM 0 HD11 LEU A 89 -14.855 -7.317 -1.815 1.00 1.31 H new ATOM 0 HD12 LEU A 89 -14.158 -8.550 -2.893 1.00 1.31 H new ATOM 0 HD13 LEU A 89 -14.114 -8.783 -1.129 1.00 1.31 H new ATOM 0 HD21 LEU A 89 -13.368 -5.895 -0.413 1.00 1.15 H new ATOM 0 HD22 LEU A 89 -12.510 -7.294 0.275 1.00 1.15 H new ATOM 0 HD23 LEU A 89 -11.599 -6.017 -0.566 1.00 1.15 H new ATOM 1400 N LYS A 90 -11.528 -11.385 -2.522 1.00 0.76 N ATOM 1401 CA LYS A 90 -11.946 -12.796 -2.476 1.00 0.81 C ATOM 1402 C LYS A 90 -12.589 -13.212 -1.143 1.00 0.90 C ATOM 1403 O LYS A 90 -12.911 -14.380 -0.935 1.00 1.08 O ATOM 1404 CB LYS A 90 -10.772 -13.695 -2.919 1.00 0.79 C ATOM 1405 CG LYS A 90 -10.190 -13.343 -4.309 1.00 0.81 C ATOM 1406 CD LYS A 90 -11.267 -13.263 -5.403 1.00 1.26 C ATOM 1407 CE LYS A 90 -10.709 -12.888 -6.780 1.00 1.25 C ATOM 1408 NZ LYS A 90 -11.804 -12.398 -7.652 1.00 2.32 N ATOM 0 H LYS A 90 -10.696 -11.193 -1.964 1.00 0.76 H new ATOM 0 HA LYS A 90 -12.759 -12.933 -3.189 1.00 0.81 H new ATOM 0 HB2 LYS A 90 -9.977 -13.626 -2.177 1.00 0.79 H new ATOM 0 HB3 LYS A 90 -11.108 -14.732 -2.931 1.00 0.79 H new ATOM 0 HG2 LYS A 90 -9.669 -12.388 -4.248 1.00 0.81 H new ATOM 0 HG3 LYS A 90 -9.450 -14.093 -4.588 1.00 0.81 H new ATOM 0 HD2 LYS A 90 -11.774 -14.225 -5.474 1.00 1.26 H new ATOM 0 HD3 LYS A 90 -12.017 -12.528 -5.111 1.00 1.26 H new ATOM 0 HE2 LYS A 90 -9.944 -12.119 -6.675 1.00 1.25 H new ATOM 0 HE3 LYS A 90 -10.229 -13.754 -7.236 1.00 1.25 H new ATOM 0 HZ1 LYS A 90 -11.439 -12.242 -8.613 1.00 2.32 H new ATOM 0 HZ2 LYS A 90 -12.567 -13.105 -7.682 1.00 2.32 H new ATOM 0 HZ3 LYS A 90 -12.175 -11.503 -7.273 1.00 2.32 H new ATOM 1422 N ARG A 91 -12.828 -12.238 -0.254 1.00 0.92 N ATOM 1423 CA ARG A 91 -13.661 -12.381 0.948 1.00 1.06 C ATOM 1424 C ARG A 91 -14.427 -11.084 1.265 1.00 1.11 C ATOM 1425 O ARG A 91 -13.860 -10.016 1.041 1.00 1.11 O ATOM 1426 CB ARG A 91 -12.773 -12.814 2.134 1.00 1.24 C ATOM 1427 CG ARG A 91 -11.875 -11.707 2.720 1.00 2.31 C ATOM 1428 CD ARG A 91 -10.830 -12.231 3.715 1.00 2.93 C ATOM 1429 NE ARG A 91 -11.414 -12.727 4.976 1.00 3.51 N ATOM 1430 CZ ARG A 91 -11.426 -13.969 5.440 1.00 3.79 C ATOM 1431 NH1 ARG A 91 -11.121 -15.019 4.700 1.00 3.91 N ATOM 1432 NH2 ARG A 91 -11.740 -14.141 6.703 1.00 4.78 N ATOM 0 H ARG A 91 -12.436 -11.302 -0.354 1.00 0.92 H new ATOM 0 HA ARG A 91 -14.412 -13.150 0.766 1.00 1.06 H new ATOM 0 HB2 ARG A 91 -13.415 -13.197 2.927 1.00 1.24 H new ATOM 0 HB3 ARG A 91 -12.140 -13.640 1.810 1.00 1.24 H new ATOM 0 HG2 ARG A 91 -11.364 -11.194 1.905 1.00 2.31 H new ATOM 0 HG3 ARG A 91 -12.502 -10.967 3.219 1.00 2.31 H new ATOM 0 HD2 ARG A 91 -10.264 -13.035 3.245 1.00 2.93 H new ATOM 0 HD3 ARG A 91 -10.123 -11.433 3.941 1.00 2.93 H new ATOM 0 HE ARG A 91 -11.865 -12.027 5.565 1.00 3.51 H new ATOM 0 HH11 ARG A 91 -10.860 -14.895 3.722 1.00 3.91 H new ATOM 0 HH12 ARG A 91 -11.146 -15.954 5.107 1.00 3.91 H new ATOM 0 HH21 ARG A 91 -11.963 -13.335 7.287 1.00 4.78 H new ATOM 0 HH22 ARG A 91 -11.761 -15.080 7.100 1.00 4.78 H new ATOM 1446 N PRO A 92 -15.647 -11.144 1.837 1.00 1.33 N ATOM 1447 CA PRO A 92 -16.222 -10.019 2.567 1.00 1.51 C ATOM 1448 C PRO A 92 -15.424 -9.823 3.864 1.00 1.65 C ATOM 1449 O PRO A 92 -14.899 -10.785 4.424 1.00 1.89 O ATOM 1450 CB PRO A 92 -17.679 -10.406 2.826 1.00 1.82 C ATOM 1451 CG PRO A 92 -17.616 -11.931 2.943 1.00 1.88 C ATOM 1452 CD PRO A 92 -16.491 -12.323 1.981 1.00 1.56 C ATOM 0 HA PRO A 92 -16.181 -9.074 2.025 1.00 1.51 H new ATOM 0 HB2 PRO A 92 -18.062 -9.947 3.737 1.00 1.82 H new ATOM 0 HB3 PRO A 92 -18.331 -10.091 2.012 1.00 1.82 H new ATOM 0 HG2 PRO A 92 -17.398 -12.246 3.964 1.00 1.88 H new ATOM 0 HG3 PRO A 92 -18.562 -12.394 2.662 1.00 1.88 H new ATOM 0 HD2 PRO A 92 -15.920 -13.165 2.373 1.00 1.56 H new ATOM 0 HD3 PRO A 92 -16.894 -12.633 1.017 1.00 1.56 H new ATOM 1460 N LEU A 93 -15.326 -8.589 4.363 1.00 1.81 N ATOM 1461 CA LEU A 93 -14.264 -8.142 5.248 1.00 1.75 C ATOM 1462 C LEU A 93 -14.809 -7.162 6.286 1.00 1.60 C ATOM 1463 O LEU A 93 -15.625 -6.294 5.999 1.00 2.03 O ATOM 1464 CB LEU A 93 -13.066 -7.586 4.450 1.00 1.88 C ATOM 1465 CG LEU A 93 -13.269 -6.303 3.612 1.00 2.12 C ATOM 1466 CD1 LEU A 93 -11.910 -5.893 3.023 1.00 1.85 C ATOM 1467 CD2 LEU A 93 -14.276 -6.481 2.466 1.00 3.95 C ATOM 0 H LEU A 93 -16.005 -7.858 4.153 1.00 1.81 H new ATOM 0 HA LEU A 93 -13.879 -8.999 5.800 1.00 1.75 H new ATOM 0 HB2 LEU A 93 -12.257 -7.396 5.156 1.00 1.88 H new ATOM 0 HB3 LEU A 93 -12.724 -8.371 3.776 1.00 1.88 H new ATOM 0 HG LEU A 93 -13.675 -5.538 4.274 1.00 2.12 H new ATOM 0 HD11 LEU A 93 -12.030 -4.988 2.427 1.00 1.85 H new ATOM 0 HD12 LEU A 93 -11.205 -5.703 3.832 1.00 1.85 H new ATOM 0 HD13 LEU A 93 -11.530 -6.696 2.391 1.00 1.85 H new ATOM 0 HD21 LEU A 93 -14.372 -5.544 1.917 1.00 3.95 H new ATOM 0 HD22 LEU A 93 -13.925 -7.262 1.791 1.00 3.95 H new ATOM 0 HD23 LEU A 93 -15.246 -6.763 2.875 1.00 3.95 H new ATOM 1479 N LYS A 94 -14.405 -7.381 7.527 1.00 1.26 N ATOM 1480 CA LYS A 94 -14.749 -6.550 8.683 1.00 1.20 C ATOM 1481 C LYS A 94 -13.577 -5.644 9.094 1.00 1.03 C ATOM 1482 O LYS A 94 -12.442 -5.813 8.648 1.00 1.49 O ATOM 1483 CB LYS A 94 -15.196 -7.400 9.899 1.00 1.61 C ATOM 1484 CG LYS A 94 -15.875 -8.754 9.664 1.00 1.84 C ATOM 1485 CD LYS A 94 -17.025 -8.784 8.639 1.00 2.39 C ATOM 1486 CE LYS A 94 -17.102 -10.161 7.950 1.00 3.29 C ATOM 1487 NZ LYS A 94 -15.907 -10.439 7.111 1.00 3.80 N ATOM 0 H LYS A 94 -13.806 -8.170 7.772 1.00 1.26 H new ATOM 0 HA LYS A 94 -15.588 -5.927 8.372 1.00 1.20 H new ATOM 0 HB2 LYS A 94 -14.314 -7.579 10.514 1.00 1.61 H new ATOM 0 HB3 LYS A 94 -15.879 -6.790 10.491 1.00 1.61 H new ATOM 0 HG2 LYS A 94 -15.114 -9.465 9.342 1.00 1.84 H new ATOM 0 HG3 LYS A 94 -16.261 -9.111 10.619 1.00 1.84 H new ATOM 0 HD2 LYS A 94 -17.970 -8.568 9.138 1.00 2.39 H new ATOM 0 HD3 LYS A 94 -16.874 -8.005 7.892 1.00 2.39 H new ATOM 0 HE2 LYS A 94 -17.201 -10.939 8.707 1.00 3.29 H new ATOM 0 HE3 LYS A 94 -17.997 -10.205 7.330 1.00 3.29 H new ATOM 0 HZ1 LYS A 94 -15.640 -11.439 7.208 1.00 3.80 H new ATOM 0 HZ2 LYS A 94 -16.127 -10.235 6.115 1.00 3.80 H new ATOM 0 HZ3 LYS A 94 -15.117 -9.838 7.422 1.00 3.80 H new ATOM 1501 N ALA A 95 -13.852 -4.737 10.028 1.00 0.99 N ATOM 1502 CA ALA A 95 -12.832 -4.302 10.971 1.00 0.98 C ATOM 1503 C ALA A 95 -12.572 -5.459 11.950 1.00 0.96 C ATOM 1504 O ALA A 95 -13.516 -6.103 12.408 1.00 1.10 O ATOM 1505 CB ALA A 95 -13.290 -3.015 11.669 1.00 1.19 C ATOM 0 H ALA A 95 -14.763 -4.295 10.150 1.00 0.99 H new ATOM 0 HA ALA A 95 -11.894 -4.062 10.470 1.00 0.98 H new ATOM 0 HB1 ALA A 95 -12.525 -2.692 12.374 1.00 1.19 H new ATOM 0 HB2 ALA A 95 -13.451 -2.235 10.925 1.00 1.19 H new ATOM 0 HB3 ALA A 95 -14.221 -3.203 12.204 1.00 1.19 H new ATOM 1511 N GLY A 96 -11.297 -5.738 12.209 1.00 0.90 N ATOM 1512 CA GLY A 96 -10.821 -6.835 13.065 1.00 0.96 C ATOM 1513 C GLY A 96 -10.381 -8.105 12.324 1.00 0.97 C ATOM 1514 O GLY A 96 -10.380 -9.170 12.938 1.00 1.23 O ATOM 0 H GLY A 96 -10.533 -5.188 11.816 1.00 0.90 H new ATOM 0 HA2 GLY A 96 -9.982 -6.472 13.659 1.00 0.96 H new ATOM 0 HA3 GLY A 96 -11.615 -7.099 13.763 1.00 0.96 H new ATOM 1518 N GLU A 97 -10.027 -8.025 11.034 1.00 0.90 N ATOM 1519 CA GLU A 97 -9.370 -9.124 10.296 1.00 0.89 C ATOM 1520 C GLU A 97 -7.874 -8.840 10.058 1.00 0.84 C ATOM 1521 O GLU A 97 -7.351 -7.835 10.533 1.00 0.82 O ATOM 1522 CB GLU A 97 -10.118 -9.429 8.979 1.00 0.84 C ATOM 1523 CG GLU A 97 -11.519 -9.975 9.289 1.00 1.09 C ATOM 1524 CD GLU A 97 -12.268 -10.517 8.074 1.00 0.98 C ATOM 1525 OE1 GLU A 97 -11.853 -11.539 7.486 1.00 1.86 O ATOM 1526 OE2 GLU A 97 -13.339 -9.964 7.751 1.00 1.86 O ATOM 0 H GLU A 97 -10.187 -7.193 10.466 1.00 0.90 H new ATOM 0 HA GLU A 97 -9.421 -10.018 10.917 1.00 0.89 H new ATOM 0 HB2 GLU A 97 -10.196 -8.524 8.377 1.00 0.84 H new ATOM 0 HB3 GLU A 97 -9.557 -10.156 8.391 1.00 0.84 H new ATOM 0 HG2 GLU A 97 -11.430 -10.769 10.030 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -12.113 -9.181 9.742 1.00 1.09 H new ATOM 1533 N GLU A 98 -7.202 -9.716 9.311 1.00 0.88 N ATOM 1534 CA GLU A 98 -5.766 -9.836 9.078 1.00 0.85 C ATOM 1535 C GLU A 98 -5.631 -10.359 7.653 1.00 0.83 C ATOM 1536 O GLU A 98 -6.355 -11.281 7.270 1.00 1.00 O ATOM 1537 CB GLU A 98 -5.138 -10.849 10.059 1.00 0.96 C ATOM 1538 CG GLU A 98 -4.506 -10.192 11.291 1.00 2.72 C ATOM 1539 CD GLU A 98 -3.085 -9.712 11.003 1.00 4.13 C ATOM 1540 OE1 GLU A 98 -2.945 -8.775 10.185 1.00 5.58 O ATOM 1541 OE2 GLU A 98 -2.151 -10.290 11.597 1.00 4.46 O ATOM 0 H GLU A 98 -7.709 -10.438 8.799 1.00 0.88 H new ATOM 0 HA GLU A 98 -5.258 -8.882 9.224 1.00 0.85 H new ATOM 0 HB2 GLU A 98 -5.905 -11.552 10.384 1.00 0.96 H new ATOM 0 HB3 GLU A 98 -4.377 -11.428 9.535 1.00 0.96 H new ATOM 0 HG2 GLU A 98 -5.119 -9.348 11.609 1.00 2.72 H new ATOM 0 HG3 GLU A 98 -4.490 -10.904 12.116 1.00 2.72 H new ATOM 1548 N VAL A 99 -4.774 -9.727 6.859 1.00 0.76 N ATOM 1549 CA VAL A 99 -4.632 -9.995 5.419 1.00 0.69 C ATOM 1550 C VAL A 99 -3.160 -9.955 4.996 1.00 0.66 C ATOM 1551 O VAL A 99 -2.441 -8.993 5.268 1.00 0.81 O ATOM 1552 CB VAL A 99 -5.503 -9.010 4.598 1.00 0.73 C ATOM 1553 CG1 VAL A 99 -5.134 -8.978 3.106 1.00 0.95 C ATOM 1554 CG2 VAL A 99 -7.001 -9.371 4.706 1.00 0.79 C ATOM 0 H VAL A 99 -4.144 -9.000 7.197 1.00 0.76 H new ATOM 0 HA VAL A 99 -4.993 -11.003 5.213 1.00 0.69 H new ATOM 0 HB VAL A 99 -5.309 -8.027 5.028 1.00 0.73 H new ATOM 0 HG11 VAL A 99 -5.780 -8.270 2.587 1.00 0.95 H new ATOM 0 HG12 VAL A 99 -4.094 -8.670 2.995 1.00 0.95 H new ATOM 0 HG13 VAL A 99 -5.266 -9.971 2.677 1.00 0.95 H new ATOM 0 HG21 VAL A 99 -7.589 -8.664 4.121 1.00 0.79 H new ATOM 0 HG22 VAL A 99 -7.161 -10.379 4.324 1.00 0.79 H new ATOM 0 HG23 VAL A 99 -7.312 -9.325 5.750 1.00 0.79 H new ATOM 1564 N GLU A 100 -2.740 -10.997 4.274 1.00 0.61 N ATOM 1565 CA GLU A 100 -1.395 -11.126 3.719 1.00 0.61 C ATOM 1566 C GLU A 100 -1.246 -10.225 2.486 1.00 0.58 C ATOM 1567 O GLU A 100 -2.169 -10.143 1.672 1.00 0.59 O ATOM 1568 CB GLU A 100 -1.127 -12.575 3.272 1.00 0.81 C ATOM 1569 CG GLU A 100 -1.250 -13.669 4.347 1.00 1.52 C ATOM 1570 CD GLU A 100 -0.873 -15.036 3.760 1.00 1.61 C ATOM 1571 OE1 GLU A 100 -1.229 -15.303 2.587 1.00 2.00 O ATOM 1572 OE2 GLU A 100 -0.102 -15.797 4.388 1.00 2.71 O ATOM 0 H GLU A 100 -3.341 -11.791 4.055 1.00 0.61 H new ATOM 0 HA GLU A 100 -0.688 -10.837 4.496 1.00 0.61 H new ATOM 0 HB2 GLU A 100 -1.818 -12.814 2.464 1.00 0.81 H new ATOM 0 HB3 GLU A 100 -0.121 -12.621 2.855 1.00 0.81 H new ATOM 0 HG2 GLU A 100 -0.599 -13.435 5.190 1.00 1.52 H new ATOM 0 HG3 GLU A 100 -2.270 -13.699 4.730 1.00 1.52 H new ATOM 1579 N LEU A 101 -0.079 -9.593 2.307 1.00 0.63 N ATOM 1580 CA LEU A 101 0.300 -8.915 1.062 1.00 0.58 C ATOM 1581 C LEU A 101 1.669 -9.370 0.557 1.00 0.60 C ATOM 1582 O LEU A 101 2.635 -9.465 1.306 1.00 0.75 O ATOM 1583 CB LEU A 101 0.268 -7.376 1.208 1.00 0.64 C ATOM 1584 CG LEU A 101 -1.089 -6.772 0.777 1.00 0.93 C ATOM 1585 CD1 LEU A 101 -2.099 -6.715 1.924 1.00 1.76 C ATOM 1586 CD2 LEU A 101 -0.938 -5.355 0.214 1.00 1.59 C ATOM 0 H LEU A 101 0.637 -9.538 3.032 1.00 0.63 H new ATOM 0 HA LEU A 101 -0.446 -9.200 0.321 1.00 0.58 H new ATOM 0 HB2 LEU A 101 0.469 -7.108 2.245 1.00 0.64 H new ATOM 0 HB3 LEU A 101 1.065 -6.940 0.606 1.00 0.64 H new ATOM 0 HG LEU A 101 -1.459 -7.442 0.001 1.00 0.93 H new ATOM 0 HD11 LEU A 101 -3.033 -6.283 1.565 1.00 1.76 H new ATOM 0 HD12 LEU A 101 -2.285 -7.723 2.296 1.00 1.76 H new ATOM 0 HD13 LEU A 101 -1.700 -6.099 2.730 1.00 1.76 H new ATOM 0 HD21 LEU A 101 -1.917 -4.972 -0.075 1.00 1.59 H new ATOM 0 HD22 LEU A 101 -0.505 -4.706 0.975 1.00 1.59 H new ATOM 0 HD23 LEU A 101 -0.285 -5.378 -0.659 1.00 1.59 H new ATOM 1598 N ASP A 102 1.747 -9.595 -0.744 1.00 0.57 N ATOM 1599 CA ASP A 102 2.952 -9.906 -1.517 1.00 0.61 C ATOM 1600 C ASP A 102 3.577 -8.599 -2.034 1.00 0.57 C ATOM 1601 O ASP A 102 2.853 -7.753 -2.559 1.00 0.72 O ATOM 1602 CB ASP A 102 2.518 -10.765 -2.713 1.00 0.82 C ATOM 1603 CG ASP A 102 1.754 -12.036 -2.327 1.00 1.41 C ATOM 1604 OD1 ASP A 102 2.409 -12.965 -1.807 1.00 1.72 O ATOM 1605 OD2 ASP A 102 0.526 -12.066 -2.589 1.00 2.54 O ATOM 0 H ASP A 102 0.916 -9.565 -1.335 1.00 0.57 H new ATOM 0 HA ASP A 102 3.683 -10.431 -0.902 1.00 0.61 H new ATOM 0 HB2 ASP A 102 1.891 -10.163 -3.370 1.00 0.82 H new ATOM 0 HB3 ASP A 102 3.402 -11.045 -3.285 1.00 0.82 H new ATOM 1610 N LEU A 103 4.894 -8.405 -1.921 1.00 0.55 N ATOM 1611 CA LEU A 103 5.598 -7.229 -2.430 1.00 0.53 C ATOM 1612 C LEU A 103 6.365 -7.587 -3.702 1.00 0.57 C ATOM 1613 O LEU A 103 7.285 -8.404 -3.675 1.00 0.72 O ATOM 1614 CB LEU A 103 6.547 -6.708 -1.340 1.00 0.62 C ATOM 1615 CG LEU A 103 5.833 -5.874 -0.261 1.00 0.70 C ATOM 1616 CD1 LEU A 103 4.938 -6.686 0.679 1.00 0.73 C ATOM 1617 CD2 LEU A 103 6.879 -5.132 0.579 1.00 0.93 C ATOM 0 H LEU A 103 5.511 -9.076 -1.464 1.00 0.55 H new ATOM 0 HA LEU A 103 4.883 -6.446 -2.682 1.00 0.53 H new ATOM 0 HB2 LEU A 103 7.044 -7.554 -0.866 1.00 0.62 H new ATOM 0 HB3 LEU A 103 7.324 -6.101 -1.804 1.00 0.62 H new ATOM 0 HG LEU A 103 5.178 -5.188 -0.799 1.00 0.70 H new ATOM 0 HD11 LEU A 103 4.475 -6.019 1.407 1.00 0.73 H new ATOM 0 HD12 LEU A 103 4.162 -7.187 0.100 1.00 0.73 H new ATOM 0 HD13 LEU A 103 5.539 -7.431 1.200 1.00 0.73 H new ATOM 0 HD21 LEU A 103 6.377 -4.540 1.345 1.00 0.93 H new ATOM 0 HD22 LEU A 103 7.542 -5.854 1.055 1.00 0.93 H new ATOM 0 HD23 LEU A 103 7.462 -4.474 -0.065 1.00 0.93 H new ATOM 1629 N LEU A 104 6.010 -6.948 -4.818 1.00 0.56 N ATOM 1630 CA LEU A 104 6.641 -7.171 -6.117 1.00 0.65 C ATOM 1631 C LEU A 104 7.812 -6.194 -6.265 1.00 0.60 C ATOM 1632 O LEU A 104 7.637 -4.996 -6.524 1.00 0.60 O ATOM 1633 CB LEU A 104 5.588 -7.039 -7.238 1.00 0.68 C ATOM 1634 CG LEU A 104 4.363 -7.976 -7.111 1.00 0.75 C ATOM 1635 CD1 LEU A 104 3.427 -7.793 -8.314 1.00 0.85 C ATOM 1636 CD2 LEU A 104 4.756 -9.457 -7.002 1.00 0.88 C ATOM 0 H LEU A 104 5.265 -6.251 -4.844 1.00 0.56 H new ATOM 0 HA LEU A 104 7.044 -8.181 -6.193 1.00 0.65 H new ATOM 0 HB2 LEU A 104 5.235 -6.008 -7.262 1.00 0.68 H new ATOM 0 HB3 LEU A 104 6.074 -7.232 -8.194 1.00 0.68 H new ATOM 0 HG LEU A 104 3.855 -7.698 -6.188 1.00 0.75 H new ATOM 0 HD11 LEU A 104 2.569 -8.458 -8.212 1.00 0.85 H new ATOM 0 HD12 LEU A 104 3.082 -6.760 -8.353 1.00 0.85 H new ATOM 0 HD13 LEU A 104 3.964 -8.031 -9.232 1.00 0.85 H new ATOM 0 HD21 LEU A 104 3.857 -10.067 -6.915 1.00 0.88 H new ATOM 0 HD22 LEU A 104 5.310 -9.753 -7.893 1.00 0.88 H new ATOM 0 HD23 LEU A 104 5.380 -9.604 -6.121 1.00 0.88 H new ATOM 1648 N PHE A 105 9.026 -6.705 -6.066 1.00 0.61 N ATOM 1649 CA PHE A 105 10.251 -5.918 -6.137 1.00 0.62 C ATOM 1650 C PHE A 105 10.858 -5.958 -7.547 1.00 0.73 C ATOM 1651 O PHE A 105 10.853 -6.993 -8.218 1.00 1.05 O ATOM 1652 CB PHE A 105 11.245 -6.421 -5.086 1.00 0.75 C ATOM 1653 CG PHE A 105 10.760 -6.281 -3.657 1.00 0.84 C ATOM 1654 CD1 PHE A 105 10.602 -4.999 -3.093 1.00 1.49 C ATOM 1655 CD2 PHE A 105 10.490 -7.422 -2.874 1.00 2.37 C ATOM 1656 CE1 PHE A 105 10.226 -4.859 -1.747 1.00 1.42 C ATOM 1657 CE2 PHE A 105 10.136 -7.273 -1.529 1.00 2.55 C ATOM 1658 CZ PHE A 105 10.014 -6.001 -0.959 1.00 1.18 C ATOM 0 H PHE A 105 9.186 -7.689 -5.849 1.00 0.61 H new ATOM 0 HA PHE A 105 10.013 -4.876 -5.923 1.00 0.62 H new ATOM 0 HB2 PHE A 105 11.465 -7.470 -5.282 1.00 0.75 H new ATOM 0 HB3 PHE A 105 12.181 -5.873 -5.196 1.00 0.75 H new ATOM 0 HD1 PHE A 105 10.771 -4.121 -3.698 1.00 1.49 H new ATOM 0 HD2 PHE A 105 10.556 -8.407 -3.311 1.00 2.37 H new ATOM 0 HE1 PHE A 105 10.100 -3.875 -1.319 1.00 1.42 H new ATOM 0 HE2 PHE A 105 9.955 -8.149 -0.924 1.00 2.55 H new ATOM 0 HZ PHE A 105 9.757 -5.898 0.085 1.00 1.18 H new ATOM 1668 N ALA A 106 11.417 -4.825 -7.984 1.00 0.65 N ATOM 1669 CA ALA A 106 11.955 -4.631 -9.331 1.00 0.87 C ATOM 1670 C ALA A 106 12.932 -5.748 -9.730 1.00 1.16 C ATOM 1671 O ALA A 106 13.928 -5.997 -9.043 1.00 1.59 O ATOM 1672 CB ALA A 106 12.643 -3.260 -9.412 1.00 1.32 C ATOM 0 H ALA A 106 11.509 -3.998 -7.395 1.00 0.65 H new ATOM 0 HA ALA A 106 11.125 -4.669 -10.036 1.00 0.87 H new ATOM 0 HB1 ALA A 106 13.045 -3.113 -10.415 1.00 1.32 H new ATOM 0 HB2 ALA A 106 11.918 -2.476 -9.193 1.00 1.32 H new ATOM 0 HB3 ALA A 106 13.455 -3.217 -8.686 1.00 1.32 H new ATOM 1678 N GLY A 107 12.655 -6.415 -10.854 1.00 1.75 N ATOM 1679 CA GLY A 107 13.541 -7.432 -11.428 1.00 2.44 C ATOM 1680 C GLY A 107 13.545 -8.763 -10.672 1.00 2.11 C ATOM 1681 O GLY A 107 14.623 -9.287 -10.406 1.00 2.99 O ATOM 0 H GLY A 107 11.804 -6.263 -11.395 1.00 1.75 H new ATOM 0 HA2 GLY A 107 13.244 -7.615 -12.461 1.00 2.44 H new ATOM 0 HA3 GLY A 107 14.557 -7.039 -11.454 1.00 2.44 H new ATOM 1685 N GLY A 108 12.372 -9.309 -10.325 1.00 1.44 N ATOM 1686 CA GLY A 108 12.217 -10.753 -10.069 1.00 1.56 C ATOM 1687 C GLY A 108 12.419 -11.233 -8.631 1.00 1.44 C ATOM 1688 O GLY A 108 12.752 -12.397 -8.436 1.00 1.89 O ATOM 0 H GLY A 108 11.512 -8.773 -10.214 1.00 1.44 H new ATOM 0 HA2 GLY A 108 11.216 -11.047 -10.386 1.00 1.56 H new ATOM 0 HA3 GLY A 108 12.923 -11.287 -10.706 1.00 1.56 H new ATOM 1692 N LYS A 109 12.217 -10.381 -7.618 1.00 1.03 N ATOM 1693 CA LYS A 109 12.139 -10.812 -6.211 1.00 1.03 C ATOM 1694 C LYS A 109 10.745 -10.549 -5.626 1.00 0.89 C ATOM 1695 O LYS A 109 10.108 -9.559 -5.979 1.00 0.92 O ATOM 1696 CB LYS A 109 13.210 -10.096 -5.368 1.00 1.07 C ATOM 1697 CG LYS A 109 14.635 -10.534 -5.739 1.00 1.53 C ATOM 1698 CD LYS A 109 15.552 -9.375 -6.163 1.00 2.01 C ATOM 1699 CE LYS A 109 14.992 -8.691 -7.415 1.00 3.46 C ATOM 1700 NZ LYS A 109 15.877 -7.623 -7.930 1.00 3.90 N ATOM 0 H LYS A 109 12.103 -9.376 -7.747 1.00 1.03 H new ATOM 0 HA LYS A 109 12.324 -11.886 -6.181 1.00 1.03 H new ATOM 0 HB2 LYS A 109 13.116 -9.019 -5.505 1.00 1.07 H new ATOM 0 HB3 LYS A 109 13.033 -10.299 -4.312 1.00 1.07 H new ATOM 0 HG2 LYS A 109 15.082 -11.044 -4.886 1.00 1.53 H new ATOM 0 HG3 LYS A 109 14.582 -11.259 -6.552 1.00 1.53 H new ATOM 0 HD2 LYS A 109 15.637 -8.652 -5.351 1.00 2.01 H new ATOM 0 HD3 LYS A 109 16.556 -9.750 -6.362 1.00 2.01 H new ATOM 0 HE2 LYS A 109 14.840 -9.438 -8.194 1.00 3.46 H new ATOM 0 HE3 LYS A 109 14.014 -8.267 -7.185 1.00 3.46 H new ATOM 0 HZ1 LYS A 109 15.307 -6.909 -8.426 1.00 3.90 H new ATOM 0 HZ2 LYS A 109 16.379 -7.175 -7.137 1.00 3.90 H new ATOM 0 HZ3 LYS A 109 16.568 -8.033 -8.590 1.00 3.90 H new ATOM 1714 N VAL A 110 10.317 -11.405 -4.697 1.00 0.84 N ATOM 1715 CA VAL A 110 9.038 -11.300 -3.989 1.00 0.76 C ATOM 1716 C VAL A 110 9.198 -11.671 -2.513 1.00 0.80 C ATOM 1717 O VAL A 110 10.088 -12.452 -2.170 1.00 0.90 O ATOM 1718 CB VAL A 110 7.956 -12.154 -4.699 1.00 0.87 C ATOM 1719 CG1 VAL A 110 8.228 -13.665 -4.593 1.00 1.78 C ATOM 1720 CG2 VAL A 110 6.529 -11.847 -4.216 1.00 1.83 C ATOM 0 H VAL A 110 10.866 -12.214 -4.407 1.00 0.84 H new ATOM 0 HA VAL A 110 8.703 -10.263 -4.017 1.00 0.76 H new ATOM 0 HB VAL A 110 8.023 -11.865 -5.748 1.00 0.87 H new ATOM 0 HG11 VAL A 110 7.439 -14.214 -5.108 1.00 1.78 H new ATOM 0 HG12 VAL A 110 9.189 -13.895 -5.053 1.00 1.78 H new ATOM 0 HG13 VAL A 110 8.249 -13.958 -3.543 1.00 1.78 H new ATOM 0 HG21 VAL A 110 5.820 -12.478 -4.752 1.00 1.83 H new ATOM 0 HG22 VAL A 110 6.456 -12.046 -3.147 1.00 1.83 H new ATOM 0 HG23 VAL A 110 6.298 -10.799 -4.406 1.00 1.83 H new ATOM 1730 N LEU A 111 8.349 -11.095 -1.657 1.00 0.76 N ATOM 1731 CA LEU A 111 8.313 -11.310 -0.205 1.00 0.84 C ATOM 1732 C LEU A 111 6.906 -11.002 0.325 1.00 0.70 C ATOM 1733 O LEU A 111 6.302 -10.021 -0.099 1.00 0.83 O ATOM 1734 CB LEU A 111 9.347 -10.370 0.435 1.00 0.99 C ATOM 1735 CG LEU A 111 9.764 -10.655 1.886 1.00 1.29 C ATOM 1736 CD1 LEU A 111 10.431 -12.030 2.032 1.00 2.48 C ATOM 1737 CD2 LEU A 111 10.750 -9.550 2.295 1.00 1.83 C ATOM 0 H LEU A 111 7.636 -10.436 -1.970 1.00 0.76 H new ATOM 0 HA LEU A 111 8.550 -12.345 0.040 1.00 0.84 H new ATOM 0 HB2 LEU A 111 10.245 -10.388 -0.182 1.00 0.99 H new ATOM 0 HB3 LEU A 111 8.951 -9.355 0.392 1.00 0.99 H new ATOM 0 HG LEU A 111 8.881 -10.665 2.525 1.00 1.29 H new ATOM 0 HD11 LEU A 111 10.710 -12.190 3.073 1.00 2.48 H new ATOM 0 HD12 LEU A 111 9.734 -12.808 1.719 1.00 2.48 H new ATOM 0 HD13 LEU A 111 11.323 -12.070 1.407 1.00 2.48 H new ATOM 0 HD21 LEU A 111 11.074 -9.713 3.323 1.00 1.83 H new ATOM 0 HD22 LEU A 111 11.616 -9.572 1.634 1.00 1.83 H new ATOM 0 HD23 LEU A 111 10.260 -8.579 2.219 1.00 1.83 H new ATOM 1749 N LYS A 112 6.373 -11.816 1.238 1.00 0.79 N ATOM 1750 CA LYS A 112 4.980 -11.688 1.692 1.00 0.86 C ATOM 1751 C LYS A 112 4.877 -11.188 3.148 1.00 0.89 C ATOM 1752 O LYS A 112 5.291 -11.895 4.064 1.00 1.34 O ATOM 1753 CB LYS A 112 4.262 -13.033 1.458 1.00 1.14 C ATOM 1754 CG LYS A 112 2.736 -12.881 1.534 1.00 1.90 C ATOM 1755 CD LYS A 112 1.983 -14.171 1.185 1.00 1.91 C ATOM 1756 CE LYS A 112 2.158 -15.239 2.267 1.00 1.50 C ATOM 1757 NZ LYS A 112 1.219 -16.364 2.069 1.00 1.96 N ATOM 0 H LYS A 112 6.886 -12.577 1.682 1.00 0.79 H new ATOM 0 HA LYS A 112 4.477 -10.918 1.106 1.00 0.86 H new ATOM 0 HB2 LYS A 112 4.540 -13.429 0.482 1.00 1.14 H new ATOM 0 HB3 LYS A 112 4.593 -13.757 2.202 1.00 1.14 H new ATOM 0 HG2 LYS A 112 2.458 -12.566 2.540 1.00 1.90 H new ATOM 0 HG3 LYS A 112 2.422 -12.089 0.854 1.00 1.90 H new ATOM 0 HD2 LYS A 112 0.923 -13.951 1.059 1.00 1.91 H new ATOM 0 HD3 LYS A 112 2.344 -14.556 0.231 1.00 1.91 H new ATOM 0 HE2 LYS A 112 3.183 -15.611 2.252 1.00 1.50 H new ATOM 0 HE3 LYS A 112 1.995 -14.795 3.249 1.00 1.50 H new ATOM 0 HZ1 LYS A 112 1.139 -16.909 2.951 1.00 1.96 H new ATOM 0 HZ2 LYS A 112 0.284 -15.993 1.805 1.00 1.96 H new ATOM 0 HZ3 LYS A 112 1.573 -16.982 1.311 1.00 1.96 H new ATOM 1771 N VAL A 113 4.304 -10.003 3.353 1.00 0.86 N ATOM 1772 CA VAL A 113 3.951 -9.421 4.669 1.00 0.92 C ATOM 1773 C VAL A 113 2.530 -9.824 5.104 1.00 0.78 C ATOM 1774 O VAL A 113 1.813 -10.471 4.341 1.00 0.81 O ATOM 1775 CB VAL A 113 4.081 -7.875 4.668 1.00 1.09 C ATOM 1776 CG1 VAL A 113 5.538 -7.461 4.418 1.00 2.19 C ATOM 1777 CG2 VAL A 113 3.131 -7.196 3.675 1.00 2.30 C ATOM 0 H VAL A 113 4.058 -9.386 2.579 1.00 0.86 H new ATOM 0 HA VAL A 113 4.663 -9.826 5.388 1.00 0.92 H new ATOM 0 HB VAL A 113 3.781 -7.528 5.657 1.00 1.09 H new ATOM 0 HG11 VAL A 113 5.613 -6.374 4.420 1.00 2.19 H new ATOM 0 HG12 VAL A 113 6.172 -7.870 5.204 1.00 2.19 H new ATOM 0 HG13 VAL A 113 5.865 -7.845 3.452 1.00 2.19 H new ATOM 0 HG21 VAL A 113 3.269 -6.116 3.720 1.00 2.30 H new ATOM 0 HG22 VAL A 113 3.347 -7.547 2.666 1.00 2.30 H new ATOM 0 HG23 VAL A 113 2.100 -7.442 3.931 1.00 2.30 H new ATOM 1787 N VAL A 114 2.104 -9.394 6.295 1.00 0.99 N ATOM 1788 CA VAL A 114 0.725 -9.513 6.793 1.00 0.98 C ATOM 1789 C VAL A 114 0.369 -8.250 7.587 1.00 0.97 C ATOM 1790 O VAL A 114 1.257 -7.640 8.184 1.00 1.21 O ATOM 1791 CB VAL A 114 0.531 -10.817 7.608 1.00 1.13 C ATOM 1792 CG1 VAL A 114 1.306 -10.818 8.937 1.00 2.32 C ATOM 1793 CG2 VAL A 114 -0.953 -11.127 7.848 1.00 2.38 C ATOM 0 H VAL A 114 2.727 -8.939 6.962 1.00 0.99 H new ATOM 0 HA VAL A 114 0.034 -9.588 5.953 1.00 0.98 H new ATOM 0 HB VAL A 114 0.952 -11.612 6.993 1.00 1.13 H new ATOM 0 HG11 VAL A 114 1.129 -11.757 9.461 1.00 2.32 H new ATOM 0 HG12 VAL A 114 2.372 -10.709 8.737 1.00 2.32 H new ATOM 0 HG13 VAL A 114 0.967 -9.988 9.557 1.00 2.32 H new ATOM 0 HG21 VAL A 114 -1.044 -12.049 8.423 1.00 2.38 H new ATOM 0 HG22 VAL A 114 -1.411 -10.307 8.402 1.00 2.38 H new ATOM 0 HG23 VAL A 114 -1.460 -11.245 6.890 1.00 2.38 H new ATOM 1803 N LEU A 115 -0.895 -7.808 7.518 1.00 0.84 N ATOM 1804 CA LEU A 115 -1.370 -6.574 8.153 1.00 0.86 C ATOM 1805 C LEU A 115 -2.892 -6.578 8.425 1.00 0.96 C ATOM 1806 O LEU A 115 -3.644 -7.085 7.578 1.00 1.19 O ATOM 1807 CB LEU A 115 -0.949 -5.320 7.357 1.00 1.24 C ATOM 1808 CG LEU A 115 -1.089 -5.390 5.821 1.00 1.13 C ATOM 1809 CD1 LEU A 115 -1.565 -4.046 5.257 1.00 2.27 C ATOM 1810 CD2 LEU A 115 0.264 -5.726 5.186 1.00 1.64 C ATOM 0 H LEU A 115 -1.626 -8.307 7.011 1.00 0.84 H new ATOM 0 HA LEU A 115 -0.881 -6.534 9.126 1.00 0.86 H new ATOM 0 HB2 LEU A 115 -1.541 -4.477 7.714 1.00 1.24 H new ATOM 0 HB3 LEU A 115 0.092 -5.101 7.593 1.00 1.24 H new ATOM 0 HG LEU A 115 -1.820 -6.164 5.587 1.00 1.13 H new ATOM 0 HD11 LEU A 115 -1.657 -4.118 4.173 1.00 2.27 H new ATOM 0 HD12 LEU A 115 -2.534 -3.794 5.687 1.00 2.27 H new ATOM 0 HD13 LEU A 115 -0.843 -3.269 5.509 1.00 2.27 H new ATOM 0 HD21 LEU A 115 0.156 -5.773 4.102 1.00 1.64 H new ATOM 0 HD22 LEU A 115 0.989 -4.954 5.445 1.00 1.64 H new ATOM 0 HD23 LEU A 115 0.611 -6.690 5.558 1.00 1.64 H new ATOM 1822 N PRO A 116 -3.351 -5.985 9.550 1.00 0.88 N ATOM 1823 CA PRO A 116 -4.745 -6.021 9.980 1.00 0.82 C ATOM 1824 C PRO A 116 -5.668 -5.199 9.080 1.00 0.80 C ATOM 1825 O PRO A 116 -5.239 -4.261 8.416 1.00 0.90 O ATOM 1826 CB PRO A 116 -4.763 -5.523 11.429 1.00 0.80 C ATOM 1827 CG PRO A 116 -3.504 -4.668 11.524 1.00 0.76 C ATOM 1828 CD PRO A 116 -2.537 -5.428 10.621 1.00 0.76 C ATOM 0 HA PRO A 116 -5.134 -7.037 9.909 1.00 0.82 H new ATOM 0 HB2 PRO A 116 -5.660 -4.942 11.643 1.00 0.80 H new ATOM 0 HB3 PRO A 116 -4.742 -6.350 12.139 1.00 0.80 H new ATOM 0 HG2 PRO A 116 -3.675 -3.650 11.174 1.00 0.76 H new ATOM 0 HG3 PRO A 116 -3.136 -4.596 12.547 1.00 0.76 H new ATOM 0 HD2 PRO A 116 -1.769 -4.764 10.224 1.00 0.76 H new ATOM 0 HD3 PRO A 116 -2.024 -6.216 11.172 1.00 0.76 H new ATOM 1836 N VAL A 117 -6.953 -5.544 9.089 1.00 0.73 N ATOM 1837 CA VAL A 117 -8.031 -4.839 8.382 1.00 0.72 C ATOM 1838 C VAL A 117 -8.881 -4.063 9.397 1.00 0.83 C ATOM 1839 O VAL A 117 -9.421 -4.668 10.322 1.00 0.88 O ATOM 1840 CB VAL A 117 -8.938 -5.826 7.610 1.00 0.71 C ATOM 1841 CG1 VAL A 117 -9.880 -5.061 6.668 1.00 0.90 C ATOM 1842 CG2 VAL A 117 -8.167 -6.866 6.780 1.00 0.68 C ATOM 0 H VAL A 117 -7.290 -6.354 9.609 1.00 0.73 H new ATOM 0 HA VAL A 117 -7.577 -4.156 7.664 1.00 0.72 H new ATOM 0 HB VAL A 117 -9.494 -6.365 8.377 1.00 0.71 H new ATOM 0 HG11 VAL A 117 -10.512 -5.769 6.132 1.00 0.90 H new ATOM 0 HG12 VAL A 117 -10.506 -4.384 7.250 1.00 0.90 H new ATOM 0 HG13 VAL A 117 -9.291 -4.486 5.953 1.00 0.90 H new ATOM 0 HG21 VAL A 117 -8.874 -7.520 6.269 1.00 0.68 H new ATOM 0 HG22 VAL A 117 -7.547 -6.356 6.043 1.00 0.68 H new ATOM 0 HG23 VAL A 117 -7.533 -7.460 7.439 1.00 0.68 H new ATOM 1852 N GLU A 118 -9.043 -2.752 9.196 1.00 1.00 N ATOM 1853 CA GLU A 118 -9.866 -1.843 10.007 1.00 1.19 C ATOM 1854 C GLU A 118 -10.473 -0.739 9.130 1.00 1.23 C ATOM 1855 O GLU A 118 -9.956 -0.437 8.057 1.00 1.28 O ATOM 1856 CB GLU A 118 -9.072 -1.234 11.174 1.00 1.43 C ATOM 1857 CG GLU A 118 -8.681 -2.291 12.216 1.00 1.98 C ATOM 1858 CD GLU A 118 -8.349 -1.659 13.560 1.00 2.65 C ATOM 1859 OE1 GLU A 118 -7.497 -0.745 13.574 1.00 3.16 O ATOM 1860 OE2 GLU A 118 -8.986 -2.084 14.549 1.00 3.85 O ATOM 0 H GLU A 118 -8.581 -2.269 8.425 1.00 1.00 H new ATOM 0 HA GLU A 118 -10.674 -2.433 10.439 1.00 1.19 H new ATOM 0 HB2 GLU A 118 -8.172 -0.754 10.789 1.00 1.43 H new ATOM 0 HB3 GLU A 118 -9.668 -0.457 11.652 1.00 1.43 H new ATOM 0 HG2 GLU A 118 -9.499 -3.001 12.339 1.00 1.98 H new ATOM 0 HG3 GLU A 118 -7.821 -2.856 11.857 1.00 1.98 H new ATOM 1867 N ALA A 119 -11.599 -0.161 9.559 1.00 1.59 N ATOM 1868 CA ALA A 119 -12.461 0.679 8.723 1.00 1.85 C ATOM 1869 C ALA A 119 -12.471 2.154 9.161 1.00 2.10 C ATOM 1870 O ALA A 119 -12.772 2.439 10.320 1.00 2.74 O ATOM 1871 CB ALA A 119 -13.878 0.092 8.807 1.00 2.62 C ATOM 0 H ALA A 119 -11.943 -0.266 10.514 1.00 1.59 H new ATOM 0 HA ALA A 119 -12.079 0.675 7.702 1.00 1.85 H new ATOM 0 HB1 ALA A 119 -14.556 0.689 8.197 1.00 2.62 H new ATOM 0 HB2 ALA A 119 -13.869 -0.935 8.441 1.00 2.62 H new ATOM 0 HB3 ALA A 119 -14.216 0.105 9.843 1.00 2.62 H new ATOM 1877 N ARG A 120 -12.248 3.089 8.218 1.00 2.26 N ATOM 1878 CA ARG A 120 -12.464 4.550 8.359 1.00 2.82 C ATOM 1879 C ARG A 120 -12.498 5.259 6.999 1.00 3.35 C ATOM 1880 O ARG A 120 -12.842 6.461 6.932 1.00 4.31 O ATOM 1881 CB ARG A 120 -11.446 5.170 9.351 1.00 3.20 C ATOM 1882 CG ARG A 120 -10.021 5.400 8.794 1.00 3.71 C ATOM 1883 CD ARG A 120 -9.642 6.891 8.711 1.00 4.76 C ATOM 1884 NE ARG A 120 -10.646 7.647 7.948 1.00 5.62 N ATOM 1885 CZ ARG A 120 -11.140 8.843 8.164 1.00 6.55 C ATOM 1886 NH1 ARG A 120 -10.510 9.753 8.849 1.00 6.93 N ATOM 1887 NH2 ARG A 120 -12.313 9.105 7.675 1.00 7.64 N ATOM 1888 OXT ARG A 120 -12.049 4.659 6.005 1.00 3.66 O ATOM 0 H ARG A 120 -11.896 2.840 7.293 1.00 2.26 H new ATOM 0 HA ARG A 120 -13.452 4.706 8.792 1.00 2.82 H new ATOM 0 HB2 ARG A 120 -11.840 6.126 9.697 1.00 3.20 H new ATOM 0 HB3 ARG A 120 -11.375 4.520 10.223 1.00 3.20 H new ATOM 0 HG2 ARG A 120 -9.301 4.882 9.428 1.00 3.71 H new ATOM 0 HG3 ARG A 120 -9.949 4.956 7.801 1.00 3.71 H new ATOM 0 HD2 ARG A 120 -9.556 7.305 9.716 1.00 4.76 H new ATOM 0 HD3 ARG A 120 -8.665 6.996 8.238 1.00 4.76 H new ATOM 0 HE ARG A 120 -11.014 7.169 7.126 1.00 5.62 H new ATOM 0 HH11 ARG A 120 -9.592 9.550 9.244 1.00 6.93 H new ATOM 0 HH12 ARG A 120 -10.934 10.670 8.991 1.00 6.93 H new ATOM 0 HH21 ARG A 120 -12.815 8.393 7.145 1.00 7.64 H new ATOM 0 HH22 ARG A 120 -12.733 10.023 7.820 1.00 7.64 H new