USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 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 : +bothHN:sc= -0.0116 K(o=-0.23,f=-5.2!) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.216 X(o=-0.23,f=-0.72) USER MOD Single : A 11 SER OG : rot 63:sc= 1.27 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0538 F(o=-1.1,f=-0.054) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot -73:sc= 1.05 USER MOD Single : A 24 ASN : amide:sc= 0.119 K(o=0.12,f=-6.9!) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.337 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 171:sc=-0.00443 (180deg=-0.139) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= 0.519 (180deg=-2.02!) USER MOD Single : A 57 LYS NZ :NH3+ -111:sc= 1.22 (180deg=-0.451) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -171:sc= 0 (180deg=-0.138) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 0.4 (180deg=0.182) USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= 1.18 (180deg=-0.0561) 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+ 143:sc= 1.22 (180deg=0.131) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.915) USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.17) USER MOD Single : A 112 LYS NZ :NH3+ -141:sc= 0.745 (180deg=-1.69!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.009 -3.787 10.731 1.00 2.03 N ATOM 56 CA GLU A 5 3.198 -2.643 11.165 1.00 1.14 C ATOM 57 C GLU A 5 2.432 -2.129 9.935 1.00 0.91 C ATOM 58 O GLU A 5 2.956 -1.349 9.135 1.00 1.55 O ATOM 59 CB GLU A 5 4.050 -1.529 11.839 1.00 2.34 C ATOM 60 CG GLU A 5 5.323 -2.037 12.529 1.00 3.41 C ATOM 61 CD GLU A 5 6.193 -0.954 13.172 1.00 4.86 C ATOM 62 OE1 GLU A 5 6.180 0.214 12.731 1.00 5.79 O ATOM 63 OE2 GLU A 5 7.045 -1.324 14.006 1.00 5.70 O ATOM 0 HA GLU A 5 2.497 -2.959 11.937 1.00 1.14 H new ATOM 0 HB2 GLU A 5 4.329 -0.794 11.084 1.00 2.34 H new ATOM 0 HB3 GLU A 5 3.434 -1.012 12.575 1.00 2.34 H new ATOM 0 HG2 GLU A 5 5.038 -2.755 13.298 1.00 3.41 H new ATOM 0 HG3 GLU A 5 5.924 -2.576 11.796 1.00 3.41 H new ATOM 70 N GLY A 6 1.232 -2.659 9.708 1.00 1.05 N ATOM 71 CA GLY A 6 0.323 -2.244 8.640 1.00 0.89 C ATOM 72 C GLY A 6 -1.117 -2.621 8.944 1.00 0.79 C ATOM 73 O GLY A 6 -1.387 -3.362 9.888 1.00 0.95 O ATOM 0 H GLY A 6 0.853 -3.413 10.280 1.00 1.05 H new ATOM 0 HA2 GLY A 6 0.394 -1.165 8.501 1.00 0.89 H new ATOM 0 HA3 GLY A 6 0.629 -2.707 7.702 1.00 0.89 H new ATOM 77 N TRP A 7 -2.050 -2.113 8.138 1.00 0.69 N ATOM 78 CA TRP A 7 -3.478 -2.420 8.233 1.00 0.68 C ATOM 79 C TRP A 7 -4.217 -2.128 6.916 1.00 0.68 C ATOM 80 O TRP A 7 -3.945 -1.122 6.264 1.00 0.93 O ATOM 81 CB TRP A 7 -4.123 -1.693 9.428 1.00 0.76 C ATOM 82 CG TRP A 7 -4.155 -0.193 9.369 1.00 0.75 C ATOM 83 CD1 TRP A 7 -5.247 0.543 9.063 1.00 0.94 C ATOM 84 CD2 TRP A 7 -3.089 0.772 9.643 1.00 1.01 C ATOM 85 NE1 TRP A 7 -4.942 1.886 9.145 1.00 1.27 N ATOM 86 CE2 TRP A 7 -3.615 2.087 9.463 1.00 1.35 C ATOM 87 CE3 TRP A 7 -1.733 0.683 10.035 1.00 1.20 C ATOM 88 CZ2 TRP A 7 -2.835 3.244 9.622 1.00 1.80 C ATOM 89 CZ3 TRP A 7 -0.939 1.834 10.194 1.00 1.64 C ATOM 90 CH2 TRP A 7 -1.484 3.112 9.985 1.00 1.92 C ATOM 0 H TRP A 7 -1.829 -1.462 7.384 1.00 0.69 H new ATOM 0 HA TRP A 7 -3.572 -3.491 8.412 1.00 0.68 H new ATOM 0 HB2 TRP A 7 -5.147 -2.051 9.531 1.00 0.76 H new ATOM 0 HB3 TRP A 7 -3.590 -1.986 10.332 1.00 0.76 H new ATOM 0 HD1 TRP A 7 -6.213 0.140 8.795 1.00 0.94 H new ATOM 0 HE1 TRP A 7 -5.614 2.637 8.990 1.00 1.27 H new ATOM 0 HE3 TRP A 7 -1.298 -0.289 10.216 1.00 1.20 H new ATOM 0 HZ2 TRP A 7 -3.267 4.221 9.467 1.00 1.80 H new ATOM 0 HZ3 TRP A 7 0.098 1.734 10.479 1.00 1.64 H new ATOM 0 HH2 TRP A 7 -0.866 3.990 10.103 1.00 1.92 H new ATOM 101 N VAL A 8 -5.179 -2.971 6.534 1.00 0.65 N ATOM 102 CA VAL A 8 -6.147 -2.644 5.461 1.00 0.78 C ATOM 103 C VAL A 8 -7.234 -1.745 6.065 1.00 0.87 C ATOM 104 O VAL A 8 -7.629 -1.967 7.201 1.00 0.89 O ATOM 105 CB VAL A 8 -6.784 -3.897 4.821 1.00 1.01 C ATOM 106 CG1 VAL A 8 -7.642 -3.563 3.586 1.00 1.20 C ATOM 107 CG2 VAL A 8 -5.737 -4.957 4.430 1.00 1.12 C ATOM 0 H VAL A 8 -5.316 -3.893 6.949 1.00 0.65 H new ATOM 0 HA VAL A 8 -5.614 -2.135 4.658 1.00 0.78 H new ATOM 0 HB VAL A 8 -7.431 -4.308 5.596 1.00 1.01 H new ATOM 0 HG11 VAL A 8 -8.065 -4.481 3.177 1.00 1.20 H new ATOM 0 HG12 VAL A 8 -8.449 -2.889 3.875 1.00 1.20 H new ATOM 0 HG13 VAL A 8 -7.021 -3.082 2.831 1.00 1.20 H new ATOM 0 HG21 VAL A 8 -6.238 -5.817 3.985 1.00 1.12 H new ATOM 0 HG22 VAL A 8 -5.039 -4.531 3.709 1.00 1.12 H new ATOM 0 HG23 VAL A 8 -5.192 -5.275 5.319 1.00 1.12 H new ATOM 117 N ARG A 9 -7.730 -0.749 5.330 1.00 1.01 N ATOM 118 CA ARG A 9 -8.700 0.250 5.816 1.00 1.21 C ATOM 119 C ARG A 9 -10.180 -0.163 5.634 1.00 1.34 C ATOM 120 O ARG A 9 -11.038 0.717 5.631 1.00 2.80 O ATOM 121 CB ARG A 9 -8.364 1.607 5.150 1.00 1.53 C ATOM 122 CG ARG A 9 -8.633 2.857 6.018 1.00 2.28 C ATOM 123 CD ARG A 9 -10.008 3.534 5.916 1.00 2.67 C ATOM 124 NE ARG A 9 -10.238 4.156 4.591 1.00 2.03 N ATOM 125 CZ ARG A 9 -10.987 3.705 3.586 1.00 2.64 C ATOM 126 NH1 ARG A 9 -11.559 2.519 3.579 1.00 3.50 N ATOM 127 NH2 ARG A 9 -11.193 4.472 2.536 1.00 3.64 N ATOM 0 H ARG A 9 -7.466 -0.606 4.355 1.00 1.01 H new ATOM 0 HA ARG A 9 -8.599 0.334 6.898 1.00 1.21 H new ATOM 0 HB2 ARG A 9 -7.312 1.602 4.866 1.00 1.53 H new ATOM 0 HB3 ARG A 9 -8.942 1.694 4.230 1.00 1.53 H new ATOM 0 HG2 ARG A 9 -8.477 2.578 7.060 1.00 2.28 H new ATOM 0 HG3 ARG A 9 -7.877 3.602 5.771 1.00 2.28 H new ATOM 0 HD2 ARG A 9 -10.787 2.797 6.108 1.00 2.67 H new ATOM 0 HD3 ARG A 9 -10.093 4.296 6.691 1.00 2.67 H new ATOM 0 HE ARG A 9 -9.762 5.043 4.427 1.00 2.03 H new ATOM 0 HH11 ARG A 9 -11.439 1.890 4.373 1.00 3.50 H new ATOM 0 HH12 ARG A 9 -12.122 2.229 2.779 1.00 3.50 H new ATOM 0 HH21 ARG A 9 -10.780 5.404 2.496 1.00 3.64 H new ATOM 0 HH22 ARG A 9 -11.765 4.134 1.762 1.00 3.64 H new ATOM 141 N PHE A 10 -10.492 -1.443 5.368 1.00 0.73 N ATOM 142 CA PHE A 10 -11.862 -1.972 5.210 1.00 0.74 C ATOM 143 C PHE A 10 -12.607 -1.392 3.981 1.00 0.92 C ATOM 144 O PHE A 10 -12.223 -0.364 3.419 1.00 1.40 O ATOM 145 CB PHE A 10 -12.634 -1.765 6.540 1.00 0.84 C ATOM 146 CG PHE A 10 -14.143 -1.822 6.464 1.00 0.95 C ATOM 147 CD1 PHE A 10 -14.793 -3.063 6.439 1.00 2.45 C ATOM 148 CD2 PHE A 10 -14.894 -0.635 6.352 1.00 2.26 C ATOM 149 CE1 PHE A 10 -16.186 -3.128 6.276 1.00 2.55 C ATOM 150 CE2 PHE A 10 -16.285 -0.700 6.165 1.00 2.39 C ATOM 151 CZ PHE A 10 -16.934 -1.946 6.127 1.00 1.41 C ATOM 0 H PHE A 10 -9.777 -2.162 5.253 1.00 0.73 H new ATOM 0 HA PHE A 10 -11.799 -3.040 4.999 1.00 0.74 H new ATOM 0 HB2 PHE A 10 -12.300 -2.523 7.249 1.00 0.84 H new ATOM 0 HB3 PHE A 10 -12.350 -0.796 6.951 1.00 0.84 H new ATOM 0 HD1 PHE A 10 -14.221 -3.973 6.545 1.00 2.45 H new ATOM 0 HD2 PHE A 10 -14.401 0.324 6.410 1.00 2.26 H new ATOM 0 HE1 PHE A 10 -16.684 -4.086 6.265 1.00 2.55 H new ATOM 0 HE2 PHE A 10 -16.857 0.209 6.050 1.00 2.39 H new ATOM 0 HZ PHE A 10 -18.003 -1.996 5.984 1.00 1.41 H new ATOM 161 N SER A 11 -13.706 -2.025 3.555 1.00 0.83 N ATOM 162 CA SER A 11 -14.796 -1.464 2.765 1.00 0.99 C ATOM 163 C SER A 11 -15.959 -2.468 2.638 1.00 1.11 C ATOM 164 O SER A 11 -15.719 -3.674 2.689 1.00 1.33 O ATOM 165 CB SER A 11 -14.301 -1.106 1.368 1.00 1.33 C ATOM 166 OG SER A 11 -13.725 0.189 1.370 1.00 2.10 O ATOM 0 H SER A 11 -13.863 -3.010 3.770 1.00 0.83 H new ATOM 0 HA SER A 11 -15.151 -0.569 3.276 1.00 0.99 H new ATOM 0 HB2 SER A 11 -13.565 -1.839 1.036 1.00 1.33 H new ATOM 0 HB3 SER A 11 -15.129 -1.143 0.660 1.00 1.33 H new ATOM 0 HG SER A 11 -12.938 0.196 1.954 1.00 2.10 H new ATOM 172 N PRO A 12 -17.204 -1.995 2.433 1.00 1.22 N ATOM 173 CA PRO A 12 -18.375 -2.831 2.167 1.00 1.44 C ATOM 174 C PRO A 12 -18.541 -3.135 0.664 1.00 1.40 C ATOM 175 O PRO A 12 -19.660 -3.241 0.163 1.00 2.00 O ATOM 176 CB PRO A 12 -19.533 -2.001 2.718 1.00 1.70 C ATOM 177 CG PRO A 12 -19.131 -0.579 2.332 1.00 1.63 C ATOM 178 CD PRO A 12 -17.615 -0.596 2.526 1.00 1.37 C ATOM 0 HA PRO A 12 -18.305 -3.815 2.630 1.00 1.44 H new ATOM 0 HB2 PRO A 12 -20.486 -2.288 2.274 1.00 1.70 H new ATOM 0 HB3 PRO A 12 -19.637 -2.115 3.797 1.00 1.70 H new ATOM 0 HG2 PRO A 12 -19.405 -0.345 1.303 1.00 1.63 H new ATOM 0 HG3 PRO A 12 -19.612 0.165 2.967 1.00 1.63 H new ATOM 0 HD2 PRO A 12 -17.119 0.006 1.765 1.00 1.37 H new ATOM 0 HD3 PRO A 12 -17.342 -0.174 3.493 1.00 1.37 H new ATOM 186 N GLY A 13 -17.432 -3.202 -0.076 1.00 1.06 N ATOM 187 CA GLY A 13 -17.409 -3.312 -1.538 1.00 1.16 C ATOM 188 C GLY A 13 -16.133 -3.956 -2.100 1.00 0.98 C ATOM 189 O GLY A 13 -15.241 -4.309 -1.330 1.00 1.06 O ATOM 0 H GLY A 13 -16.499 -3.181 0.336 1.00 1.06 H new ATOM 0 HA2 GLY A 13 -18.270 -3.897 -1.861 1.00 1.16 H new ATOM 0 HA3 GLY A 13 -17.520 -2.317 -1.968 1.00 1.16 H new ATOM 193 N PRO A 14 -16.040 -4.115 -3.437 1.00 1.07 N ATOM 194 CA PRO A 14 -14.949 -4.827 -4.106 1.00 1.20 C ATOM 195 C PRO A 14 -13.610 -4.082 -4.056 1.00 0.96 C ATOM 196 O PRO A 14 -12.562 -4.704 -4.208 1.00 1.21 O ATOM 197 CB PRO A 14 -15.417 -5.010 -5.553 1.00 1.49 C ATOM 198 CG PRO A 14 -16.361 -3.833 -5.782 1.00 1.45 C ATOM 199 CD PRO A 14 -17.019 -3.656 -4.415 1.00 1.31 C ATOM 0 HA PRO A 14 -14.753 -5.773 -3.601 1.00 1.20 H new ATOM 0 HB2 PRO A 14 -14.579 -4.992 -6.250 1.00 1.49 H new ATOM 0 HB3 PRO A 14 -15.926 -5.964 -5.691 1.00 1.49 H new ATOM 0 HG2 PRO A 14 -15.823 -2.937 -6.091 1.00 1.45 H new ATOM 0 HG3 PRO A 14 -17.094 -4.048 -6.559 1.00 1.45 H new ATOM 0 HD2 PRO A 14 -17.285 -2.613 -4.242 1.00 1.31 H new ATOM 0 HD3 PRO A 14 -17.940 -4.235 -4.347 1.00 1.31 H new ATOM 207 N ASN A 15 -13.631 -2.765 -3.849 1.00 0.68 N ATOM 208 CA ASN A 15 -12.457 -1.937 -3.637 1.00 0.65 C ATOM 209 C ASN A 15 -12.061 -1.871 -2.152 1.00 0.69 C ATOM 210 O ASN A 15 -12.919 -1.793 -1.277 1.00 1.00 O ATOM 211 CB ASN A 15 -12.773 -0.511 -4.113 1.00 1.22 C ATOM 212 CG ASN A 15 -13.532 -0.450 -5.430 1.00 1.29 C ATOM 213 OD1 ASN A 15 -12.845 -0.488 -6.556 1.00 2.35 O flip ATOM 214 ND2 ASN A 15 -14.753 -0.394 -5.451 1.00 2.11 N flip ATOM 0 H ASN A 15 -14.500 -2.232 -3.825 1.00 0.68 H new ATOM 0 HA ASN A 15 -11.629 -2.376 -4.194 1.00 0.65 H new ATOM 0 HB2 ASN A 15 -13.358 -0.004 -3.345 1.00 1.22 H new ATOM 0 HB3 ASN A 15 -11.839 0.041 -4.218 1.00 1.22 H new ATOM 0 HD21 ASN A 15 -15.277 -0.365 -4.577 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -15.247 -0.376 -6.343 1.00 2.11 H new ATOM 221 N ALA A 16 -10.761 -1.732 -1.875 1.00 0.59 N ATOM 222 CA ALA A 16 -10.211 -1.350 -0.571 1.00 0.60 C ATOM 223 C ALA A 16 -8.886 -0.568 -0.726 1.00 0.64 C ATOM 224 O ALA A 16 -8.435 -0.306 -1.840 1.00 0.65 O ATOM 225 CB ALA A 16 -10.079 -2.606 0.309 1.00 0.65 C ATOM 0 H ALA A 16 -10.038 -1.888 -2.577 1.00 0.59 H new ATOM 0 HA ALA A 16 -10.893 -0.664 -0.069 1.00 0.60 H new ATOM 0 HB1 ALA A 16 -9.670 -2.328 1.281 1.00 0.65 H new ATOM 0 HB2 ALA A 16 -11.061 -3.060 0.445 1.00 0.65 H new ATOM 0 HB3 ALA A 16 -9.412 -3.320 -0.174 1.00 0.65 H new ATOM 231 N ALA A 17 -8.262 -0.182 0.389 1.00 0.72 N ATOM 232 CA ALA A 17 -6.957 0.492 0.452 1.00 0.80 C ATOM 233 C ALA A 17 -6.187 -0.038 1.672 1.00 0.90 C ATOM 234 O ALA A 17 -6.832 -0.386 2.665 1.00 0.98 O ATOM 235 CB ALA A 17 -7.184 2.005 0.571 1.00 0.85 C ATOM 0 H ALA A 17 -8.666 -0.335 1.313 1.00 0.72 H new ATOM 0 HA ALA A 17 -6.376 0.293 -0.449 1.00 0.80 H new ATOM 0 HB1 ALA A 17 -6.222 2.515 0.618 1.00 0.85 H new ATOM 0 HB2 ALA A 17 -7.740 2.359 -0.297 1.00 0.85 H new ATOM 0 HB3 ALA A 17 -7.752 2.218 1.477 1.00 0.85 H new ATOM 241 N ALA A 18 -4.850 -0.066 1.642 1.00 0.97 N ATOM 242 CA ALA A 18 -4.019 -0.636 2.712 1.00 1.03 C ATOM 243 C ALA A 18 -2.684 0.097 2.933 1.00 0.89 C ATOM 244 O ALA A 18 -2.020 0.538 1.989 1.00 0.81 O ATOM 245 CB ALA A 18 -3.772 -2.119 2.408 1.00 1.17 C ATOM 0 H ALA A 18 -4.307 0.311 0.865 1.00 0.97 H new ATOM 0 HA ALA A 18 -4.571 -0.514 3.644 1.00 1.03 H new ATOM 0 HB1 ALA A 18 -3.156 -2.554 3.195 1.00 1.17 H new ATOM 0 HB2 ALA A 18 -4.726 -2.645 2.361 1.00 1.17 H new ATOM 0 HB3 ALA A 18 -3.258 -2.214 1.451 1.00 1.17 H new ATOM 251 N TYR A 19 -2.288 0.184 4.205 1.00 0.93 N ATOM 252 CA TYR A 19 -1.034 0.771 4.705 1.00 0.83 C ATOM 253 C TYR A 19 -0.099 -0.312 5.278 1.00 0.78 C ATOM 254 O TYR A 19 -0.576 -1.370 5.706 1.00 1.32 O ATOM 255 CB TYR A 19 -1.373 1.792 5.802 1.00 1.04 C ATOM 256 CG TYR A 19 -2.508 2.732 5.451 1.00 1.26 C ATOM 257 CD1 TYR A 19 -2.322 3.776 4.521 1.00 2.10 C ATOM 258 CD2 TYR A 19 -3.776 2.518 6.019 1.00 2.32 C ATOM 259 CE1 TYR A 19 -3.401 4.612 4.178 1.00 2.34 C ATOM 260 CE2 TYR A 19 -4.848 3.369 5.706 1.00 2.56 C ATOM 261 CZ TYR A 19 -4.664 4.422 4.785 1.00 1.95 C ATOM 262 OH TYR A 19 -5.704 5.248 4.486 1.00 2.36 O ATOM 0 H TYR A 19 -2.868 -0.175 4.964 1.00 0.93 H new ATOM 0 HA TYR A 19 -0.517 1.256 3.877 1.00 0.83 H new ATOM 0 HB2 TYR A 19 -1.631 1.255 6.715 1.00 1.04 H new ATOM 0 HB3 TYR A 19 -0.483 2.382 6.020 1.00 1.04 H new ATOM 0 HD1 TYR A 19 -1.352 3.934 4.072 1.00 2.10 H new ATOM 0 HD2 TYR A 19 -3.927 1.694 6.700 1.00 2.32 H new ATOM 0 HE1 TYR A 19 -3.264 5.399 3.451 1.00 2.34 H new ATOM 0 HE2 TYR A 19 -5.812 3.218 6.169 1.00 2.56 H new ATOM 0 HH TYR A 19 -5.607 5.576 3.568 1.00 2.36 H new ATOM 272 N LEU A 20 1.213 -0.034 5.312 1.00 1.36 N ATOM 273 CA LEU A 20 2.269 -0.936 5.808 1.00 1.35 C ATOM 274 C LEU A 20 3.640 -0.257 5.959 1.00 1.27 C ATOM 275 O LEU A 20 3.944 0.729 5.281 1.00 1.17 O ATOM 276 CB LEU A 20 2.355 -2.228 4.952 1.00 1.37 C ATOM 277 CG LEU A 20 2.821 -2.024 3.489 1.00 1.33 C ATOM 278 CD1 LEU A 20 4.354 -2.064 3.346 1.00 2.05 C ATOM 279 CD2 LEU A 20 2.228 -3.118 2.590 1.00 1.59 C ATOM 0 H LEU A 20 1.584 0.858 4.983 1.00 1.36 H new ATOM 0 HA LEU A 20 1.973 -1.219 6.818 1.00 1.35 H new ATOM 0 HB2 LEU A 20 3.039 -2.922 5.440 1.00 1.37 H new ATOM 0 HB3 LEU A 20 1.374 -2.702 4.940 1.00 1.37 H new ATOM 0 HG LEU A 20 2.471 -1.037 3.187 1.00 1.33 H new ATOM 0 HD11 LEU A 20 4.626 -1.916 2.301 1.00 2.05 H new ATOM 0 HD12 LEU A 20 4.797 -1.273 3.952 1.00 2.05 H new ATOM 0 HD13 LEU A 20 4.726 -3.031 3.684 1.00 2.05 H new ATOM 0 HD21 LEU A 20 2.561 -2.966 1.563 1.00 1.59 H new ATOM 0 HD22 LEU A 20 2.561 -4.096 2.939 1.00 1.59 H new ATOM 0 HD23 LEU A 20 1.140 -3.070 2.629 1.00 1.59 H new ATOM 291 N THR A 21 4.492 -0.855 6.797 1.00 1.36 N ATOM 292 CA THR A 21 5.902 -0.502 7.028 1.00 1.35 C ATOM 293 C THR A 21 6.821 -1.322 6.130 1.00 1.39 C ATOM 294 O THR A 21 7.045 -2.515 6.332 1.00 1.79 O ATOM 295 CB THR A 21 6.265 -0.648 8.515 1.00 1.50 C ATOM 296 OG1 THR A 21 5.634 -1.764 9.087 1.00 2.34 O ATOM 297 CG2 THR A 21 5.825 0.618 9.247 1.00 2.53 C ATOM 0 H THR A 21 4.201 -1.648 7.369 1.00 1.36 H new ATOM 0 HA THR A 21 6.045 0.546 6.763 1.00 1.35 H new ATOM 0 HB THR A 21 7.342 -0.791 8.604 1.00 1.50 H new ATOM 0 HG1 THR A 21 4.678 -1.579 9.195 1.00 2.34 H new ATOM 0 HG21 THR A 21 6.075 0.532 10.305 1.00 2.53 H new ATOM 0 HG22 THR A 21 6.338 1.481 8.822 1.00 2.53 H new ATOM 0 HG23 THR A 21 4.748 0.746 9.138 1.00 2.53 H new ATOM 305 N LEU A 22 7.378 -0.645 5.128 1.00 1.34 N ATOM 306 CA LEU A 22 8.344 -1.191 4.169 1.00 1.66 C ATOM 307 C LEU A 22 9.735 -1.225 4.821 1.00 1.24 C ATOM 308 O LEU A 22 10.123 -0.278 5.511 1.00 1.12 O ATOM 309 CB LEU A 22 8.311 -0.311 2.892 1.00 2.30 C ATOM 310 CG LEU A 22 8.760 -0.933 1.558 1.00 2.82 C ATOM 311 CD1 LEU A 22 10.215 -1.408 1.536 1.00 3.26 C ATOM 312 CD2 LEU A 22 7.849 -2.091 1.156 1.00 2.82 C ATOM 0 H LEU A 22 7.163 0.336 4.953 1.00 1.34 H new ATOM 0 HA LEU A 22 8.093 -2.213 3.885 1.00 1.66 H new ATOM 0 HB2 LEU A 22 7.290 0.047 2.763 1.00 2.30 H new ATOM 0 HB3 LEU A 22 8.935 0.564 3.076 1.00 2.30 H new ATOM 0 HG LEU A 22 8.684 -0.120 0.836 1.00 2.82 H new ATOM 0 HD11 LEU A 22 10.445 -1.832 0.558 1.00 3.26 H new ATOM 0 HD12 LEU A 22 10.876 -0.564 1.730 1.00 3.26 H new ATOM 0 HD13 LEU A 22 10.362 -2.167 2.304 1.00 3.26 H new ATOM 0 HD21 LEU A 22 8.190 -2.511 0.210 1.00 2.82 H new ATOM 0 HD22 LEU A 22 7.878 -2.861 1.927 1.00 2.82 H new ATOM 0 HD23 LEU A 22 6.827 -1.728 1.044 1.00 2.82 H new ATOM 324 N GLU A 23 10.492 -2.298 4.598 1.00 1.34 N ATOM 325 CA GLU A 23 11.859 -2.470 5.092 1.00 1.13 C ATOM 326 C GLU A 23 12.885 -2.523 3.954 1.00 1.28 C ATOM 327 O GLU A 23 12.572 -2.890 2.824 1.00 2.07 O ATOM 328 CB GLU A 23 11.960 -3.760 5.928 1.00 1.78 C ATOM 329 CG GLU A 23 11.733 -5.037 5.100 1.00 3.64 C ATOM 330 CD GLU A 23 12.138 -6.278 5.877 1.00 4.50 C ATOM 331 OE1 GLU A 23 13.315 -6.351 6.301 1.00 4.87 O ATOM 332 OE2 GLU A 23 11.275 -7.156 6.091 1.00 5.39 O ATOM 0 H GLU A 23 10.163 -3.095 4.053 1.00 1.34 H new ATOM 0 HA GLU A 23 12.088 -1.602 5.710 1.00 1.13 H new ATOM 0 HB2 GLU A 23 12.944 -3.807 6.394 1.00 1.78 H new ATOM 0 HB3 GLU A 23 11.227 -3.722 6.734 1.00 1.78 H new ATOM 0 HG2 GLU A 23 10.682 -5.108 4.818 1.00 3.64 H new ATOM 0 HG3 GLU A 23 12.308 -4.981 4.176 1.00 3.64 H new ATOM 339 N ASN A 24 14.146 -2.278 4.294 1.00 0.81 N ATOM 340 CA ASN A 24 15.292 -2.712 3.510 1.00 0.80 C ATOM 341 C ASN A 24 16.369 -3.296 4.447 1.00 0.75 C ATOM 342 O ASN A 24 16.984 -2.550 5.208 1.00 0.76 O ATOM 343 CB ASN A 24 15.822 -1.522 2.711 1.00 0.84 C ATOM 344 CG ASN A 24 16.924 -1.940 1.753 1.00 0.95 C ATOM 345 OD1 ASN A 24 17.478 -3.030 1.834 1.00 1.49 O ATOM 346 ND2 ASN A 24 17.254 -1.088 0.807 1.00 1.00 N ATOM 0 H ASN A 24 14.402 -1.764 5.137 1.00 0.81 H new ATOM 0 HA ASN A 24 15.003 -3.496 2.810 1.00 0.80 H new ATOM 0 HB2 ASN A 24 15.006 -1.066 2.151 1.00 0.84 H new ATOM 0 HB3 ASN A 24 16.202 -0.763 3.395 1.00 0.84 H new ATOM 0 HD21 ASN A 24 17.978 -1.332 0.131 1.00 1.00 H new ATOM 0 HD22 ASN A 24 16.786 -0.184 0.749 1.00 1.00 H new ATOM 353 N PRO A 25 16.604 -4.620 4.417 1.00 0.95 N ATOM 354 CA PRO A 25 17.593 -5.278 5.267 1.00 0.97 C ATOM 355 C PRO A 25 19.014 -5.338 4.682 1.00 0.93 C ATOM 356 O PRO A 25 19.923 -5.755 5.402 1.00 0.98 O ATOM 357 CB PRO A 25 17.029 -6.688 5.459 1.00 1.20 C ATOM 358 CG PRO A 25 16.334 -6.958 4.124 1.00 1.36 C ATOM 359 CD PRO A 25 15.742 -5.603 3.774 1.00 1.26 C ATOM 0 HA PRO A 25 17.727 -4.715 6.191 1.00 0.97 H new ATOM 0 HB2 PRO A 25 17.816 -7.415 5.660 1.00 1.20 H new ATOM 0 HB3 PRO A 25 16.331 -6.734 6.295 1.00 1.20 H new ATOM 0 HG2 PRO A 25 17.036 -7.301 3.364 1.00 1.36 H new ATOM 0 HG3 PRO A 25 15.564 -7.724 4.216 1.00 1.36 H new ATOM 0 HD2 PRO A 25 15.715 -5.454 2.695 1.00 1.26 H new ATOM 0 HD3 PRO A 25 14.716 -5.519 4.133 1.00 1.26 H new ATOM 367 N GLY A 26 19.228 -4.963 3.413 1.00 0.99 N ATOM 368 CA GLY A 26 20.518 -5.058 2.738 1.00 1.09 C ATOM 369 C GLY A 26 21.285 -3.745 2.762 1.00 1.05 C ATOM 370 O GLY A 26 20.813 -2.732 3.265 1.00 1.24 O ATOM 0 H GLY A 26 18.492 -4.579 2.821 1.00 0.99 H new ATOM 0 HA2 GLY A 26 21.117 -5.834 3.214 1.00 1.09 H new ATOM 0 HA3 GLY A 26 20.362 -5.365 1.704 1.00 1.09 H new ATOM 374 N ASP A 27 22.485 -3.788 2.196 1.00 1.20 N ATOM 375 CA ASP A 27 23.419 -2.679 2.001 1.00 1.51 C ATOM 376 C ASP A 27 23.261 -2.011 0.621 1.00 1.43 C ATOM 377 O ASP A 27 23.947 -1.048 0.283 1.00 1.63 O ATOM 378 CB ASP A 27 24.814 -3.277 2.174 1.00 2.01 C ATOM 379 CG ASP A 27 25.084 -3.556 3.650 1.00 2.45 C ATOM 380 OD1 ASP A 27 25.338 -2.591 4.410 1.00 3.56 O ATOM 381 OD2 ASP A 27 24.883 -4.711 4.089 1.00 2.53 O ATOM 0 H ASP A 27 22.862 -4.664 1.833 1.00 1.20 H new ATOM 0 HA ASP A 27 23.228 -1.884 2.721 1.00 1.51 H new ATOM 0 HB2 ASP A 27 24.897 -4.200 1.600 1.00 2.01 H new ATOM 0 HB3 ASP A 27 25.564 -2.590 1.782 1.00 2.01 H new ATOM 386 N LEU A 28 22.312 -2.523 -0.165 1.00 1.17 N ATOM 387 CA LEU A 28 21.888 -2.035 -1.473 1.00 1.06 C ATOM 388 C LEU A 28 20.443 -1.501 -1.410 1.00 0.95 C ATOM 389 O LEU A 28 19.691 -1.903 -0.516 1.00 0.93 O ATOM 390 CB LEU A 28 22.116 -3.167 -2.493 1.00 1.12 C ATOM 391 CG LEU A 28 21.321 -4.477 -2.274 1.00 1.44 C ATOM 392 CD1 LEU A 28 19.909 -4.432 -2.883 1.00 1.94 C ATOM 393 CD2 LEU A 28 22.081 -5.649 -2.912 1.00 1.79 C ATOM 0 H LEU A 28 21.784 -3.348 0.119 1.00 1.17 H new ATOM 0 HA LEU A 28 22.479 -1.179 -1.799 1.00 1.06 H new ATOM 0 HB2 LEU A 28 21.873 -2.784 -3.484 1.00 1.12 H new ATOM 0 HB3 LEU A 28 23.178 -3.411 -2.497 1.00 1.12 H new ATOM 0 HG LEU A 28 21.218 -4.604 -1.196 1.00 1.44 H new ATOM 0 HD11 LEU A 28 19.402 -5.379 -2.697 1.00 1.94 H new ATOM 0 HD12 LEU A 28 19.342 -3.621 -2.427 1.00 1.94 H new ATOM 0 HD13 LEU A 28 19.981 -4.265 -3.958 1.00 1.94 H new ATOM 0 HD21 LEU A 28 21.522 -6.572 -2.758 1.00 1.79 H new ATOM 0 HD22 LEU A 28 22.197 -5.469 -3.981 1.00 1.79 H new ATOM 0 HD23 LEU A 28 23.064 -5.739 -2.450 1.00 1.79 H new ATOM 405 N PRO A 29 20.028 -0.610 -2.328 1.00 0.91 N ATOM 406 CA PRO A 29 18.706 0.001 -2.291 1.00 0.85 C ATOM 407 C PRO A 29 17.633 -0.969 -2.799 1.00 0.80 C ATOM 408 O PRO A 29 17.864 -1.763 -3.715 1.00 0.86 O ATOM 409 CB PRO A 29 18.815 1.261 -3.153 1.00 0.86 C ATOM 410 CG PRO A 29 19.879 0.889 -4.186 1.00 0.91 C ATOM 411 CD PRO A 29 20.802 -0.083 -3.442 1.00 0.98 C ATOM 0 HA PRO A 29 18.399 0.253 -1.276 1.00 0.85 H new ATOM 0 HB2 PRO A 29 17.865 1.509 -3.626 1.00 0.86 H new ATOM 0 HB3 PRO A 29 19.113 2.128 -2.563 1.00 0.86 H new ATOM 0 HG2 PRO A 29 19.435 0.422 -5.065 1.00 0.91 H new ATOM 0 HG3 PRO A 29 20.422 1.768 -4.532 1.00 0.91 H new ATOM 0 HD2 PRO A 29 21.132 -0.886 -4.100 1.00 0.98 H new ATOM 0 HD3 PRO A 29 21.698 0.426 -3.087 1.00 0.98 H new ATOM 419 N LEU A 30 16.441 -0.878 -2.203 1.00 0.74 N ATOM 420 CA LEU A 30 15.238 -1.587 -2.635 1.00 0.70 C ATOM 421 C LEU A 30 14.255 -0.625 -3.284 1.00 0.67 C ATOM 422 O LEU A 30 14.227 0.569 -3.006 1.00 0.70 O ATOM 423 CB LEU A 30 14.559 -2.315 -1.454 1.00 0.73 C ATOM 424 CG LEU A 30 14.924 -3.799 -1.281 1.00 0.63 C ATOM 425 CD1 LEU A 30 14.262 -4.687 -2.338 1.00 2.42 C ATOM 426 CD2 LEU A 30 16.425 -4.068 -1.309 1.00 2.23 C ATOM 0 H LEU A 30 16.284 -0.292 -1.383 1.00 0.74 H new ATOM 0 HA LEU A 30 15.542 -2.335 -3.368 1.00 0.70 H new ATOM 0 HB2 LEU A 30 14.813 -1.789 -0.534 1.00 0.73 H new ATOM 0 HB3 LEU A 30 13.479 -2.238 -1.578 1.00 0.73 H new ATOM 0 HG LEU A 30 14.545 -4.050 -0.291 1.00 0.63 H new ATOM 0 HD11 LEU A 30 14.550 -5.725 -2.173 1.00 2.42 H new ATOM 0 HD12 LEU A 30 13.178 -4.595 -2.263 1.00 2.42 H new ATOM 0 HD13 LEU A 30 14.585 -4.374 -3.331 1.00 2.42 H new ATOM 0 HD21 LEU A 30 16.606 -5.135 -1.181 1.00 2.23 H new ATOM 0 HD22 LEU A 30 16.835 -3.742 -2.265 1.00 2.23 H new ATOM 0 HD23 LEU A 30 16.908 -3.519 -0.501 1.00 2.23 H new ATOM 438 N ARG A 31 13.389 -1.222 -4.098 1.00 0.70 N ATOM 439 CA ARG A 31 12.423 -0.513 -4.941 1.00 0.70 C ATOM 440 C ARG A 31 11.149 -1.325 -5.096 1.00 0.69 C ATOM 441 O ARG A 31 11.173 -2.377 -5.731 1.00 0.70 O ATOM 442 CB ARG A 31 13.039 -0.226 -6.316 1.00 0.72 C ATOM 443 CG ARG A 31 12.180 0.771 -7.114 1.00 0.85 C ATOM 444 CD ARG A 31 12.902 1.331 -8.343 1.00 0.66 C ATOM 445 NE ARG A 31 14.047 2.150 -7.925 1.00 1.43 N ATOM 446 CZ ARG A 31 14.953 2.763 -8.664 1.00 1.42 C ATOM 447 NH1 ARG A 31 14.890 2.764 -9.981 1.00 1.88 N ATOM 448 NH2 ARG A 31 15.941 3.380 -8.061 1.00 2.32 N ATOM 0 H ARG A 31 13.336 -2.236 -4.194 1.00 0.70 H new ATOM 0 HA ARG A 31 12.171 0.432 -4.460 1.00 0.70 H new ATOM 0 HB2 ARG A 31 14.044 0.176 -6.190 1.00 0.72 H new ATOM 0 HB3 ARG A 31 13.135 -1.156 -6.876 1.00 0.72 H new ATOM 0 HG2 ARG A 31 11.262 0.278 -7.432 1.00 0.85 H new ATOM 0 HG3 ARG A 31 11.890 1.595 -6.463 1.00 0.85 H new ATOM 0 HD2 ARG A 31 13.242 0.513 -8.979 1.00 0.66 H new ATOM 0 HD3 ARG A 31 12.213 1.931 -8.937 1.00 0.66 H new ATOM 0 HE ARG A 31 14.158 2.261 -6.917 1.00 1.43 H new ATOM 0 HH11 ARG A 31 14.126 2.282 -10.455 1.00 1.88 H new ATOM 0 HH12 ARG A 31 15.605 3.247 -10.525 1.00 1.88 H new ATOM 0 HH21 ARG A 31 15.997 3.379 -7.043 1.00 2.32 H new ATOM 0 HH22 ARG A 31 16.653 3.861 -8.611 1.00 2.32 H new ATOM 462 N LEU A 32 10.061 -0.863 -4.498 1.00 0.67 N ATOM 463 CA LEU A 32 8.756 -1.514 -4.448 1.00 0.67 C ATOM 464 C LEU A 32 7.919 -1.063 -5.641 1.00 0.69 C ATOM 465 O LEU A 32 7.516 0.092 -5.695 1.00 0.72 O ATOM 466 CB LEU A 32 8.126 -1.107 -3.115 1.00 0.69 C ATOM 467 CG LEU A 32 6.679 -1.589 -2.889 1.00 0.77 C ATOM 468 CD1 LEU A 32 6.650 -3.095 -2.596 1.00 1.42 C ATOM 469 CD2 LEU A 32 6.075 -0.773 -1.737 1.00 2.05 C ATOM 0 H LEU A 32 10.064 0.030 -4.005 1.00 0.67 H new ATOM 0 HA LEU A 32 8.827 -2.600 -4.508 1.00 0.67 H new ATOM 0 HB2 LEU A 32 8.749 -1.491 -2.307 1.00 0.69 H new ATOM 0 HB3 LEU A 32 8.144 -0.020 -3.042 1.00 0.69 H new ATOM 0 HG LEU A 32 6.083 -1.433 -3.788 1.00 0.77 H new ATOM 0 HD11 LEU A 32 5.620 -3.415 -2.439 1.00 1.42 H new ATOM 0 HD12 LEU A 32 7.075 -3.638 -3.440 1.00 1.42 H new ATOM 0 HD13 LEU A 32 7.235 -3.303 -1.700 1.00 1.42 H new ATOM 0 HD21 LEU A 32 5.050 -1.098 -1.560 1.00 2.05 H new ATOM 0 HD22 LEU A 32 6.666 -0.926 -0.834 1.00 2.05 H new ATOM 0 HD23 LEU A 32 6.080 0.285 -1.999 1.00 2.05 H new ATOM 481 N VAL A 33 7.638 -1.977 -6.562 1.00 0.69 N ATOM 482 CA VAL A 33 6.977 -1.702 -7.851 1.00 0.68 C ATOM 483 C VAL A 33 5.535 -2.249 -7.879 1.00 0.69 C ATOM 484 O VAL A 33 4.730 -1.832 -8.709 1.00 0.73 O ATOM 485 CB VAL A 33 7.794 -2.298 -9.029 1.00 0.70 C ATOM 486 CG1 VAL A 33 9.225 -1.728 -9.085 1.00 0.70 C ATOM 487 CG2 VAL A 33 7.920 -3.834 -8.987 1.00 0.74 C ATOM 0 H VAL A 33 7.867 -2.963 -6.437 1.00 0.69 H new ATOM 0 HA VAL A 33 6.931 -0.619 -7.965 1.00 0.68 H new ATOM 0 HB VAL A 33 7.224 -2.012 -9.913 1.00 0.70 H new ATOM 0 HG11 VAL A 33 9.761 -2.172 -9.924 1.00 0.70 H new ATOM 0 HG12 VAL A 33 9.181 -0.647 -9.214 1.00 0.70 H new ATOM 0 HG13 VAL A 33 9.746 -1.962 -8.157 1.00 0.70 H new ATOM 0 HG21 VAL A 33 8.504 -4.175 -9.842 1.00 0.74 H new ATOM 0 HG22 VAL A 33 8.418 -4.133 -8.065 1.00 0.74 H new ATOM 0 HG23 VAL A 33 6.927 -4.282 -9.024 1.00 0.74 H new ATOM 497 N GLY A 34 5.219 -3.213 -6.995 1.00 0.67 N ATOM 498 CA GLY A 34 3.941 -3.926 -6.937 1.00 0.66 C ATOM 499 C GLY A 34 3.650 -4.560 -5.578 1.00 0.65 C ATOM 500 O GLY A 34 4.421 -4.447 -4.625 1.00 0.68 O ATOM 0 H GLY A 34 5.874 -3.524 -6.278 1.00 0.67 H new ATOM 0 HA2 GLY A 34 3.137 -3.232 -7.184 1.00 0.66 H new ATOM 0 HA3 GLY A 34 3.935 -4.705 -7.700 1.00 0.66 H new ATOM 504 N ALA A 35 2.544 -5.298 -5.536 1.00 0.62 N ATOM 505 CA ALA A 35 2.086 -6.126 -4.420 1.00 0.62 C ATOM 506 C ALA A 35 1.260 -7.329 -4.919 1.00 0.60 C ATOM 507 O ALA A 35 1.079 -7.520 -6.124 1.00 0.61 O ATOM 508 CB ALA A 35 1.307 -5.244 -3.428 1.00 0.60 C ATOM 0 H ALA A 35 1.903 -5.337 -6.328 1.00 0.62 H new ATOM 0 HA ALA A 35 2.945 -6.549 -3.899 1.00 0.62 H new ATOM 0 HB1 ALA A 35 0.962 -5.853 -2.593 1.00 0.60 H new ATOM 0 HB2 ALA A 35 1.958 -4.453 -3.055 1.00 0.60 H new ATOM 0 HB3 ALA A 35 0.449 -4.800 -3.932 1.00 0.60 H new ATOM 514 N ARG A 36 0.744 -8.122 -3.981 1.00 0.60 N ATOM 515 CA ARG A 36 -0.236 -9.202 -4.167 1.00 0.58 C ATOM 516 C ARG A 36 -0.987 -9.433 -2.841 1.00 0.58 C ATOM 517 O ARG A 36 -0.549 -8.951 -1.799 1.00 0.69 O ATOM 518 CB ARG A 36 0.489 -10.491 -4.610 1.00 0.73 C ATOM 519 CG ARG A 36 0.178 -11.000 -6.019 1.00 0.97 C ATOM 520 CD ARG A 36 0.968 -12.305 -6.198 1.00 1.57 C ATOM 521 NE ARG A 36 0.813 -12.880 -7.545 1.00 2.29 N ATOM 522 CZ ARG A 36 1.446 -13.959 -7.996 1.00 3.34 C ATOM 523 NH1 ARG A 36 2.245 -14.663 -7.215 1.00 3.88 N ATOM 524 NH2 ARG A 36 1.294 -14.339 -9.251 1.00 4.38 N ATOM 0 H ARG A 36 1.015 -8.024 -3.003 1.00 0.60 H new ATOM 0 HA ARG A 36 -0.953 -8.926 -4.940 1.00 0.58 H new ATOM 0 HB2 ARG A 36 1.563 -10.320 -4.539 1.00 0.73 H new ATOM 0 HB3 ARG A 36 0.244 -11.281 -3.900 1.00 0.73 H new ATOM 0 HG2 ARG A 36 -0.891 -11.174 -6.141 1.00 0.97 H new ATOM 0 HG3 ARG A 36 0.469 -10.265 -6.770 1.00 0.97 H new ATOM 0 HD2 ARG A 36 2.024 -12.115 -6.007 1.00 1.57 H new ATOM 0 HD3 ARG A 36 0.636 -13.031 -5.456 1.00 1.57 H new ATOM 0 HE ARG A 36 0.168 -12.413 -8.183 1.00 2.29 H new ATOM 0 HH11 ARG A 36 2.387 -14.382 -6.245 1.00 3.88 H new ATOM 0 HH12 ARG A 36 2.720 -15.487 -7.582 1.00 3.88 H new ATOM 0 HH21 ARG A 36 0.690 -13.805 -9.876 1.00 4.38 H new ATOM 0 HH22 ARG A 36 1.780 -15.167 -9.596 1.00 4.38 H new ATOM 538 N THR A 37 -2.063 -10.225 -2.864 1.00 0.52 N ATOM 539 CA THR A 37 -2.854 -10.681 -1.703 1.00 0.51 C ATOM 540 C THR A 37 -3.925 -11.649 -2.211 1.00 0.48 C ATOM 541 O THR A 37 -4.348 -11.492 -3.359 1.00 0.53 O ATOM 542 CB THR A 37 -3.447 -9.509 -0.904 1.00 0.64 C ATOM 543 OG1 THR A 37 -4.277 -9.974 0.123 1.00 0.73 O ATOM 544 CG2 THR A 37 -4.262 -8.526 -1.745 1.00 0.74 C ATOM 0 H THR A 37 -2.432 -10.590 -3.742 1.00 0.52 H new ATOM 0 HA THR A 37 -2.205 -11.199 -0.997 1.00 0.51 H new ATOM 0 HB THR A 37 -2.579 -8.980 -0.510 1.00 0.64 H new ATOM 0 HG1 THR A 37 -3.732 -10.215 0.901 1.00 0.73 H new ATOM 0 HG21 THR A 37 -4.644 -7.730 -1.106 1.00 0.74 H new ATOM 0 HG22 THR A 37 -3.627 -8.096 -2.519 1.00 0.74 H new ATOM 0 HG23 THR A 37 -5.097 -9.050 -2.210 1.00 0.74 H new ATOM 552 N PRO A 38 -4.387 -12.633 -1.414 1.00 0.52 N ATOM 553 CA PRO A 38 -5.441 -13.541 -1.851 1.00 0.55 C ATOM 554 C PRO A 38 -6.815 -12.869 -1.907 1.00 0.54 C ATOM 555 O PRO A 38 -7.697 -13.371 -2.596 1.00 0.75 O ATOM 556 CB PRO A 38 -5.392 -14.713 -0.871 1.00 0.70 C ATOM 557 CG PRO A 38 -4.789 -14.128 0.403 1.00 0.76 C ATOM 558 CD PRO A 38 -3.873 -13.020 -0.110 1.00 0.67 C ATOM 0 HA PRO A 38 -5.279 -13.875 -2.876 1.00 0.55 H new ATOM 0 HB2 PRO A 38 -6.387 -15.118 -0.688 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -4.782 -15.529 -1.259 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -5.559 -13.736 1.068 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -4.234 -14.879 0.965 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -3.870 -12.171 0.574 1.00 0.67 H new ATOM 0 HD3 PRO A 38 -2.844 -13.371 -0.187 1.00 0.67 H new ATOM 566 N VAL A 39 -6.993 -11.721 -1.246 1.00 0.55 N ATOM 567 CA VAL A 39 -8.219 -10.895 -1.306 1.00 0.52 C ATOM 568 C VAL A 39 -8.092 -9.742 -2.316 1.00 0.48 C ATOM 569 O VAL A 39 -8.396 -8.586 -2.023 1.00 0.60 O ATOM 570 CB VAL A 39 -8.687 -10.423 0.093 1.00 0.59 C ATOM 571 CG1 VAL A 39 -9.171 -11.636 0.905 1.00 0.77 C ATOM 572 CG2 VAL A 39 -7.598 -9.659 0.866 1.00 0.60 C ATOM 0 H VAL A 39 -6.276 -11.325 -0.638 1.00 0.55 H new ATOM 0 HA VAL A 39 -9.013 -11.542 -1.680 1.00 0.52 H new ATOM 0 HB VAL A 39 -9.506 -9.720 -0.057 1.00 0.59 H new ATOM 0 HG11 VAL A 39 -9.501 -11.306 1.890 1.00 0.77 H new ATOM 0 HG12 VAL A 39 -10.002 -12.114 0.385 1.00 0.77 H new ATOM 0 HG13 VAL A 39 -8.354 -12.349 1.016 1.00 0.77 H new ATOM 0 HG21 VAL A 39 -7.987 -9.355 1.838 1.00 0.60 H new ATOM 0 HG22 VAL A 39 -6.732 -10.305 1.008 1.00 0.60 H new ATOM 0 HG23 VAL A 39 -7.303 -8.775 0.301 1.00 0.60 H new ATOM 582 N ALA A 40 -7.706 -10.072 -3.552 1.00 0.53 N ATOM 583 CA ALA A 40 -7.799 -9.181 -4.713 1.00 0.52 C ATOM 584 C ALA A 40 -7.864 -9.961 -6.043 1.00 0.78 C ATOM 585 O ALA A 40 -7.609 -11.169 -6.097 1.00 1.39 O ATOM 586 CB ALA A 40 -6.592 -8.232 -4.698 1.00 0.81 C ATOM 0 H ALA A 40 -7.312 -10.985 -3.778 1.00 0.53 H new ATOM 0 HA ALA A 40 -8.726 -8.612 -4.644 1.00 0.52 H new ATOM 0 HB1 ALA A 40 -6.646 -7.562 -5.556 1.00 0.81 H new ATOM 0 HB2 ALA A 40 -6.601 -7.646 -3.779 1.00 0.81 H new ATOM 0 HB3 ALA A 40 -5.671 -8.813 -4.749 1.00 0.81 H new ATOM 592 N GLU A 41 -8.211 -9.252 -7.117 1.00 0.57 N ATOM 593 CA GLU A 41 -8.017 -9.631 -8.524 1.00 0.72 C ATOM 594 C GLU A 41 -6.808 -8.885 -9.122 1.00 0.64 C ATOM 595 O GLU A 41 -5.990 -9.508 -9.797 1.00 0.93 O ATOM 596 CB GLU A 41 -9.332 -9.365 -9.283 1.00 0.92 C ATOM 597 CG GLU A 41 -9.308 -9.715 -10.788 1.00 1.40 C ATOM 598 CD GLU A 41 -9.110 -8.510 -11.713 1.00 3.61 C ATOM 599 OE1 GLU A 41 -8.642 -7.454 -11.245 1.00 4.99 O ATOM 600 OE2 GLU A 41 -9.445 -8.598 -12.915 1.00 4.78 O ATOM 0 H GLU A 41 -8.663 -8.342 -7.027 1.00 0.57 H new ATOM 0 HA GLU A 41 -7.784 -10.692 -8.613 1.00 0.72 H new ATOM 0 HB2 GLU A 41 -10.129 -9.936 -8.807 1.00 0.92 H new ATOM 0 HB3 GLU A 41 -9.587 -8.311 -9.176 1.00 0.92 H new ATOM 0 HG2 GLU A 41 -8.508 -10.433 -10.969 1.00 1.40 H new ATOM 0 HG3 GLU A 41 -10.244 -10.209 -11.049 1.00 1.40 H new ATOM 607 N ARG A 42 -6.634 -7.600 -8.766 1.00 0.63 N ATOM 608 CA ARG A 42 -5.458 -6.776 -9.040 1.00 0.95 C ATOM 609 C ARG A 42 -5.221 -5.793 -7.885 1.00 0.65 C ATOM 610 O ARG A 42 -6.044 -5.628 -6.985 1.00 0.78 O ATOM 611 CB ARG A 42 -5.592 -6.084 -10.416 1.00 1.55 C ATOM 612 CG ARG A 42 -6.584 -4.905 -10.440 1.00 1.79 C ATOM 613 CD ARG A 42 -6.850 -4.370 -11.854 1.00 1.89 C ATOM 614 NE ARG A 42 -7.678 -5.322 -12.605 1.00 2.44 N ATOM 615 CZ ARG A 42 -8.245 -5.200 -13.791 1.00 3.38 C ATOM 616 NH1 ARG A 42 -8.078 -4.126 -14.535 1.00 3.71 N ATOM 617 NH2 ARG A 42 -9.006 -6.178 -14.230 1.00 4.66 N ATOM 0 H ARG A 42 -7.351 -7.088 -8.253 1.00 0.63 H new ATOM 0 HA ARG A 42 -4.571 -7.407 -9.100 1.00 0.95 H new ATOM 0 HB2 ARG A 42 -4.611 -5.724 -10.725 1.00 1.55 H new ATOM 0 HB3 ARG A 42 -5.907 -6.824 -11.152 1.00 1.55 H new ATOM 0 HG2 ARG A 42 -7.527 -5.222 -9.995 1.00 1.79 H new ATOM 0 HG3 ARG A 42 -6.194 -4.098 -9.820 1.00 1.79 H new ATOM 0 HD2 ARG A 42 -7.352 -3.404 -11.798 1.00 1.89 H new ATOM 0 HD3 ARG A 42 -5.906 -4.208 -12.374 1.00 1.89 H new ATOM 0 HE ARG A 42 -7.840 -6.215 -12.139 1.00 2.44 H new ATOM 0 HH11 ARG A 42 -7.497 -3.358 -14.199 1.00 3.71 H new ATOM 0 HH12 ARG A 42 -8.530 -4.062 -15.447 1.00 3.71 H new ATOM 0 HH21 ARG A 42 -9.148 -7.010 -13.657 1.00 4.66 H new ATOM 0 HH22 ARG A 42 -9.454 -6.105 -15.143 1.00 4.66 H new ATOM 631 N VAL A 43 -4.073 -5.136 -7.901 1.00 0.62 N ATOM 632 CA VAL A 43 -3.616 -4.186 -6.875 1.00 0.61 C ATOM 633 C VAL A 43 -2.821 -3.076 -7.567 1.00 0.78 C ATOM 634 O VAL A 43 -2.141 -3.333 -8.560 1.00 1.15 O ATOM 635 CB VAL A 43 -2.790 -4.899 -5.774 1.00 0.76 C ATOM 636 CG1 VAL A 43 -1.402 -5.368 -6.247 1.00 1.05 C ATOM 637 CG2 VAL A 43 -2.637 -4.051 -4.503 1.00 0.87 C ATOM 0 H VAL A 43 -3.398 -5.248 -8.658 1.00 0.62 H new ATOM 0 HA VAL A 43 -4.474 -3.746 -6.367 1.00 0.61 H new ATOM 0 HB VAL A 43 -3.377 -5.786 -5.536 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -0.883 -5.857 -5.423 1.00 1.05 H new ATOM 0 HG12 VAL A 43 -1.517 -6.071 -7.072 1.00 1.05 H new ATOM 0 HG13 VAL A 43 -0.822 -4.508 -6.581 1.00 1.05 H new ATOM 0 HG21 VAL A 43 -2.050 -4.601 -3.767 1.00 0.87 H new ATOM 0 HG22 VAL A 43 -2.130 -3.117 -4.747 1.00 0.87 H new ATOM 0 HG23 VAL A 43 -3.622 -3.832 -4.091 1.00 0.87 H new ATOM 647 N GLU A 44 -2.934 -1.857 -7.045 1.00 0.68 N ATOM 648 CA GLU A 44 -2.245 -0.648 -7.500 1.00 0.83 C ATOM 649 C GLU A 44 -1.573 0.004 -6.289 1.00 0.93 C ATOM 650 O GLU A 44 -2.108 -0.101 -5.186 1.00 1.03 O ATOM 651 CB GLU A 44 -3.280 0.346 -8.055 1.00 1.05 C ATOM 652 CG GLU A 44 -3.891 -0.091 -9.394 1.00 1.26 C ATOM 653 CD GLU A 44 -5.197 0.649 -9.702 1.00 2.02 C ATOM 654 OE1 GLU A 44 -5.324 1.820 -9.272 1.00 3.16 O ATOM 655 OE2 GLU A 44 -6.069 0.023 -10.347 1.00 2.59 O ATOM 0 H GLU A 44 -3.543 -1.674 -6.248 1.00 0.68 H new ATOM 0 HA GLU A 44 -1.515 -0.903 -8.268 1.00 0.83 H new ATOM 0 HB2 GLU A 44 -4.079 0.473 -7.324 1.00 1.05 H new ATOM 0 HB3 GLU A 44 -2.806 1.319 -8.181 1.00 1.05 H new ATOM 0 HG2 GLU A 44 -3.175 0.091 -10.195 1.00 1.26 H new ATOM 0 HG3 GLU A 44 -4.080 -1.164 -9.373 1.00 1.26 H new ATOM 662 N LEU A 45 -0.462 0.728 -6.472 1.00 1.07 N ATOM 663 CA LEU A 45 -0.029 1.710 -5.466 1.00 1.20 C ATOM 664 C LEU A 45 -0.332 3.135 -5.892 1.00 0.98 C ATOM 665 O LEU A 45 -0.088 3.540 -7.030 1.00 0.91 O ATOM 666 CB LEU A 45 1.420 1.557 -4.987 1.00 1.87 C ATOM 667 CG LEU A 45 2.556 2.105 -5.859 1.00 0.59 C ATOM 668 CD1 LEU A 45 3.843 2.152 -5.030 1.00 1.43 C ATOM 669 CD2 LEU A 45 2.774 1.282 -7.135 1.00 1.42 C ATOM 0 H LEU A 45 0.144 0.657 -7.289 1.00 1.07 H new ATOM 0 HA LEU A 45 -0.635 1.480 -4.590 1.00 1.20 H new ATOM 0 HB2 LEU A 45 1.495 2.035 -4.011 1.00 1.87 H new ATOM 0 HB3 LEU A 45 1.605 0.494 -4.836 1.00 1.87 H new ATOM 0 HG LEU A 45 2.275 3.108 -6.182 1.00 0.59 H new ATOM 0 HD11 LEU A 45 4.656 2.541 -5.643 1.00 1.43 H new ATOM 0 HD12 LEU A 45 3.696 2.802 -4.167 1.00 1.43 H new ATOM 0 HD13 LEU A 45 4.093 1.147 -4.690 1.00 1.43 H new ATOM 0 HD21 LEU A 45 3.590 1.716 -7.713 1.00 1.42 H new ATOM 0 HD22 LEU A 45 3.025 0.256 -6.867 1.00 1.42 H new ATOM 0 HD23 LEU A 45 1.862 1.289 -7.733 1.00 1.42 H new ATOM 681 N HIS A 46 -0.828 3.903 -4.933 1.00 0.94 N ATOM 682 CA HIS A 46 -1.238 5.288 -5.057 1.00 0.83 C ATOM 683 C HIS A 46 -0.464 6.222 -4.112 1.00 0.82 C ATOM 684 O HIS A 46 -0.069 5.844 -3.006 1.00 0.95 O ATOM 685 CB HIS A 46 -2.727 5.387 -4.696 1.00 0.83 C ATOM 686 CG HIS A 46 -3.731 4.735 -5.608 1.00 0.83 C ATOM 687 ND1 HIS A 46 -5.081 4.644 -5.319 1.00 0.83 N ATOM 688 CD2 HIS A 46 -3.519 4.093 -6.790 1.00 0.86 C ATOM 689 CE1 HIS A 46 -5.661 3.985 -6.323 1.00 0.86 C ATOM 690 NE2 HIS A 46 -4.743 3.633 -7.239 1.00 0.88 N ATOM 0 H HIS A 46 -0.962 3.548 -3.986 1.00 0.94 H new ATOM 0 HA HIS A 46 -1.037 5.599 -6.082 1.00 0.83 H new ATOM 0 HB2 HIS A 46 -2.856 4.960 -3.701 1.00 0.83 H new ATOM 0 HB3 HIS A 46 -2.981 6.444 -4.625 1.00 0.83 H new ATOM 0 HD1 HIS A 46 -5.547 5.013 -4.490 1.00 0.83 H new ATOM 0 HD2 HIS A 46 -2.568 3.966 -7.286 1.00 0.86 H new ATOM 0 HE1 HIS A 46 -6.716 3.766 -6.390 1.00 0.86 H new ATOM 0 HE2 HIS A 46 -4.917 3.122 -8.104 1.00 0.88 H new ATOM 698 N GLU A 47 -0.366 7.474 -4.544 1.00 0.70 N ATOM 699 CA GLU A 47 -0.016 8.629 -3.719 1.00 0.67 C ATOM 700 C GLU A 47 -1.299 9.357 -3.277 1.00 0.69 C ATOM 701 O GLU A 47 -2.362 9.181 -3.887 1.00 0.80 O ATOM 702 CB GLU A 47 0.952 9.562 -4.482 1.00 0.69 C ATOM 703 CG GLU A 47 0.250 10.535 -5.450 1.00 1.02 C ATOM 704 CD GLU A 47 1.163 11.192 -6.494 1.00 1.09 C ATOM 705 OE1 GLU A 47 2.332 10.782 -6.654 1.00 2.31 O ATOM 706 OE2 GLU A 47 0.654 12.056 -7.251 1.00 1.97 O ATOM 0 H GLU A 47 -0.535 7.725 -5.518 1.00 0.70 H new ATOM 0 HA GLU A 47 0.504 8.296 -2.821 1.00 0.67 H new ATOM 0 HB2 GLU A 47 1.530 10.138 -3.760 1.00 0.69 H new ATOM 0 HB3 GLU A 47 1.660 8.953 -5.044 1.00 0.69 H new ATOM 0 HG2 GLU A 47 -0.541 9.996 -5.971 1.00 1.02 H new ATOM 0 HG3 GLU A 47 -0.230 11.320 -4.866 1.00 1.02 H new ATOM 713 N THR A 48 -1.193 10.211 -2.257 1.00 0.72 N ATOM 714 CA THR A 48 -2.181 11.254 -1.937 1.00 0.71 C ATOM 715 C THR A 48 -1.485 12.608 -2.115 1.00 0.74 C ATOM 716 O THR A 48 -0.303 12.727 -1.805 1.00 0.91 O ATOM 717 CB THR A 48 -2.685 11.037 -0.506 1.00 1.01 C ATOM 718 OG1 THR A 48 -3.497 9.889 -0.512 1.00 1.24 O ATOM 719 CG2 THR A 48 -3.522 12.183 0.061 1.00 1.23 C ATOM 0 H THR A 48 -0.402 10.200 -1.614 1.00 0.72 H new ATOM 0 HA THR A 48 -3.051 11.218 -2.593 1.00 0.71 H new ATOM 0 HB THR A 48 -1.800 10.954 0.124 1.00 1.01 H new ATOM 0 HG1 THR A 48 -3.834 9.722 0.393 1.00 1.24 H new ATOM 0 HG21 THR A 48 -3.833 11.939 1.077 1.00 1.23 H new ATOM 0 HG22 THR A 48 -2.927 13.096 0.073 1.00 1.23 H new ATOM 0 HG23 THR A 48 -4.404 12.333 -0.562 1.00 1.23 H new ATOM 727 N PHE A 49 -2.193 13.626 -2.617 1.00 0.79 N ATOM 728 CA PHE A 49 -1.606 14.928 -2.954 1.00 1.03 C ATOM 729 C PHE A 49 -2.492 16.130 -2.580 1.00 1.05 C ATOM 730 O PHE A 49 -3.670 15.995 -2.252 1.00 0.87 O ATOM 731 CB PHE A 49 -1.225 14.940 -4.452 1.00 1.17 C ATOM 732 CG PHE A 49 -2.376 14.892 -5.450 1.00 1.13 C ATOM 733 CD1 PHE A 49 -3.159 16.043 -5.644 1.00 2.24 C ATOM 734 CD2 PHE A 49 -2.647 13.747 -6.228 1.00 2.08 C ATOM 735 CE1 PHE A 49 -4.201 16.070 -6.578 1.00 2.33 C ATOM 736 CE2 PHE A 49 -3.691 13.769 -7.174 1.00 2.08 C ATOM 737 CZ PHE A 49 -4.463 14.932 -7.356 1.00 1.31 C ATOM 0 H PHE A 49 -3.195 13.570 -2.802 1.00 0.79 H new ATOM 0 HA PHE A 49 -0.711 15.049 -2.344 1.00 1.03 H new ATOM 0 HB2 PHE A 49 -0.642 15.840 -4.648 1.00 1.17 H new ATOM 0 HB3 PHE A 49 -0.572 14.089 -4.644 1.00 1.17 H new ATOM 0 HD1 PHE A 49 -2.952 16.927 -5.059 1.00 2.24 H new ATOM 0 HD2 PHE A 49 -2.054 12.854 -6.099 1.00 2.08 H new ATOM 0 HE1 PHE A 49 -4.799 16.961 -6.699 1.00 2.33 H new ATOM 0 HE2 PHE A 49 -3.900 12.888 -7.763 1.00 2.08 H new ATOM 0 HZ PHE A 49 -5.254 14.948 -8.091 1.00 1.31 H new ATOM 747 N MET A 50 -1.920 17.331 -2.722 1.00 1.37 N ATOM 748 CA MET A 50 -2.621 18.629 -2.711 1.00 1.53 C ATOM 749 C MET A 50 -2.550 19.304 -4.088 1.00 1.56 C ATOM 750 O MET A 50 -1.531 19.190 -4.768 1.00 1.54 O ATOM 751 CB MET A 50 -1.998 19.560 -1.661 1.00 1.78 C ATOM 752 CG MET A 50 -2.450 19.178 -0.248 1.00 1.71 C ATOM 753 SD MET A 50 -1.663 20.116 1.085 1.00 2.06 S ATOM 754 CE MET A 50 -2.242 21.794 0.710 1.00 3.55 C ATOM 0 H MET A 50 -0.914 17.434 -2.854 1.00 1.37 H new ATOM 0 HA MET A 50 -3.666 18.442 -2.463 1.00 1.53 H new ATOM 0 HB2 MET A 50 -0.911 19.509 -1.725 1.00 1.78 H new ATOM 0 HB3 MET A 50 -2.282 20.591 -1.871 1.00 1.78 H new ATOM 0 HG2 MET A 50 -3.529 19.313 -0.179 1.00 1.71 H new ATOM 0 HG3 MET A 50 -2.251 18.118 -0.093 1.00 1.71 H new ATOM 0 HE1 MET A 50 -1.976 22.462 1.529 1.00 3.55 H new ATOM 0 HE2 MET A 50 -1.774 22.143 -0.210 1.00 3.55 H new ATOM 0 HE3 MET A 50 -3.325 21.786 0.586 1.00 3.55 H new ATOM 764 N ARG A 51 -3.620 19.996 -4.496 1.00 1.64 N ATOM 765 CA ARG A 51 -3.700 20.830 -5.707 1.00 1.68 C ATOM 766 C ARG A 51 -4.623 22.031 -5.470 1.00 1.77 C ATOM 767 O ARG A 51 -5.630 21.915 -4.766 1.00 1.89 O ATOM 768 CB ARG A 51 -4.195 20.048 -6.941 1.00 1.76 C ATOM 769 CG ARG A 51 -3.085 19.192 -7.564 1.00 1.69 C ATOM 770 CD ARG A 51 -3.509 18.493 -8.857 1.00 2.50 C ATOM 771 NE ARG A 51 -2.566 17.405 -9.160 1.00 3.86 N ATOM 772 CZ ARG A 51 -2.776 16.372 -9.969 1.00 5.28 C ATOM 773 NH1 ARG A 51 -3.842 16.310 -10.744 1.00 5.66 N ATOM 774 NH2 ARG A 51 -1.907 15.380 -9.998 1.00 6.76 N ATOM 0 H ARG A 51 -4.494 19.992 -3.970 1.00 1.64 H new ATOM 0 HA ARG A 51 -2.685 21.169 -5.914 1.00 1.68 H new ATOM 0 HB2 ARG A 51 -5.028 19.407 -6.653 1.00 1.76 H new ATOM 0 HB3 ARG A 51 -4.574 20.748 -7.686 1.00 1.76 H new ATOM 0 HG2 ARG A 51 -2.221 19.824 -7.768 1.00 1.69 H new ATOM 0 HG3 ARG A 51 -2.767 18.441 -6.841 1.00 1.69 H new ATOM 0 HD2 ARG A 51 -4.518 18.095 -8.753 1.00 2.50 H new ATOM 0 HD3 ARG A 51 -3.531 19.208 -9.679 1.00 2.50 H new ATOM 0 HE ARG A 51 -1.656 17.448 -8.701 1.00 3.86 H new ATOM 0 HH11 ARG A 51 -4.527 17.066 -10.731 1.00 5.66 H new ATOM 0 HH12 ARG A 51 -3.981 15.506 -11.357 1.00 5.66 H new ATOM 0 HH21 ARG A 51 -1.080 15.409 -9.402 1.00 6.76 H new ATOM 0 HH22 ARG A 51 -2.062 14.584 -10.617 1.00 6.76 H new ATOM 788 N GLU A 52 -4.319 23.160 -6.098 1.00 1.75 N ATOM 789 CA GLU A 52 -5.151 24.337 -6.139 1.00 1.78 C ATOM 790 C GLU A 52 -6.030 24.343 -7.393 1.00 1.79 C ATOM 791 O GLU A 52 -5.555 23.967 -8.463 1.00 1.85 O ATOM 792 CB GLU A 52 -4.181 25.528 -6.152 1.00 1.89 C ATOM 793 CG GLU A 52 -4.738 26.701 -5.368 1.00 1.73 C ATOM 794 CD GLU A 52 -4.965 26.377 -3.888 1.00 1.67 C ATOM 795 OE1 GLU A 52 -4.437 25.345 -3.405 1.00 2.43 O ATOM 796 OE2 GLU A 52 -5.767 27.108 -3.271 1.00 2.34 O ATOM 0 H GLU A 52 -3.446 23.276 -6.612 1.00 1.75 H new ATOM 0 HA GLU A 52 -5.828 24.376 -5.286 1.00 1.78 H new ATOM 0 HB2 GLU A 52 -3.224 25.225 -5.727 1.00 1.89 H new ATOM 0 HB3 GLU A 52 -3.990 25.833 -7.181 1.00 1.89 H new ATOM 0 HG2 GLU A 52 -4.052 27.544 -5.449 1.00 1.73 H new ATOM 0 HG3 GLU A 52 -5.682 27.014 -5.815 1.00 1.73 H new ATOM 803 N VAL A 53 -7.278 24.802 -7.275 1.00 1.80 N ATOM 804 CA VAL A 53 -8.161 25.124 -8.411 1.00 1.87 C ATOM 805 C VAL A 53 -8.930 26.406 -8.093 1.00 2.00 C ATOM 806 O VAL A 53 -9.503 26.515 -7.018 1.00 2.09 O ATOM 807 CB VAL A 53 -9.143 23.975 -8.759 1.00 1.92 C ATOM 808 CG1 VAL A 53 -8.422 22.813 -9.467 1.00 2.28 C ATOM 809 CG2 VAL A 53 -9.919 23.411 -7.552 1.00 2.29 C ATOM 0 H VAL A 53 -7.718 24.966 -6.369 1.00 1.80 H new ATOM 0 HA VAL A 53 -7.534 25.265 -9.291 1.00 1.87 H new ATOM 0 HB VAL A 53 -9.871 24.437 -9.426 1.00 1.92 H new ATOM 0 HG11 VAL A 53 -9.140 22.025 -9.696 1.00 2.28 H new ATOM 0 HG12 VAL A 53 -7.971 23.174 -10.392 1.00 2.28 H new ATOM 0 HG13 VAL A 53 -7.644 22.416 -8.815 1.00 2.28 H new ATOM 0 HG21 VAL A 53 -10.582 22.613 -7.886 1.00 2.29 H new ATOM 0 HG22 VAL A 53 -9.215 23.016 -6.820 1.00 2.29 H new ATOM 0 HG23 VAL A 53 -10.510 24.205 -7.096 1.00 2.29 H new ATOM 819 N GLU A 54 -8.881 27.403 -8.986 1.00 2.26 N ATOM 820 CA GLU A 54 -9.547 28.720 -8.850 1.00 2.45 C ATOM 821 C GLU A 54 -9.031 29.598 -7.686 1.00 2.49 C ATOM 822 O GLU A 54 -9.661 30.597 -7.338 1.00 2.78 O ATOM 823 CB GLU A 54 -11.076 28.573 -8.716 1.00 2.56 C ATOM 824 CG GLU A 54 -11.803 27.761 -9.790 1.00 2.77 C ATOM 825 CD GLU A 54 -13.236 27.576 -9.308 1.00 2.96 C ATOM 826 OE1 GLU A 54 -14.026 28.547 -9.346 1.00 3.72 O ATOM 827 OE2 GLU A 54 -13.510 26.541 -8.660 1.00 3.06 O ATOM 0 H GLU A 54 -8.359 27.319 -9.858 1.00 2.26 H new ATOM 0 HA GLU A 54 -9.289 29.235 -9.775 1.00 2.45 H new ATOM 0 HB2 GLU A 54 -11.287 28.117 -7.749 1.00 2.56 H new ATOM 0 HB3 GLU A 54 -11.510 29.573 -8.698 1.00 2.56 H new ATOM 0 HG2 GLU A 54 -11.782 28.281 -10.748 1.00 2.77 H new ATOM 0 HG3 GLU A 54 -11.318 26.796 -9.940 1.00 2.77 H new ATOM 834 N GLY A 55 -7.916 29.219 -7.057 1.00 2.27 N ATOM 835 CA GLY A 55 -7.463 29.785 -5.772 1.00 2.28 C ATOM 836 C GLY A 55 -8.120 29.124 -4.553 1.00 2.22 C ATOM 837 O GLY A 55 -8.289 29.753 -3.513 1.00 2.37 O ATOM 0 H GLY A 55 -7.291 28.502 -7.425 1.00 2.27 H new ATOM 0 HA2 GLY A 55 -6.381 29.677 -5.696 1.00 2.28 H new ATOM 0 HA3 GLY A 55 -7.678 30.853 -5.757 1.00 2.28 H new ATOM 841 N LYS A 56 -8.540 27.863 -4.701 1.00 2.08 N ATOM 842 CA LYS A 56 -9.169 27.032 -3.680 1.00 2.05 C ATOM 843 C LYS A 56 -8.370 25.725 -3.534 1.00 1.86 C ATOM 844 O LYS A 56 -8.211 24.958 -4.495 1.00 1.74 O ATOM 845 CB LYS A 56 -10.640 26.723 -4.060 1.00 2.19 C ATOM 846 CG LYS A 56 -11.476 27.920 -4.560 1.00 2.67 C ATOM 847 CD LYS A 56 -12.789 27.439 -5.198 1.00 2.85 C ATOM 848 CE LYS A 56 -13.517 28.599 -5.895 1.00 3.41 C ATOM 849 NZ LYS A 56 -14.621 28.109 -6.754 1.00 3.54 N ATOM 0 H LYS A 56 -8.442 27.371 -5.589 1.00 2.08 H new ATOM 0 HA LYS A 56 -9.171 27.567 -2.730 1.00 2.05 H new ATOM 0 HB2 LYS A 56 -10.641 25.956 -4.835 1.00 2.19 H new ATOM 0 HB3 LYS A 56 -11.137 26.297 -3.189 1.00 2.19 H new ATOM 0 HG2 LYS A 56 -11.694 28.590 -3.728 1.00 2.67 H new ATOM 0 HG3 LYS A 56 -10.901 28.493 -5.288 1.00 2.67 H new ATOM 0 HD2 LYS A 56 -12.579 26.650 -5.920 1.00 2.85 H new ATOM 0 HD3 LYS A 56 -13.434 27.008 -4.432 1.00 2.85 H new ATOM 0 HE2 LYS A 56 -13.914 29.284 -5.146 1.00 3.41 H new ATOM 0 HE3 LYS A 56 -12.808 29.164 -6.499 1.00 3.41 H new ATOM 0 HZ1 LYS A 56 -14.665 28.680 -7.622 1.00 3.54 H new ATOM 0 HZ2 LYS A 56 -14.451 27.114 -7.003 1.00 3.54 H new ATOM 0 HZ3 LYS A 56 -15.522 28.189 -6.241 1.00 3.54 H new ATOM 863 N LYS A 57 -7.907 25.437 -2.316 1.00 1.87 N ATOM 864 CA LYS A 57 -7.052 24.291 -2.019 1.00 1.80 C ATOM 865 C LYS A 57 -7.868 22.998 -1.900 1.00 1.71 C ATOM 866 O LYS A 57 -8.754 22.875 -1.046 1.00 1.70 O ATOM 867 CB LYS A 57 -6.155 24.625 -0.806 1.00 1.97 C ATOM 868 CG LYS A 57 -6.875 24.779 0.545 1.00 1.84 C ATOM 869 CD LYS A 57 -6.861 23.465 1.342 1.00 2.83 C ATOM 870 CE LYS A 57 -8.015 23.350 2.348 1.00 4.40 C ATOM 871 NZ LYS A 57 -9.327 23.270 1.657 1.00 5.98 N ATOM 0 H LYS A 57 -8.121 26.005 -1.496 1.00 1.87 H new ATOM 0 HA LYS A 57 -6.375 24.092 -2.850 1.00 1.80 H new ATOM 0 HB2 LYS A 57 -5.405 23.841 -0.708 1.00 1.97 H new ATOM 0 HB3 LYS A 57 -5.622 25.552 -1.018 1.00 1.97 H new ATOM 0 HG2 LYS A 57 -6.394 25.565 1.128 1.00 1.84 H new ATOM 0 HG3 LYS A 57 -7.905 25.093 0.376 1.00 1.84 H new ATOM 0 HD2 LYS A 57 -6.910 22.627 0.647 1.00 2.83 H new ATOM 0 HD3 LYS A 57 -5.914 23.382 1.875 1.00 2.83 H new ATOM 0 HE2 LYS A 57 -7.873 22.464 2.968 1.00 4.40 H new ATOM 0 HE3 LYS A 57 -8.005 24.211 3.016 1.00 4.40 H new ATOM 0 HZ1 LYS A 57 -9.865 24.143 1.831 1.00 5.98 H new ATOM 0 HZ2 LYS A 57 -9.174 23.156 0.635 1.00 5.98 H new ATOM 0 HZ3 LYS A 57 -9.862 22.455 2.020 1.00 5.98 H new ATOM 885 N VAL A 58 -7.539 22.024 -2.737 1.00 1.71 N ATOM 886 CA VAL A 58 -8.165 20.705 -2.857 1.00 1.66 C ATOM 887 C VAL A 58 -7.094 19.631 -2.618 1.00 1.42 C ATOM 888 O VAL A 58 -5.892 19.891 -2.682 1.00 1.41 O ATOM 889 CB VAL A 58 -8.863 20.592 -4.243 1.00 1.75 C ATOM 890 CG1 VAL A 58 -9.382 19.189 -4.592 1.00 2.23 C ATOM 891 CG2 VAL A 58 -10.060 21.560 -4.295 1.00 2.56 C ATOM 0 H VAL A 58 -6.772 22.139 -3.400 1.00 1.71 H new ATOM 0 HA VAL A 58 -8.942 20.558 -2.107 1.00 1.66 H new ATOM 0 HB VAL A 58 -8.091 20.838 -4.972 1.00 1.75 H new ATOM 0 HG11 VAL A 58 -9.852 19.209 -5.575 1.00 2.23 H new ATOM 0 HG12 VAL A 58 -8.550 18.485 -4.602 1.00 2.23 H new ATOM 0 HG13 VAL A 58 -10.113 18.876 -3.847 1.00 2.23 H new ATOM 0 HG21 VAL A 58 -10.550 21.481 -5.266 1.00 2.56 H new ATOM 0 HG22 VAL A 58 -10.770 21.303 -3.509 1.00 2.56 H new ATOM 0 HG23 VAL A 58 -9.709 22.581 -4.147 1.00 2.56 H new ATOM 901 N MET A 59 -7.536 18.422 -2.286 1.00 1.30 N ATOM 902 CA MET A 59 -6.702 17.228 -2.108 1.00 1.09 C ATOM 903 C MET A 59 -7.146 16.122 -3.066 1.00 0.83 C ATOM 904 O MET A 59 -8.276 16.129 -3.547 1.00 1.02 O ATOM 905 CB MET A 59 -6.748 16.769 -0.642 1.00 1.35 C ATOM 906 CG MET A 59 -5.928 17.732 0.222 1.00 1.62 C ATOM 907 SD MET A 59 -6.078 17.453 2.003 1.00 2.02 S ATOM 908 CE MET A 59 -4.340 17.111 2.387 1.00 2.67 C ATOM 0 H MET A 59 -8.526 18.235 -2.126 1.00 1.30 H new ATOM 0 HA MET A 59 -5.667 17.471 -2.348 1.00 1.09 H new ATOM 0 HB2 MET A 59 -7.780 16.738 -0.292 1.00 1.35 H new ATOM 0 HB3 MET A 59 -6.351 15.758 -0.554 1.00 1.35 H new ATOM 0 HG2 MET A 59 -4.878 17.648 -0.059 1.00 1.62 H new ATOM 0 HG3 MET A 59 -6.237 18.753 -0.001 1.00 1.62 H new ATOM 0 HE1 MET A 59 -4.235 16.913 3.454 1.00 2.67 H new ATOM 0 HE2 MET A 59 -4.007 16.240 1.822 1.00 2.67 H new ATOM 0 HE3 MET A 59 -3.731 17.974 2.117 1.00 2.67 H new ATOM 918 N GLY A 60 -6.235 15.200 -3.369 1.00 0.60 N ATOM 919 CA GLY A 60 -6.421 14.163 -4.382 1.00 0.61 C ATOM 920 C GLY A 60 -5.569 12.921 -4.147 1.00 0.57 C ATOM 921 O GLY A 60 -4.899 12.780 -3.130 1.00 0.63 O ATOM 0 H GLY A 60 -5.327 15.152 -2.907 1.00 0.60 H new ATOM 0 HA2 GLY A 60 -7.472 13.874 -4.405 1.00 0.61 H new ATOM 0 HA3 GLY A 60 -6.183 14.577 -5.362 1.00 0.61 H new ATOM 925 N MET A 61 -5.642 11.994 -5.097 1.00 0.57 N ATOM 926 CA MET A 61 -4.977 10.693 -5.092 1.00 0.60 C ATOM 927 C MET A 61 -4.760 10.246 -6.544 1.00 0.63 C ATOM 928 O MET A 61 -5.540 10.623 -7.419 1.00 0.66 O ATOM 929 CB MET A 61 -5.892 9.744 -4.301 1.00 0.72 C ATOM 930 CG MET A 61 -5.549 8.255 -4.363 1.00 0.79 C ATOM 931 SD MET A 61 -6.883 7.097 -3.896 1.00 0.81 S ATOM 932 CE MET A 61 -7.698 7.969 -2.536 1.00 0.86 C ATOM 0 H MET A 61 -6.198 12.138 -5.940 1.00 0.57 H new ATOM 0 HA MET A 61 -3.994 10.713 -4.621 1.00 0.60 H new ATOM 0 HB2 MET A 61 -5.882 10.053 -3.256 1.00 0.72 H new ATOM 0 HB3 MET A 61 -6.912 9.874 -4.662 1.00 0.72 H new ATOM 0 HG2 MET A 61 -5.231 8.019 -5.379 1.00 0.79 H new ATOM 0 HG3 MET A 61 -4.694 8.073 -3.711 1.00 0.79 H new ATOM 0 HE1 MET A 61 -8.421 7.306 -2.060 1.00 0.86 H new ATOM 0 HE2 MET A 61 -6.952 8.278 -1.803 1.00 0.86 H new ATOM 0 HE3 MET A 61 -8.212 8.848 -2.924 1.00 0.86 H new ATOM 942 N ARG A 62 -3.718 9.454 -6.816 1.00 0.67 N ATOM 943 CA ARG A 62 -3.433 8.874 -8.144 1.00 0.86 C ATOM 944 C ARG A 62 -2.442 7.703 -8.041 1.00 0.72 C ATOM 945 O ARG A 62 -1.694 7.669 -7.062 1.00 0.59 O ATOM 946 CB ARG A 62 -2.903 9.947 -9.121 1.00 1.08 C ATOM 947 CG ARG A 62 -1.598 10.617 -8.669 1.00 1.52 C ATOM 948 CD ARG A 62 -0.742 11.116 -9.838 1.00 1.91 C ATOM 949 NE ARG A 62 0.234 10.088 -10.253 1.00 3.33 N ATOM 950 CZ ARG A 62 1.548 10.117 -10.044 1.00 4.37 C ATOM 951 NH1 ARG A 62 2.153 11.096 -9.413 1.00 4.87 N ATOM 952 NH2 ARG A 62 2.277 9.107 -10.456 1.00 5.67 N ATOM 0 H ARG A 62 -3.032 9.189 -6.109 1.00 0.67 H new ATOM 0 HA ARG A 62 -4.373 8.489 -8.539 1.00 0.86 H new ATOM 0 HB2 ARG A 62 -2.744 9.488 -10.097 1.00 1.08 H new ATOM 0 HB3 ARG A 62 -3.667 10.714 -9.250 1.00 1.08 H new ATOM 0 HG2 ARG A 62 -1.835 11.457 -8.016 1.00 1.52 H new ATOM 0 HG3 ARG A 62 -1.018 9.908 -8.079 1.00 1.52 H new ATOM 0 HD2 ARG A 62 -1.384 11.374 -10.680 1.00 1.91 H new ATOM 0 HD3 ARG A 62 -0.217 12.026 -9.547 1.00 1.91 H new ATOM 0 HE ARG A 62 -0.135 9.276 -10.748 1.00 3.33 H new ATOM 0 HH11 ARG A 62 1.612 11.884 -9.056 1.00 4.87 H new ATOM 0 HH12 ARG A 62 3.164 11.069 -9.280 1.00 4.87 H new ATOM 0 HH21 ARG A 62 1.835 8.318 -10.927 1.00 5.67 H new ATOM 0 HH22 ARG A 62 3.286 9.111 -10.305 1.00 5.67 H new ATOM 966 N PRO A 63 -2.382 6.774 -9.015 1.00 0.83 N ATOM 967 CA PRO A 63 -1.394 5.705 -9.001 1.00 0.80 C ATOM 968 C PRO A 63 0.020 6.206 -9.299 1.00 0.74 C ATOM 969 O PRO A 63 0.193 7.140 -10.085 1.00 0.70 O ATOM 970 CB PRO A 63 -1.877 4.667 -10.009 1.00 0.95 C ATOM 971 CG PRO A 63 -2.656 5.509 -11.018 1.00 1.10 C ATOM 972 CD PRO A 63 -3.294 6.588 -10.138 1.00 1.12 C ATOM 0 HA PRO A 63 -1.313 5.267 -8.006 1.00 0.80 H new ATOM 0 HB2 PRO A 63 -1.045 4.141 -10.478 1.00 0.95 H new ATOM 0 HB3 PRO A 63 -2.508 3.912 -9.540 1.00 0.95 H new ATOM 0 HG2 PRO A 63 -2.002 5.940 -11.776 1.00 1.10 H new ATOM 0 HG3 PRO A 63 -3.407 4.919 -11.543 1.00 1.10 H new ATOM 0 HD2 PRO A 63 -3.426 7.517 -10.692 1.00 1.12 H new ATOM 0 HD3 PRO A 63 -4.281 6.279 -9.794 1.00 1.12 H new ATOM 980 N VAL A 64 1.017 5.568 -8.669 1.00 0.85 N ATOM 981 CA VAL A 64 2.456 5.886 -8.812 1.00 0.84 C ATOM 982 C VAL A 64 3.219 4.676 -9.383 1.00 0.74 C ATOM 983 O VAL A 64 2.692 3.567 -9.319 1.00 0.62 O ATOM 984 CB VAL A 64 3.100 6.373 -7.481 1.00 0.85 C ATOM 985 CG1 VAL A 64 3.435 7.868 -7.582 1.00 0.88 C ATOM 986 CG2 VAL A 64 2.226 6.210 -6.230 1.00 1.39 C ATOM 0 H VAL A 64 0.846 4.794 -8.027 1.00 0.85 H new ATOM 0 HA VAL A 64 2.532 6.717 -9.514 1.00 0.84 H new ATOM 0 HB VAL A 64 3.977 5.737 -7.360 1.00 0.85 H new ATOM 0 HG11 VAL A 64 3.885 8.204 -6.648 1.00 0.88 H new ATOM 0 HG12 VAL A 64 4.136 8.029 -8.401 1.00 0.88 H new ATOM 0 HG13 VAL A 64 2.522 8.434 -7.769 1.00 0.88 H new ATOM 0 HG21 VAL A 64 2.766 6.579 -5.358 1.00 1.39 H new ATOM 0 HG22 VAL A 64 1.305 6.779 -6.353 1.00 1.39 H new ATOM 0 HG23 VAL A 64 1.986 5.156 -6.089 1.00 1.39 H new ATOM 996 N PRO A 65 4.420 4.855 -9.975 1.00 0.84 N ATOM 997 CA PRO A 65 5.118 3.783 -10.679 1.00 0.84 C ATOM 998 C PRO A 65 5.847 2.832 -9.723 1.00 0.80 C ATOM 999 O PRO A 65 5.956 1.655 -10.043 1.00 0.80 O ATOM 1000 CB PRO A 65 6.086 4.496 -11.627 1.00 0.99 C ATOM 1001 CG PRO A 65 6.456 5.763 -10.856 1.00 1.06 C ATOM 1002 CD PRO A 65 5.172 6.098 -10.097 1.00 0.99 C ATOM 0 HA PRO A 65 4.421 3.141 -11.218 1.00 0.84 H new ATOM 0 HB2 PRO A 65 6.962 3.885 -11.843 1.00 0.99 H new ATOM 0 HB3 PRO A 65 5.616 4.728 -12.583 1.00 0.99 H new ATOM 0 HG2 PRO A 65 7.292 5.592 -10.178 1.00 1.06 H new ATOM 0 HG3 PRO A 65 6.750 6.571 -11.526 1.00 1.06 H new ATOM 0 HD2 PRO A 65 5.400 6.510 -9.114 1.00 0.99 H new ATOM 0 HD3 PRO A 65 4.592 6.850 -10.631 1.00 0.99 H new ATOM 1010 N PHE A 66 6.318 3.330 -8.572 1.00 0.78 N ATOM 1011 CA PHE A 66 7.061 2.593 -7.544 1.00 0.74 C ATOM 1012 C PHE A 66 7.414 3.501 -6.358 1.00 0.73 C ATOM 1013 O PHE A 66 7.409 4.728 -6.480 1.00 0.75 O ATOM 1014 CB PHE A 66 8.352 1.963 -8.109 1.00 0.72 C ATOM 1015 CG PHE A 66 9.362 2.964 -8.613 1.00 0.71 C ATOM 1016 CD1 PHE A 66 10.256 3.577 -7.718 1.00 2.09 C ATOM 1017 CD2 PHE A 66 9.377 3.316 -9.972 1.00 1.59 C ATOM 1018 CE1 PHE A 66 11.134 4.572 -8.160 1.00 2.08 C ATOM 1019 CE2 PHE A 66 10.281 4.295 -10.428 1.00 1.61 C ATOM 1020 CZ PHE A 66 11.155 4.928 -9.522 1.00 0.69 C ATOM 0 H PHE A 66 6.183 4.309 -8.321 1.00 0.78 H new ATOM 0 HA PHE A 66 6.407 1.792 -7.200 1.00 0.74 H new ATOM 0 HB2 PHE A 66 8.816 1.356 -7.332 1.00 0.72 H new ATOM 0 HB3 PHE A 66 8.087 1.290 -8.924 1.00 0.72 H new ATOM 0 HD1 PHE A 66 10.265 3.277 -6.680 1.00 2.09 H new ATOM 0 HD2 PHE A 66 8.699 2.839 -10.664 1.00 1.59 H new ATOM 0 HE1 PHE A 66 11.793 5.065 -7.460 1.00 2.08 H new ATOM 0 HE2 PHE A 66 10.304 4.561 -11.474 1.00 1.61 H new ATOM 0 HZ PHE A 66 11.840 5.686 -9.872 1.00 0.69 H new ATOM 1030 N LEU A 67 7.813 2.883 -5.245 1.00 0.72 N ATOM 1031 CA LEU A 67 8.519 3.537 -4.140 1.00 0.72 C ATOM 1032 C LEU A 67 9.967 3.051 -4.077 1.00 0.71 C ATOM 1033 O LEU A 67 10.263 1.919 -4.451 1.00 0.71 O ATOM 1034 CB LEU A 67 7.843 3.220 -2.795 1.00 0.76 C ATOM 1035 CG LEU A 67 6.330 3.458 -2.711 1.00 0.78 C ATOM 1036 CD1 LEU A 67 5.886 3.283 -1.260 1.00 0.83 C ATOM 1037 CD2 LEU A 67 5.878 4.838 -3.201 1.00 0.78 C ATOM 0 H LEU A 67 7.650 1.889 -5.082 1.00 0.72 H new ATOM 0 HA LEU A 67 8.490 4.612 -4.319 1.00 0.72 H new ATOM 0 HB2 LEU A 67 8.037 2.175 -2.555 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.325 3.819 -2.022 1.00 0.76 H new ATOM 0 HG LEU A 67 5.867 2.729 -3.376 1.00 0.78 H new ATOM 0 HD11 LEU A 67 4.811 3.450 -1.186 1.00 0.83 H new ATOM 0 HD12 LEU A 67 6.120 2.272 -0.927 1.00 0.83 H new ATOM 0 HD13 LEU A 67 6.409 4.003 -0.630 1.00 0.83 H new ATOM 0 HD21 LEU A 67 4.795 4.921 -3.107 1.00 0.78 H new ATOM 0 HD22 LEU A 67 6.355 5.612 -2.600 1.00 0.78 H new ATOM 0 HD23 LEU A 67 6.162 4.964 -4.246 1.00 0.78 H new ATOM 1049 N GLU A 68 10.849 3.892 -3.549 1.00 0.72 N ATOM 1050 CA GLU A 68 12.256 3.574 -3.294 1.00 0.75 C ATOM 1051 C GLU A 68 12.474 3.491 -1.784 1.00 0.75 C ATOM 1052 O GLU A 68 11.872 4.279 -1.054 1.00 0.83 O ATOM 1053 CB GLU A 68 13.127 4.702 -3.872 1.00 1.00 C ATOM 1054 CG GLU A 68 14.636 4.456 -3.734 1.00 1.00 C ATOM 1055 CD GLU A 68 15.175 3.547 -4.841 1.00 0.92 C ATOM 1056 OE1 GLU A 68 14.480 2.597 -5.263 1.00 1.78 O ATOM 1057 OE2 GLU A 68 16.261 3.855 -5.382 1.00 1.78 O ATOM 0 H GLU A 68 10.601 4.843 -3.277 1.00 0.72 H new ATOM 0 HA GLU A 68 12.522 2.625 -3.758 1.00 0.75 H new ATOM 0 HB2 GLU A 68 12.885 4.830 -4.927 1.00 1.00 H new ATOM 0 HB3 GLU A 68 12.874 5.636 -3.371 1.00 1.00 H new ATOM 0 HG2 GLU A 68 15.162 5.410 -3.761 1.00 1.00 H new ATOM 0 HG3 GLU A 68 14.842 4.005 -2.763 1.00 1.00 H new ATOM 1064 N VAL A 69 13.365 2.599 -1.322 1.00 0.73 N ATOM 1065 CA VAL A 69 13.828 2.584 0.076 1.00 0.78 C ATOM 1066 C VAL A 69 15.346 2.336 0.195 1.00 0.82 C ATOM 1067 O VAL A 69 15.840 1.342 -0.347 1.00 0.84 O ATOM 1068 CB VAL A 69 13.039 1.559 0.937 1.00 0.75 C ATOM 1069 CG1 VAL A 69 13.479 1.550 2.414 1.00 0.82 C ATOM 1070 CG2 VAL A 69 11.529 1.863 0.923 1.00 0.83 C ATOM 0 H VAL A 69 13.783 1.872 -1.903 1.00 0.73 H new ATOM 0 HA VAL A 69 13.629 3.582 0.468 1.00 0.78 H new ATOM 0 HB VAL A 69 13.252 0.589 0.487 1.00 0.75 H new ATOM 0 HG11 VAL A 69 12.892 0.814 2.964 1.00 0.82 H new ATOM 0 HG12 VAL A 69 14.536 1.292 2.477 1.00 0.82 H new ATOM 0 HG13 VAL A 69 13.321 2.538 2.847 1.00 0.82 H new ATOM 0 HG21 VAL A 69 11.004 1.129 1.534 1.00 0.83 H new ATOM 0 HG22 VAL A 69 11.355 2.861 1.325 1.00 0.83 H new ATOM 0 HG23 VAL A 69 11.158 1.815 -0.101 1.00 0.83 H new ATOM 1080 N PRO A 70 16.096 3.200 0.918 1.00 0.90 N ATOM 1081 CA PRO A 70 17.548 3.101 1.063 1.00 0.96 C ATOM 1082 C PRO A 70 17.968 1.939 1.981 1.00 0.94 C ATOM 1083 O PRO A 70 17.157 1.485 2.791 1.00 0.97 O ATOM 1084 CB PRO A 70 17.991 4.456 1.631 1.00 1.06 C ATOM 1085 CG PRO A 70 16.787 4.894 2.458 1.00 1.04 C ATOM 1086 CD PRO A 70 15.617 4.387 1.621 1.00 0.97 C ATOM 0 HA PRO A 70 18.024 2.885 0.106 1.00 0.96 H new ATOM 0 HB2 PRO A 70 18.888 4.363 2.243 1.00 1.06 H new ATOM 0 HB3 PRO A 70 18.218 5.170 0.840 1.00 1.06 H new ATOM 0 HG2 PRO A 70 16.796 4.453 3.455 1.00 1.04 H new ATOM 0 HG3 PRO A 70 16.755 5.976 2.589 1.00 1.04 H new ATOM 0 HD2 PRO A 70 14.763 4.145 2.254 1.00 0.97 H new ATOM 0 HD3 PRO A 70 15.285 5.149 0.915 1.00 0.97 H new ATOM 1094 N PRO A 71 19.225 1.463 1.874 1.00 0.94 N ATOM 1095 CA PRO A 71 19.738 0.311 2.618 1.00 0.87 C ATOM 1096 C PRO A 71 19.631 0.458 4.135 1.00 0.85 C ATOM 1097 O PRO A 71 19.796 1.553 4.669 1.00 0.96 O ATOM 1098 CB PRO A 71 21.180 0.124 2.157 1.00 1.00 C ATOM 1099 CG PRO A 71 21.572 1.444 1.506 1.00 1.10 C ATOM 1100 CD PRO A 71 20.246 1.960 0.964 1.00 1.04 C ATOM 0 HA PRO A 71 19.131 -0.569 2.407 1.00 0.87 H new ATOM 0 HB2 PRO A 71 21.834 -0.109 2.997 1.00 1.00 H new ATOM 0 HB3 PRO A 71 21.262 -0.702 1.451 1.00 1.00 H new ATOM 0 HG2 PRO A 71 22.011 2.135 2.225 1.00 1.10 H new ATOM 0 HG3 PRO A 71 22.305 1.301 0.712 1.00 1.10 H new ATOM 0 HD2 PRO A 71 20.237 3.049 0.924 1.00 1.04 H new ATOM 0 HD3 PRO A 71 20.073 1.602 -0.051 1.00 1.04 H new ATOM 1108 N LYS A 72 19.320 -0.657 4.815 1.00 0.85 N ATOM 1109 CA LYS A 72 19.166 -0.783 6.279 1.00 1.01 C ATOM 1110 C LYS A 72 17.997 0.026 6.874 1.00 1.14 C ATOM 1111 O LYS A 72 17.725 -0.059 8.072 1.00 1.40 O ATOM 1112 CB LYS A 72 20.511 -0.509 6.984 1.00 1.15 C ATOM 1113 CG LYS A 72 21.648 -1.416 6.488 1.00 1.28 C ATOM 1114 CD LYS A 72 21.472 -2.889 6.905 1.00 1.27 C ATOM 1115 CE LYS A 72 22.370 -3.844 6.116 1.00 1.48 C ATOM 1116 NZ LYS A 72 23.815 -3.647 6.366 1.00 1.96 N ATOM 0 H LYS A 72 19.160 -1.543 4.336 1.00 0.85 H new ATOM 0 HA LYS A 72 18.881 -1.817 6.473 1.00 1.01 H new ATOM 0 HB2 LYS A 72 20.791 0.533 6.827 1.00 1.15 H new ATOM 0 HB3 LYS A 72 20.386 -0.647 8.058 1.00 1.15 H new ATOM 0 HG2 LYS A 72 21.704 -1.357 5.401 1.00 1.28 H new ATOM 0 HG3 LYS A 72 22.596 -1.045 6.877 1.00 1.28 H new ATOM 0 HD2 LYS A 72 21.690 -2.989 7.968 1.00 1.27 H new ATOM 0 HD3 LYS A 72 20.431 -3.179 6.765 1.00 1.27 H new ATOM 0 HE2 LYS A 72 22.104 -4.870 6.368 1.00 1.48 H new ATOM 0 HE3 LYS A 72 22.174 -3.716 5.051 1.00 1.48 H new ATOM 0 HZ1 LYS A 72 24.346 -4.461 5.996 1.00 1.96 H new ATOM 0 HZ2 LYS A 72 24.135 -2.780 5.889 1.00 1.96 H new ATOM 0 HZ3 LYS A 72 23.982 -3.561 7.389 1.00 1.96 H new ATOM 1130 N GLY A 73 17.299 0.799 6.039 1.00 1.09 N ATOM 1131 CA GLY A 73 16.165 1.651 6.405 1.00 1.26 C ATOM 1132 C GLY A 73 14.841 0.898 6.556 1.00 1.25 C ATOM 1133 O GLY A 73 14.721 -0.293 6.269 1.00 1.28 O ATOM 0 H GLY A 73 17.519 0.850 5.044 1.00 1.09 H new ATOM 0 HA2 GLY A 73 16.392 2.157 7.344 1.00 1.26 H new ATOM 0 HA3 GLY A 73 16.046 2.425 5.647 1.00 1.26 H new ATOM 1137 N ARG A 74 13.819 1.635 6.999 1.00 1.34 N ATOM 1138 CA ARG A 74 12.424 1.187 7.089 1.00 1.34 C ATOM 1139 C ARG A 74 11.505 2.410 7.044 1.00 1.88 C ATOM 1140 O ARG A 74 11.713 3.352 7.803 1.00 2.66 O ATOM 1141 CB ARG A 74 12.206 0.302 8.333 1.00 1.90 C ATOM 1142 CG ARG A 74 12.418 1.000 9.692 1.00 2.01 C ATOM 1143 CD ARG A 74 11.123 1.469 10.366 1.00 1.87 C ATOM 1144 NE ARG A 74 10.729 0.546 11.445 1.00 2.57 N ATOM 1145 CZ ARG A 74 9.550 0.458 12.049 1.00 3.18 C ATOM 1146 NH1 ARG A 74 8.518 1.203 11.727 1.00 3.46 N ATOM 1147 NH2 ARG A 74 9.394 -0.418 13.009 1.00 4.12 N ATOM 0 H ARG A 74 13.944 2.596 7.317 1.00 1.34 H new ATOM 0 HA ARG A 74 12.176 0.555 6.236 1.00 1.34 H new ATOM 0 HB2 ARG A 74 11.191 -0.093 8.302 1.00 1.90 H new ATOM 0 HB3 ARG A 74 12.882 -0.551 8.273 1.00 1.90 H new ATOM 0 HG2 ARG A 74 12.936 0.315 10.363 1.00 2.01 H new ATOM 0 HG3 ARG A 74 13.072 1.860 9.548 1.00 2.01 H new ATOM 0 HD2 ARG A 74 11.261 2.471 10.772 1.00 1.87 H new ATOM 0 HD3 ARG A 74 10.325 1.532 9.626 1.00 1.87 H new ATOM 0 HE ARG A 74 11.448 -0.103 11.766 1.00 2.57 H new ATOM 0 HH11 ARG A 74 8.600 1.892 10.979 1.00 3.46 H new ATOM 0 HH12 ARG A 74 7.635 1.093 12.225 1.00 3.46 H new ATOM 0 HH21 ARG A 74 10.171 -1.019 13.282 1.00 4.12 H new ATOM 0 HH22 ARG A 74 8.495 -0.499 13.484 1.00 4.12 H new ATOM 1161 N VAL A 75 10.535 2.428 6.137 1.00 1.76 N ATOM 1162 CA VAL A 75 9.768 3.616 5.704 1.00 2.43 C ATOM 1163 C VAL A 75 8.352 3.158 5.357 1.00 1.89 C ATOM 1164 O VAL A 75 8.174 2.039 4.900 1.00 1.81 O ATOM 1165 CB VAL A 75 10.420 4.312 4.477 1.00 3.28 C ATOM 1166 CG1 VAL A 75 9.673 5.603 4.092 1.00 4.14 C ATOM 1167 CG2 VAL A 75 11.900 4.677 4.715 1.00 3.79 C ATOM 0 H VAL A 75 10.239 1.580 5.654 1.00 1.76 H new ATOM 0 HA VAL A 75 9.755 4.347 6.512 1.00 2.43 H new ATOM 0 HB VAL A 75 10.356 3.583 3.670 1.00 3.28 H new ATOM 0 HG11 VAL A 75 10.158 6.061 3.230 1.00 4.14 H new ATOM 0 HG12 VAL A 75 8.639 5.364 3.842 1.00 4.14 H new ATOM 0 HG13 VAL A 75 9.692 6.298 4.931 1.00 4.14 H new ATOM 0 HG21 VAL A 75 12.303 5.160 3.825 1.00 3.79 H new ATOM 0 HG22 VAL A 75 11.975 5.358 5.563 1.00 3.79 H new ATOM 0 HG23 VAL A 75 12.469 3.771 4.925 1.00 3.79 H new ATOM 1177 N GLU A 76 7.331 3.972 5.612 1.00 1.73 N ATOM 1178 CA GLU A 76 5.931 3.527 5.575 1.00 1.30 C ATOM 1179 C GLU A 76 5.189 4.022 4.326 1.00 1.02 C ATOM 1180 O GLU A 76 5.298 5.191 3.946 1.00 1.13 O ATOM 1181 CB GLU A 76 5.142 3.943 6.838 1.00 1.56 C ATOM 1182 CG GLU A 76 5.921 4.600 7.994 1.00 2.22 C ATOM 1183 CD GLU A 76 5.000 5.483 8.830 1.00 2.89 C ATOM 1184 OE1 GLU A 76 4.785 6.637 8.394 1.00 3.79 O ATOM 1185 OE2 GLU A 76 4.516 5.019 9.873 1.00 3.63 O ATOM 0 H GLU A 76 7.445 4.957 5.850 1.00 1.73 H new ATOM 0 HA GLU A 76 5.981 2.439 5.541 1.00 1.30 H new ATOM 0 HB2 GLU A 76 4.357 4.634 6.529 1.00 1.56 H new ATOM 0 HB3 GLU A 76 4.648 3.054 7.231 1.00 1.56 H new ATOM 0 HG2 GLU A 76 6.365 3.830 8.624 1.00 2.22 H new ATOM 0 HG3 GLU A 76 6.741 5.197 7.594 1.00 2.22 H new ATOM 1192 N LEU A 77 4.321 3.163 3.777 1.00 0.81 N ATOM 1193 CA LEU A 77 3.144 3.599 3.033 1.00 0.77 C ATOM 1194 C LEU A 77 2.165 4.224 4.027 1.00 1.06 C ATOM 1195 O LEU A 77 1.257 3.570 4.537 1.00 2.06 O ATOM 1196 CB LEU A 77 2.522 2.425 2.252 1.00 0.68 C ATOM 1197 CG LEU A 77 3.362 2.042 1.022 1.00 0.74 C ATOM 1198 CD1 LEU A 77 4.246 0.816 1.279 1.00 0.73 C ATOM 1199 CD2 LEU A 77 2.457 1.786 -0.190 1.00 1.08 C ATOM 0 H LEU A 77 4.419 2.150 3.839 1.00 0.81 H new ATOM 0 HA LEU A 77 3.415 4.345 2.286 1.00 0.77 H new ATOM 0 HB2 LEU A 77 2.428 1.561 2.910 1.00 0.68 H new ATOM 0 HB3 LEU A 77 1.515 2.694 1.934 1.00 0.68 H new ATOM 0 HG LEU A 77 4.020 2.886 0.813 1.00 0.74 H new ATOM 0 HD11 LEU A 77 4.819 0.586 0.381 1.00 0.73 H new ATOM 0 HD12 LEU A 77 4.929 1.026 2.102 1.00 0.73 H new ATOM 0 HD13 LEU A 77 3.619 -0.037 1.538 1.00 0.73 H new ATOM 0 HD21 LEU A 77 3.069 1.516 -1.051 1.00 1.08 H new ATOM 0 HD22 LEU A 77 1.769 0.971 0.035 1.00 1.08 H new ATOM 0 HD23 LEU A 77 1.889 2.688 -0.417 1.00 1.08 H new ATOM 1211 N LYS A 78 2.433 5.476 4.390 1.00 1.01 N ATOM 1212 CA LYS A 78 1.721 6.159 5.462 1.00 1.16 C ATOM 1213 C LYS A 78 0.290 6.579 5.062 1.00 1.06 C ATOM 1214 O LYS A 78 0.076 7.030 3.925 1.00 1.03 O ATOM 1215 CB LYS A 78 2.564 7.347 5.960 1.00 1.56 C ATOM 1216 CG LYS A 78 2.834 8.439 4.908 1.00 1.20 C ATOM 1217 CD LYS A 78 3.501 9.701 5.474 1.00 2.19 C ATOM 1218 CE LYS A 78 4.864 9.469 6.151 1.00 2.77 C ATOM 1219 NZ LYS A 78 4.741 9.119 7.589 1.00 4.12 N ATOM 0 H LYS A 78 3.153 6.046 3.946 1.00 1.01 H new ATOM 0 HA LYS A 78 1.587 5.455 6.284 1.00 1.16 H new ATOM 0 HB2 LYS A 78 2.057 7.801 6.812 1.00 1.56 H new ATOM 0 HB3 LYS A 78 3.520 6.968 6.323 1.00 1.56 H new ATOM 0 HG2 LYS A 78 3.469 8.025 4.125 1.00 1.20 H new ATOM 0 HG3 LYS A 78 1.891 8.718 4.439 1.00 1.20 H new ATOM 0 HD2 LYS A 78 3.632 10.419 4.664 1.00 2.19 H new ATOM 0 HD3 LYS A 78 2.826 10.157 6.198 1.00 2.19 H new ATOM 0 HE2 LYS A 78 5.391 8.669 5.631 1.00 2.77 H new ATOM 0 HE3 LYS A 78 5.472 10.368 6.052 1.00 2.77 H new ATOM 0 HZ1 LYS A 78 5.322 9.769 8.156 1.00 4.12 H new ATOM 0 HZ2 LYS A 78 3.746 9.199 7.882 1.00 4.12 H new ATOM 0 HZ3 LYS A 78 5.068 8.143 7.738 1.00 4.12 H new ATOM 1233 N PRO A 79 -0.668 6.580 6.013 1.00 1.24 N ATOM 1234 CA PRO A 79 -1.919 7.301 5.835 1.00 1.52 C ATOM 1235 C PRO A 79 -1.614 8.781 5.583 1.00 1.81 C ATOM 1236 O PRO A 79 -0.775 9.377 6.258 1.00 3.68 O ATOM 1237 CB PRO A 79 -2.736 7.058 7.106 1.00 1.77 C ATOM 1238 CG PRO A 79 -1.665 6.797 8.164 1.00 1.69 C ATOM 1239 CD PRO A 79 -0.574 6.074 7.377 1.00 1.47 C ATOM 0 HA PRO A 79 -2.493 6.960 4.973 1.00 1.52 H new ATOM 0 HB2 PRO A 79 -3.352 7.921 7.360 1.00 1.77 H new ATOM 0 HB3 PRO A 79 -3.409 6.208 6.996 1.00 1.77 H new ATOM 0 HG2 PRO A 79 -1.298 7.724 8.604 1.00 1.69 H new ATOM 0 HG3 PRO A 79 -2.046 6.185 8.982 1.00 1.69 H new ATOM 0 HD2 PRO A 79 0.411 6.272 7.801 1.00 1.47 H new ATOM 0 HD3 PRO A 79 -0.722 4.994 7.405 1.00 1.47 H new ATOM 1247 N GLY A 80 -2.272 9.348 4.569 1.00 1.10 N ATOM 1248 CA GLY A 80 -2.089 10.739 4.156 1.00 1.17 C ATOM 1249 C GLY A 80 -1.119 10.963 2.993 1.00 1.13 C ATOM 1250 O GLY A 80 -1.154 12.065 2.451 1.00 1.72 O ATOM 0 H GLY A 80 -2.957 8.845 4.004 1.00 1.10 H new ATOM 0 HA2 GLY A 80 -3.061 11.147 3.879 1.00 1.17 H new ATOM 0 HA3 GLY A 80 -1.736 11.310 5.015 1.00 1.17 H new ATOM 1254 N GLY A 81 -0.300 9.979 2.566 1.00 0.90 N ATOM 1255 CA GLY A 81 0.553 10.181 1.370 1.00 0.93 C ATOM 1256 C GLY A 81 0.867 9.020 0.442 1.00 1.07 C ATOM 1257 O GLY A 81 0.988 9.263 -0.749 1.00 2.05 O ATOM 0 H GLY A 81 -0.210 9.066 3.012 1.00 0.90 H new ATOM 0 HA2 GLY A 81 0.082 10.957 0.766 1.00 0.93 H new ATOM 0 HA3 GLY A 81 1.505 10.581 1.718 1.00 0.93 H new ATOM 1261 N TYR A 82 0.963 7.783 0.915 1.00 0.89 N ATOM 1262 CA TYR A 82 1.172 6.602 0.053 1.00 0.87 C ATOM 1263 C TYR A 82 0.432 5.376 0.558 1.00 0.85 C ATOM 1264 O TYR A 82 0.376 5.128 1.757 1.00 0.91 O ATOM 1265 CB TYR A 82 2.649 6.247 -0.078 1.00 0.99 C ATOM 1266 CG TYR A 82 3.432 7.275 -0.852 1.00 0.98 C ATOM 1267 CD1 TYR A 82 3.393 7.254 -2.258 1.00 1.41 C ATOM 1268 CD2 TYR A 82 4.125 8.293 -0.174 1.00 2.32 C ATOM 1269 CE1 TYR A 82 4.085 8.230 -2.995 1.00 1.44 C ATOM 1270 CE2 TYR A 82 4.786 9.294 -0.906 1.00 2.34 C ATOM 1271 CZ TYR A 82 4.776 9.260 -2.319 1.00 1.05 C ATOM 1272 OH TYR A 82 5.420 10.223 -3.031 1.00 1.13 O ATOM 0 H TYR A 82 0.899 7.559 1.908 1.00 0.89 H new ATOM 0 HA TYR A 82 0.773 6.884 -0.921 1.00 0.87 H new ATOM 0 HB2 TYR A 82 3.082 6.141 0.917 1.00 0.99 H new ATOM 0 HB3 TYR A 82 2.743 5.279 -0.571 1.00 0.99 H new ATOM 0 HD1 TYR A 82 2.831 6.488 -2.771 1.00 1.41 H new ATOM 0 HD2 TYR A 82 4.149 8.306 0.906 1.00 2.32 H new ATOM 0 HE1 TYR A 82 4.089 8.193 -4.074 1.00 1.44 H new ATOM 0 HE2 TYR A 82 5.302 10.090 -0.389 1.00 2.34 H new ATOM 0 HH TYR A 82 5.844 10.857 -2.415 1.00 1.13 H new ATOM 1282 N HIS A 83 -0.157 4.613 -0.349 1.00 0.81 N ATOM 1283 CA HIS A 83 -0.959 3.444 0.027 1.00 0.84 C ATOM 1284 C HIS A 83 -1.177 2.513 -1.164 1.00 0.84 C ATOM 1285 O HIS A 83 -1.232 2.979 -2.303 1.00 0.84 O ATOM 1286 CB HIS A 83 -2.286 3.879 0.672 1.00 0.87 C ATOM 1287 CG HIS A 83 -3.150 4.719 -0.230 1.00 0.86 C ATOM 1288 ND1 HIS A 83 -2.974 6.053 -0.531 1.00 0.83 N ATOM 1289 CD2 HIS A 83 -4.175 4.252 -1.005 1.00 0.88 C ATOM 1290 CE1 HIS A 83 -3.857 6.381 -1.487 1.00 0.84 C ATOM 1291 NE2 HIS A 83 -4.618 5.319 -1.787 1.00 0.87 N ATOM 0 H HIS A 83 -0.099 4.777 -1.354 1.00 0.81 H new ATOM 0 HA HIS A 83 -0.404 2.875 0.773 1.00 0.84 H new ATOM 0 HB2 HIS A 83 -2.843 2.991 0.970 1.00 0.87 H new ATOM 0 HB3 HIS A 83 -2.071 4.441 1.581 1.00 0.87 H new ATOM 0 HD2 HIS A 83 -4.568 3.246 -1.011 1.00 0.88 H new ATOM 0 HE1 HIS A 83 -3.942 7.355 -1.946 1.00 0.84 H new ATOM 0 HE2 HIS A 83 -5.381 5.295 -2.463 1.00 0.87 H new ATOM 1299 N PHE A 84 -1.388 1.225 -0.897 1.00 0.89 N ATOM 1300 CA PHE A 84 -1.931 0.323 -1.906 1.00 0.93 C ATOM 1301 C PHE A 84 -3.449 0.510 -1.999 1.00 0.91 C ATOM 1302 O PHE A 84 -4.120 0.703 -0.987 1.00 0.94 O ATOM 1303 CB PHE A 84 -1.523 -1.123 -1.599 1.00 1.00 C ATOM 1304 CG PHE A 84 -0.066 -1.407 -1.911 1.00 0.90 C ATOM 1305 CD1 PHE A 84 0.328 -1.619 -3.246 1.00 1.64 C ATOM 1306 CD2 PHE A 84 0.904 -1.435 -0.888 1.00 2.65 C ATOM 1307 CE1 PHE A 84 1.673 -1.870 -3.559 1.00 1.76 C ATOM 1308 CE2 PHE A 84 2.252 -1.693 -1.201 1.00 2.53 C ATOM 1309 CZ PHE A 84 2.633 -1.913 -2.536 1.00 0.79 C ATOM 0 H PHE A 84 -1.192 0.787 0.003 1.00 0.89 H new ATOM 0 HA PHE A 84 -1.516 0.561 -2.885 1.00 0.93 H new ATOM 0 HB2 PHE A 84 -1.711 -1.332 -0.546 1.00 1.00 H new ATOM 0 HB3 PHE A 84 -2.151 -1.802 -2.175 1.00 1.00 H new ATOM 0 HD1 PHE A 84 -0.410 -1.588 -4.034 1.00 1.64 H new ATOM 0 HD2 PHE A 84 0.612 -1.258 0.137 1.00 2.65 H new ATOM 0 HE1 PHE A 84 1.969 -2.030 -4.585 1.00 1.76 H new ATOM 0 HE2 PHE A 84 2.993 -1.722 -0.416 1.00 2.53 H new ATOM 0 HZ PHE A 84 3.667 -2.116 -2.775 1.00 0.79 H new ATOM 1319 N MET A 85 -3.996 0.433 -3.213 1.00 0.87 N ATOM 1320 CA MET A 85 -5.418 0.273 -3.514 1.00 0.83 C ATOM 1321 C MET A 85 -5.621 -1.166 -3.972 1.00 0.73 C ATOM 1322 O MET A 85 -4.924 -1.624 -4.878 1.00 0.71 O ATOM 1323 CB MET A 85 -5.860 1.223 -4.623 1.00 0.90 C ATOM 1324 CG MET A 85 -7.281 1.734 -4.364 1.00 0.89 C ATOM 1325 SD MET A 85 -7.407 3.042 -3.100 1.00 0.92 S ATOM 1326 CE MET A 85 -9.217 3.086 -2.938 1.00 0.70 C ATOM 0 H MET A 85 -3.427 0.483 -4.058 1.00 0.87 H new ATOM 0 HA MET A 85 -6.010 0.502 -2.628 1.00 0.83 H new ATOM 0 HB2 MET A 85 -5.171 2.065 -4.683 1.00 0.90 H new ATOM 0 HB3 MET A 85 -5.822 0.711 -5.584 1.00 0.90 H new ATOM 0 HG2 MET A 85 -7.692 2.113 -5.300 1.00 0.89 H new ATOM 0 HG3 MET A 85 -7.904 0.893 -4.059 1.00 0.89 H new ATOM 0 HE1 MET A 85 -9.498 3.836 -2.199 1.00 0.70 H new ATOM 0 HE2 MET A 85 -9.662 3.339 -3.900 1.00 0.70 H new ATOM 0 HE3 MET A 85 -9.577 2.109 -2.618 1.00 0.70 H new ATOM 1336 N LEU A 86 -6.556 -1.871 -3.348 1.00 0.72 N ATOM 1337 CA LEU A 86 -6.851 -3.276 -3.632 1.00 0.67 C ATOM 1338 C LEU A 86 -8.162 -3.354 -4.413 1.00 0.61 C ATOM 1339 O LEU A 86 -9.149 -2.715 -4.038 1.00 0.59 O ATOM 1340 CB LEU A 86 -6.952 -4.085 -2.327 1.00 0.62 C ATOM 1341 CG LEU A 86 -5.632 -4.403 -1.590 1.00 0.70 C ATOM 1342 CD1 LEU A 86 -4.838 -3.173 -1.123 1.00 0.85 C ATOM 1343 CD2 LEU A 86 -5.969 -5.251 -0.356 1.00 0.68 C ATOM 0 H LEU A 86 -7.145 -1.477 -2.614 1.00 0.72 H new ATOM 0 HA LEU A 86 -6.044 -3.705 -4.226 1.00 0.67 H new ATOM 0 HB2 LEU A 86 -7.599 -3.539 -1.640 1.00 0.62 H new ATOM 0 HB3 LEU A 86 -7.449 -5.029 -2.552 1.00 0.62 H new ATOM 0 HG LEU A 86 -4.997 -4.920 -2.309 1.00 0.70 H new ATOM 0 HD11 LEU A 86 -3.929 -3.498 -0.617 1.00 0.85 H new ATOM 0 HD12 LEU A 86 -4.575 -2.561 -1.986 1.00 0.85 H new ATOM 0 HD13 LEU A 86 -5.447 -2.587 -0.435 1.00 0.85 H new ATOM 0 HD21 LEU A 86 -5.052 -5.490 0.183 1.00 0.68 H new ATOM 0 HD22 LEU A 86 -6.639 -4.692 0.297 1.00 0.68 H new ATOM 0 HD23 LEU A 86 -6.455 -6.174 -0.671 1.00 0.68 H new ATOM 1355 N LEU A 87 -8.168 -4.117 -5.509 1.00 0.66 N ATOM 1356 CA LEU A 87 -9.297 -4.224 -6.428 1.00 0.68 C ATOM 1357 C LEU A 87 -9.779 -5.674 -6.513 1.00 0.65 C ATOM 1358 O LEU A 87 -8.998 -6.605 -6.719 1.00 0.66 O ATOM 1359 CB LEU A 87 -8.882 -3.726 -7.832 1.00 1.00 C ATOM 1360 CG LEU A 87 -8.674 -2.213 -8.061 1.00 1.36 C ATOM 1361 CD1 LEU A 87 -9.945 -1.409 -7.752 1.00 1.58 C ATOM 1362 CD2 LEU A 87 -7.503 -1.628 -7.266 1.00 3.53 C ATOM 0 H LEU A 87 -7.370 -4.689 -5.785 1.00 0.66 H new ATOM 0 HA LEU A 87 -10.112 -3.605 -6.054 1.00 0.68 H new ATOM 0 HB2 LEU A 87 -7.952 -4.229 -8.098 1.00 1.00 H new ATOM 0 HB3 LEU A 87 -9.641 -4.064 -8.538 1.00 1.00 H new ATOM 0 HG LEU A 87 -8.433 -2.123 -9.120 1.00 1.36 H new ATOM 0 HD11 LEU A 87 -9.757 -0.350 -7.926 1.00 1.58 H new ATOM 0 HD12 LEU A 87 -10.754 -1.745 -8.400 1.00 1.58 H new ATOM 0 HD13 LEU A 87 -10.228 -1.561 -6.710 1.00 1.58 H new ATOM 0 HD21 LEU A 87 -7.417 -0.562 -7.476 1.00 3.53 H new ATOM 0 HD22 LEU A 87 -7.678 -1.775 -6.200 1.00 3.53 H new ATOM 0 HD23 LEU A 87 -6.580 -2.131 -7.555 1.00 3.53 H new ATOM 1374 N GLY A 88 -11.093 -5.853 -6.391 1.00 0.73 N ATOM 1375 CA GLY A 88 -11.787 -7.125 -6.635 1.00 0.76 C ATOM 1376 C GLY A 88 -11.555 -8.184 -5.554 1.00 0.69 C ATOM 1377 O GLY A 88 -11.233 -9.323 -5.892 1.00 0.80 O ATOM 0 H GLY A 88 -11.724 -5.101 -6.113 1.00 0.73 H new ATOM 0 HA2 GLY A 88 -12.857 -6.933 -6.716 1.00 0.76 H new ATOM 0 HA3 GLY A 88 -11.462 -7.525 -7.595 1.00 0.76 H new ATOM 1381 N LEU A 89 -11.678 -7.814 -4.271 1.00 0.66 N ATOM 1382 CA LEU A 89 -11.492 -8.728 -3.133 1.00 0.61 C ATOM 1383 C LEU A 89 -12.293 -10.038 -3.180 1.00 0.65 C ATOM 1384 O LEU A 89 -13.384 -10.149 -3.733 1.00 0.93 O ATOM 1385 CB LEU A 89 -11.604 -8.019 -1.764 1.00 0.76 C ATOM 1386 CG LEU A 89 -12.776 -7.043 -1.521 1.00 0.87 C ATOM 1387 CD1 LEU A 89 -14.153 -7.694 -1.725 1.00 1.26 C ATOM 1388 CD2 LEU A 89 -12.658 -6.472 -0.100 1.00 1.35 C ATOM 0 H LEU A 89 -11.912 -6.862 -3.991 1.00 0.66 H new ATOM 0 HA LEU A 89 -10.458 -9.054 -3.250 1.00 0.61 H new ATOM 0 HB2 LEU A 89 -11.654 -8.791 -0.996 1.00 0.76 H new ATOM 0 HB3 LEU A 89 -10.678 -7.468 -1.602 1.00 0.76 H new ATOM 0 HG LEU A 89 -12.706 -6.246 -2.261 1.00 0.87 H new ATOM 0 HD11 LEU A 89 -14.935 -6.957 -1.540 1.00 1.26 H new ATOM 0 HD12 LEU A 89 -14.234 -8.060 -2.749 1.00 1.26 H new ATOM 0 HD13 LEU A 89 -14.268 -8.527 -1.032 1.00 1.26 H new ATOM 0 HD21 LEU A 89 -13.481 -5.781 0.084 1.00 1.35 H new ATOM 0 HD22 LEU A 89 -12.699 -7.286 0.624 1.00 1.35 H new ATOM 0 HD23 LEU A 89 -11.710 -5.943 0.002 1.00 1.35 H new ATOM 1400 N LYS A 90 -11.688 -11.064 -2.576 1.00 0.62 N ATOM 1401 CA LYS A 90 -12.154 -12.466 -2.626 1.00 0.68 C ATOM 1402 C LYS A 90 -12.828 -12.943 -1.319 1.00 0.79 C ATOM 1403 O LYS A 90 -13.225 -14.106 -1.179 1.00 0.87 O ATOM 1404 CB LYS A 90 -10.983 -13.364 -3.065 1.00 0.66 C ATOM 1405 CG LYS A 90 -10.277 -12.903 -4.362 1.00 0.69 C ATOM 1406 CD LYS A 90 -11.216 -12.783 -5.574 1.00 1.25 C ATOM 1407 CE LYS A 90 -10.555 -12.249 -6.856 1.00 1.24 C ATOM 1408 NZ LYS A 90 -9.327 -12.981 -7.251 1.00 1.98 N ATOM 0 H LYS A 90 -10.839 -10.947 -2.023 1.00 0.62 H new ATOM 0 HA LYS A 90 -12.951 -12.537 -3.366 1.00 0.68 H new ATOM 0 HB2 LYS A 90 -10.249 -13.403 -2.260 1.00 0.66 H new ATOM 0 HB3 LYS A 90 -11.353 -14.379 -3.208 1.00 0.66 H new ATOM 0 HG2 LYS A 90 -9.805 -11.937 -4.183 1.00 0.69 H new ATOM 0 HG3 LYS A 90 -9.480 -13.608 -4.600 1.00 0.69 H new ATOM 0 HD2 LYS A 90 -11.642 -13.764 -5.784 1.00 1.25 H new ATOM 0 HD3 LYS A 90 -12.045 -12.126 -5.309 1.00 1.25 H new ATOM 0 HE2 LYS A 90 -11.275 -12.301 -7.673 1.00 1.24 H new ATOM 0 HE3 LYS A 90 -10.309 -11.197 -6.714 1.00 1.24 H new ATOM 0 HZ1 LYS A 90 -9.285 -13.055 -8.288 1.00 1.98 H new ATOM 0 HZ2 LYS A 90 -8.491 -12.468 -6.906 1.00 1.98 H new ATOM 0 HZ3 LYS A 90 -9.343 -13.935 -6.837 1.00 1.98 H new ATOM 1422 N ARG A 91 -12.972 -12.020 -0.365 1.00 0.91 N ATOM 1423 CA ARG A 91 -13.777 -12.105 0.856 1.00 1.04 C ATOM 1424 C ARG A 91 -14.345 -10.707 1.157 1.00 0.98 C ATOM 1425 O ARG A 91 -13.578 -9.752 1.026 1.00 0.96 O ATOM 1426 CB ARG A 91 -12.892 -12.511 2.054 1.00 1.21 C ATOM 1427 CG ARG A 91 -12.388 -13.958 2.028 1.00 1.87 C ATOM 1428 CD ARG A 91 -13.544 -14.943 2.237 1.00 3.26 C ATOM 1429 NE ARG A 91 -13.074 -16.339 2.260 1.00 3.78 N ATOM 1430 CZ ARG A 91 -12.994 -17.162 1.222 1.00 5.08 C ATOM 1431 NH1 ARG A 91 -13.263 -16.771 -0.007 1.00 6.10 N ATOM 1432 NH2 ARG A 91 -12.621 -18.410 1.408 1.00 5.93 N ATOM 0 H ARG A 91 -12.491 -11.123 -0.432 1.00 0.91 H new ATOM 0 HA ARG A 91 -14.567 -12.842 0.711 1.00 1.04 H new ATOM 0 HB2 ARG A 91 -12.031 -11.843 2.093 1.00 1.21 H new ATOM 0 HB3 ARG A 91 -13.458 -12.356 2.973 1.00 1.21 H new ATOM 0 HG2 ARG A 91 -11.900 -14.160 1.075 1.00 1.87 H new ATOM 0 HG3 ARG A 91 -11.638 -14.100 2.806 1.00 1.87 H new ATOM 0 HD2 ARG A 91 -14.052 -14.715 3.174 1.00 3.26 H new ATOM 0 HD3 ARG A 91 -14.276 -14.819 1.439 1.00 3.26 H new ATOM 0 HE ARG A 91 -12.781 -16.710 3.164 1.00 3.78 H new ATOM 0 HH11 ARG A 91 -13.544 -15.807 -0.185 1.00 6.10 H new ATOM 0 HH12 ARG A 91 -13.190 -17.432 -0.780 1.00 6.10 H new ATOM 0 HH21 ARG A 91 -12.395 -18.740 2.346 1.00 5.93 H new ATOM 0 HH22 ARG A 91 -12.558 -19.047 0.614 1.00 5.93 H new ATOM 1446 N PRO A 92 -15.612 -10.565 1.593 1.00 1.17 N ATOM 1447 CA PRO A 92 -16.000 -9.406 2.386 1.00 1.21 C ATOM 1448 C PRO A 92 -15.222 -9.464 3.706 1.00 1.38 C ATOM 1449 O PRO A 92 -14.806 -10.543 4.129 1.00 1.73 O ATOM 1450 CB PRO A 92 -17.511 -9.533 2.588 1.00 1.50 C ATOM 1451 CG PRO A 92 -17.724 -11.048 2.606 1.00 1.70 C ATOM 1452 CD PRO A 92 -16.658 -11.579 1.643 1.00 1.48 C ATOM 0 HA PRO A 92 -15.776 -8.448 1.917 1.00 1.21 H new ATOM 0 HB2 PRO A 92 -17.835 -9.068 3.519 1.00 1.50 H new ATOM 0 HB3 PRO A 92 -18.068 -9.056 1.782 1.00 1.50 H new ATOM 0 HG2 PRO A 92 -17.597 -11.458 3.608 1.00 1.70 H new ATOM 0 HG3 PRO A 92 -18.728 -11.315 2.277 1.00 1.70 H new ATOM 0 HD2 PRO A 92 -16.260 -12.532 1.991 1.00 1.48 H new ATOM 0 HD3 PRO A 92 -17.080 -11.752 0.653 1.00 1.48 H new ATOM 1460 N LEU A 93 -15.017 -8.316 4.352 1.00 1.55 N ATOM 1461 CA LEU A 93 -14.191 -8.186 5.545 1.00 1.83 C ATOM 1462 C LEU A 93 -14.921 -7.276 6.529 1.00 1.77 C ATOM 1463 O LEU A 93 -15.222 -6.138 6.197 1.00 1.83 O ATOM 1464 CB LEU A 93 -12.758 -7.703 5.190 1.00 2.06 C ATOM 1465 CG LEU A 93 -12.506 -6.940 3.868 1.00 1.70 C ATOM 1466 CD1 LEU A 93 -13.220 -5.583 3.799 1.00 2.82 C ATOM 1467 CD2 LEU A 93 -10.996 -6.698 3.709 1.00 1.93 C ATOM 0 H LEU A 93 -15.431 -7.434 4.051 1.00 1.55 H new ATOM 0 HA LEU A 93 -14.046 -9.155 6.022 1.00 1.83 H new ATOM 0 HB2 LEU A 93 -12.421 -7.062 6.004 1.00 2.06 H new ATOM 0 HB3 LEU A 93 -12.111 -8.580 5.187 1.00 2.06 H new ATOM 0 HG LEU A 93 -12.907 -7.562 3.068 1.00 1.70 H new ATOM 0 HD11 LEU A 93 -12.999 -5.104 2.845 1.00 2.82 H new ATOM 0 HD12 LEU A 93 -14.296 -5.733 3.889 1.00 2.82 H new ATOM 0 HD13 LEU A 93 -12.873 -4.947 4.614 1.00 2.82 H new ATOM 0 HD21 LEU A 93 -10.810 -6.160 2.779 1.00 1.93 H new ATOM 0 HD22 LEU A 93 -10.632 -6.107 4.549 1.00 1.93 H new ATOM 0 HD23 LEU A 93 -10.475 -7.655 3.686 1.00 1.93 H new ATOM 1479 N LYS A 94 -15.228 -7.750 7.742 1.00 1.94 N ATOM 1480 CA LYS A 94 -16.143 -7.013 8.659 1.00 2.15 C ATOM 1481 C LYS A 94 -15.485 -5.967 9.570 1.00 2.39 C ATOM 1482 O LYS A 94 -16.086 -5.468 10.518 1.00 4.33 O ATOM 1483 CB LYS A 94 -17.144 -7.941 9.378 1.00 2.44 C ATOM 1484 CG LYS A 94 -16.708 -8.588 10.709 1.00 2.72 C ATOM 1485 CD LYS A 94 -15.803 -9.810 10.545 1.00 3.11 C ATOM 1486 CE LYS A 94 -14.360 -9.640 11.025 1.00 4.38 C ATOM 1487 NZ LYS A 94 -14.173 -9.291 12.444 1.00 5.65 N ATOM 0 H LYS A 94 -14.869 -8.627 8.119 1.00 1.94 H new ATOM 0 HA LYS A 94 -16.736 -6.389 7.990 1.00 2.15 H new ATOM 0 HB2 LYS A 94 -18.052 -7.369 9.567 1.00 2.44 H new ATOM 0 HB3 LYS A 94 -17.410 -8.743 8.689 1.00 2.44 H new ATOM 0 HG2 LYS A 94 -16.187 -7.842 11.309 1.00 2.72 H new ATOM 0 HG3 LYS A 94 -17.598 -8.881 11.266 1.00 2.72 H new ATOM 0 HD2 LYS A 94 -16.250 -10.644 11.086 1.00 3.11 H new ATOM 0 HD3 LYS A 94 -15.785 -10.086 9.491 1.00 3.11 H new ATOM 0 HE2 LYS A 94 -13.824 -10.569 10.829 1.00 4.38 H new ATOM 0 HE3 LYS A 94 -13.888 -8.866 10.419 1.00 4.38 H new ATOM 0 HZ1 LYS A 94 -13.198 -9.514 12.731 1.00 5.65 H new ATOM 0 HZ2 LYS A 94 -14.350 -8.275 12.578 1.00 5.65 H new ATOM 0 HZ3 LYS A 94 -14.839 -9.838 13.027 1.00 5.65 H new ATOM 1501 N ALA A 95 -14.238 -5.670 9.221 1.00 1.38 N ATOM 1502 CA ALA A 95 -13.203 -4.989 9.997 1.00 1.42 C ATOM 1503 C ALA A 95 -12.823 -5.791 11.259 1.00 1.13 C ATOM 1504 O ALA A 95 -13.580 -6.643 11.737 1.00 1.15 O ATOM 1505 CB ALA A 95 -13.621 -3.544 10.282 1.00 1.77 C ATOM 0 H ALA A 95 -13.891 -5.925 8.296 1.00 1.38 H new ATOM 0 HA ALA A 95 -12.288 -4.937 9.407 1.00 1.42 H new ATOM 0 HB1 ALA A 95 -12.842 -3.047 10.861 1.00 1.77 H new ATOM 0 HB2 ALA A 95 -13.767 -3.015 9.340 1.00 1.77 H new ATOM 0 HB3 ALA A 95 -14.552 -3.540 10.848 1.00 1.77 H new ATOM 1511 N GLY A 96 -11.597 -5.600 11.747 1.00 1.12 N ATOM 1512 CA GLY A 96 -11.011 -6.498 12.749 1.00 1.19 C ATOM 1513 C GLY A 96 -10.840 -7.898 12.155 1.00 1.16 C ATOM 1514 O GLY A 96 -11.358 -8.869 12.706 1.00 1.67 O ATOM 0 H GLY A 96 -10.988 -4.831 11.466 1.00 1.12 H new ATOM 0 HA2 GLY A 96 -10.046 -6.112 13.076 1.00 1.19 H new ATOM 0 HA3 GLY A 96 -11.652 -6.543 13.630 1.00 1.19 H new ATOM 1518 N GLU A 97 -10.206 -7.945 10.983 1.00 0.94 N ATOM 1519 CA GLU A 97 -9.790 -9.151 10.257 1.00 0.90 C ATOM 1520 C GLU A 97 -8.252 -9.137 10.164 1.00 0.75 C ATOM 1521 O GLU A 97 -7.614 -8.177 10.610 1.00 0.69 O ATOM 1522 CB GLU A 97 -10.362 -9.150 8.823 1.00 0.96 C ATOM 1523 CG GLU A 97 -11.859 -8.910 8.660 1.00 1.51 C ATOM 1524 CD GLU A 97 -12.662 -10.199 8.685 1.00 1.29 C ATOM 1525 OE1 GLU A 97 -12.308 -11.095 9.479 1.00 2.38 O ATOM 1526 OE2 GLU A 97 -13.726 -10.198 8.036 1.00 2.02 O ATOM 0 H GLU A 97 -9.953 -7.093 10.483 1.00 0.94 H new ATOM 0 HA GLU A 97 -10.155 -10.034 10.782 1.00 0.90 H new ATOM 0 HB2 GLU A 97 -9.835 -8.386 8.252 1.00 0.96 H new ATOM 0 HB3 GLU A 97 -10.124 -10.110 8.366 1.00 0.96 H new ATOM 0 HG2 GLU A 97 -12.207 -8.254 9.457 1.00 1.51 H new ATOM 0 HG3 GLU A 97 -12.040 -8.391 7.718 1.00 1.51 H new ATOM 1533 N GLU A 98 -7.665 -10.128 9.494 1.00 0.79 N ATOM 1534 CA GLU A 98 -6.252 -10.246 9.199 1.00 0.77 C ATOM 1535 C GLU A 98 -6.107 -11.130 7.962 1.00 0.92 C ATOM 1536 O GLU A 98 -6.812 -12.123 7.808 1.00 1.29 O ATOM 1537 CB GLU A 98 -5.444 -10.760 10.404 1.00 1.10 C ATOM 1538 CG GLU A 98 -5.873 -12.140 10.928 1.00 1.77 C ATOM 1539 CD GLU A 98 -4.996 -12.551 12.105 1.00 2.44 C ATOM 1540 OE1 GLU A 98 -3.869 -13.026 11.832 1.00 3.11 O ATOM 1541 OE2 GLU A 98 -5.436 -12.355 13.259 1.00 3.27 O ATOM 0 H GLU A 98 -8.202 -10.912 9.124 1.00 0.79 H new ATOM 0 HA GLU A 98 -5.831 -9.263 8.990 1.00 0.77 H new ATOM 0 HB2 GLU A 98 -4.391 -10.804 10.125 1.00 1.10 H new ATOM 0 HB3 GLU A 98 -5.529 -10.037 11.215 1.00 1.10 H new ATOM 0 HG2 GLU A 98 -6.918 -12.111 11.236 1.00 1.77 H new ATOM 0 HG3 GLU A 98 -5.796 -12.880 10.131 1.00 1.77 H new ATOM 1548 N VAL A 99 -5.249 -10.702 7.044 1.00 0.88 N ATOM 1549 CA VAL A 99 -4.979 -11.351 5.747 1.00 1.28 C ATOM 1550 C VAL A 99 -3.539 -11.052 5.310 1.00 1.02 C ATOM 1551 O VAL A 99 -2.984 -10.007 5.648 1.00 0.95 O ATOM 1552 CB VAL A 99 -5.963 -10.917 4.622 1.00 1.90 C ATOM 1553 CG1 VAL A 99 -5.964 -11.958 3.486 1.00 3.07 C ATOM 1554 CG2 VAL A 99 -7.426 -10.692 5.055 1.00 1.59 C ATOM 0 H VAL A 99 -4.693 -9.857 7.180 1.00 0.88 H new ATOM 0 HA VAL A 99 -5.123 -12.421 5.897 1.00 1.28 H new ATOM 0 HB VAL A 99 -5.583 -9.947 4.302 1.00 1.90 H new ATOM 0 HG11 VAL A 99 -6.656 -11.643 2.705 1.00 3.07 H new ATOM 0 HG12 VAL A 99 -4.960 -12.043 3.069 1.00 3.07 H new ATOM 0 HG13 VAL A 99 -6.276 -12.925 3.879 1.00 3.07 H new ATOM 0 HG21 VAL A 99 -8.019 -10.393 4.191 1.00 1.59 H new ATOM 0 HG22 VAL A 99 -7.829 -11.616 5.470 1.00 1.59 H new ATOM 0 HG23 VAL A 99 -7.465 -9.908 5.811 1.00 1.59 H new ATOM 1564 N GLU A 100 -2.930 -11.959 4.545 1.00 1.01 N ATOM 1565 CA GLU A 100 -1.572 -11.785 4.035 1.00 0.90 C ATOM 1566 C GLU A 100 -1.480 -10.847 2.813 1.00 0.84 C ATOM 1567 O GLU A 100 -2.398 -10.747 1.991 1.00 0.83 O ATOM 1568 CB GLU A 100 -0.919 -13.147 3.761 1.00 1.06 C ATOM 1569 CG GLU A 100 -1.665 -14.013 2.738 1.00 1.61 C ATOM 1570 CD GLU A 100 -0.683 -14.681 1.781 1.00 1.85 C ATOM 1571 OE1 GLU A 100 0.088 -15.551 2.240 1.00 1.99 O ATOM 1572 OE2 GLU A 100 -0.660 -14.268 0.602 1.00 2.96 O ATOM 0 H GLU A 100 -3.367 -12.836 4.262 1.00 1.01 H new ATOM 0 HA GLU A 100 -1.010 -11.281 4.821 1.00 0.90 H new ATOM 0 HB2 GLU A 100 0.099 -12.984 3.407 1.00 1.06 H new ATOM 0 HB3 GLU A 100 -0.846 -13.697 4.699 1.00 1.06 H new ATOM 0 HG2 GLU A 100 -2.251 -14.773 3.255 1.00 1.61 H new ATOM 0 HG3 GLU A 100 -2.367 -13.397 2.176 1.00 1.61 H new ATOM 1579 N LEU A 101 -0.328 -10.178 2.705 1.00 0.84 N ATOM 1580 CA LEU A 101 0.111 -9.395 1.547 1.00 0.78 C ATOM 1581 C LEU A 101 1.496 -9.871 1.077 1.00 0.68 C ATOM 1582 O LEU A 101 2.387 -10.137 1.886 1.00 0.76 O ATOM 1583 CB LEU A 101 0.161 -7.885 1.888 1.00 0.96 C ATOM 1584 CG LEU A 101 -0.969 -7.060 1.237 1.00 1.10 C ATOM 1585 CD1 LEU A 101 -2.304 -7.197 1.982 1.00 1.99 C ATOM 1586 CD2 LEU A 101 -0.573 -5.579 1.181 1.00 1.59 C ATOM 0 H LEU A 101 0.357 -10.168 3.461 1.00 0.84 H new ATOM 0 HA LEU A 101 -0.610 -9.544 0.744 1.00 0.78 H new ATOM 0 HB2 LEU A 101 0.108 -7.765 2.970 1.00 0.96 H new ATOM 0 HB3 LEU A 101 1.122 -7.482 1.569 1.00 0.96 H new ATOM 0 HG LEU A 101 -1.108 -7.455 0.231 1.00 1.10 H new ATOM 0 HD11 LEU A 101 -3.063 -6.596 1.481 1.00 1.99 H new ATOM 0 HD12 LEU A 101 -2.613 -8.242 1.986 1.00 1.99 H new ATOM 0 HD13 LEU A 101 -2.185 -6.850 3.008 1.00 1.99 H new ATOM 0 HD21 LEU A 101 -1.377 -5.005 0.720 1.00 1.59 H new ATOM 0 HD22 LEU A 101 -0.398 -5.211 2.192 1.00 1.59 H new ATOM 0 HD23 LEU A 101 0.337 -5.468 0.591 1.00 1.59 H new ATOM 1598 N ASP A 102 1.675 -9.912 -0.239 1.00 0.61 N ATOM 1599 CA ASP A 102 2.967 -10.016 -0.931 1.00 0.59 C ATOM 1600 C ASP A 102 3.398 -8.620 -1.388 1.00 0.69 C ATOM 1601 O ASP A 102 2.565 -7.792 -1.763 1.00 0.97 O ATOM 1602 CB ASP A 102 2.832 -10.903 -2.187 1.00 0.66 C ATOM 1603 CG ASP A 102 3.468 -12.289 -2.133 1.00 1.28 C ATOM 1604 OD1 ASP A 102 4.450 -12.504 -1.389 1.00 2.33 O ATOM 1605 OD2 ASP A 102 2.948 -13.192 -2.828 1.00 1.92 O ATOM 0 H ASP A 102 0.889 -9.872 -0.888 1.00 0.61 H new ATOM 0 HA ASP A 102 3.697 -10.451 -0.248 1.00 0.59 H new ATOM 0 HB2 ASP A 102 1.770 -11.026 -2.401 1.00 0.66 H new ATOM 0 HB3 ASP A 102 3.266 -10.364 -3.029 1.00 0.66 H new ATOM 1610 N LEU A 103 4.705 -8.376 -1.426 1.00 0.56 N ATOM 1611 CA LEU A 103 5.311 -7.151 -1.944 1.00 0.56 C ATOM 1612 C LEU A 103 6.262 -7.493 -3.097 1.00 0.58 C ATOM 1613 O LEU A 103 7.048 -8.436 -2.993 1.00 0.65 O ATOM 1614 CB LEU A 103 6.036 -6.419 -0.804 1.00 0.67 C ATOM 1615 CG LEU A 103 5.090 -5.828 0.265 1.00 0.76 C ATOM 1616 CD1 LEU A 103 4.740 -6.812 1.392 1.00 0.77 C ATOM 1617 CD2 LEU A 103 5.757 -4.619 0.917 1.00 1.08 C ATOM 0 H LEU A 103 5.395 -9.047 -1.086 1.00 0.56 H new ATOM 0 HA LEU A 103 4.541 -6.486 -2.335 1.00 0.56 H new ATOM 0 HB2 LEU A 103 6.725 -7.112 -0.321 1.00 0.67 H new ATOM 0 HB3 LEU A 103 6.637 -5.614 -1.227 1.00 0.67 H new ATOM 0 HG LEU A 103 4.170 -5.569 -0.260 1.00 0.76 H new ATOM 0 HD11 LEU A 103 4.073 -6.327 2.104 1.00 0.77 H new ATOM 0 HD12 LEU A 103 4.246 -7.687 0.970 1.00 0.77 H new ATOM 0 HD13 LEU A 103 5.653 -7.121 1.902 1.00 0.77 H new ATOM 0 HD21 LEU A 103 5.092 -4.200 1.672 1.00 1.08 H new ATOM 0 HD22 LEU A 103 6.691 -4.928 1.387 1.00 1.08 H new ATOM 0 HD23 LEU A 103 5.965 -3.865 0.158 1.00 1.08 H new ATOM 1629 N LEU A 104 6.167 -6.746 -4.202 1.00 0.58 N ATOM 1630 CA LEU A 104 6.905 -6.976 -5.445 1.00 0.60 C ATOM 1631 C LEU A 104 7.951 -5.873 -5.655 1.00 0.61 C ATOM 1632 O LEU A 104 7.633 -4.680 -5.725 1.00 0.71 O ATOM 1633 CB LEU A 104 5.913 -7.017 -6.626 1.00 0.60 C ATOM 1634 CG LEU A 104 4.783 -8.066 -6.542 1.00 0.62 C ATOM 1635 CD1 LEU A 104 3.904 -7.992 -7.798 1.00 0.66 C ATOM 1636 CD2 LEU A 104 5.319 -9.497 -6.387 1.00 0.65 C ATOM 0 H LEU A 104 5.551 -5.935 -4.255 1.00 0.58 H new ATOM 0 HA LEU A 104 7.428 -7.930 -5.385 1.00 0.60 H new ATOM 0 HB2 LEU A 104 5.457 -6.032 -6.723 1.00 0.60 H new ATOM 0 HB3 LEU A 104 6.479 -7.198 -7.540 1.00 0.60 H new ATOM 0 HG LEU A 104 4.198 -7.831 -5.653 1.00 0.62 H new ATOM 0 HD11 LEU A 104 3.110 -8.735 -7.730 1.00 0.66 H new ATOM 0 HD12 LEU A 104 3.465 -6.998 -7.877 1.00 0.66 H new ATOM 0 HD13 LEU A 104 4.513 -8.191 -8.680 1.00 0.66 H new ATOM 0 HD21 LEU A 104 4.483 -10.195 -6.333 1.00 0.65 H new ATOM 0 HD22 LEU A 104 5.945 -9.746 -7.244 1.00 0.65 H new ATOM 0 HD23 LEU A 104 5.910 -9.567 -5.474 1.00 0.65 H new ATOM 1648 N PHE A 105 9.217 -6.268 -5.784 1.00 0.59 N ATOM 1649 CA PHE A 105 10.355 -5.353 -5.863 1.00 0.67 C ATOM 1650 C PHE A 105 11.126 -5.521 -7.184 1.00 0.74 C ATOM 1651 O PHE A 105 11.214 -6.619 -7.738 1.00 0.91 O ATOM 1652 CB PHE A 105 11.285 -5.622 -4.681 1.00 0.73 C ATOM 1653 CG PHE A 105 10.666 -5.356 -3.325 1.00 0.67 C ATOM 1654 CD1 PHE A 105 9.994 -6.383 -2.636 1.00 1.72 C ATOM 1655 CD2 PHE A 105 10.825 -4.097 -2.718 1.00 1.99 C ATOM 1656 CE1 PHE A 105 9.518 -6.159 -1.332 1.00 1.80 C ATOM 1657 CE2 PHE A 105 10.395 -3.895 -1.400 1.00 1.91 C ATOM 1658 CZ PHE A 105 9.732 -4.921 -0.707 1.00 0.65 C ATOM 0 H PHE A 105 9.485 -7.251 -5.837 1.00 0.59 H new ATOM 0 HA PHE A 105 9.982 -4.329 -5.828 1.00 0.67 H new ATOM 0 HB2 PHE A 105 11.611 -6.661 -4.720 1.00 0.73 H new ATOM 0 HB3 PHE A 105 12.176 -5.004 -4.788 1.00 0.73 H new ATOM 0 HD1 PHE A 105 9.844 -7.342 -3.109 1.00 1.72 H new ATOM 0 HD2 PHE A 105 11.279 -3.286 -3.268 1.00 1.99 H new ATOM 0 HE1 PHE A 105 8.987 -6.941 -0.810 1.00 1.80 H new ATOM 0 HE2 PHE A 105 10.574 -2.947 -0.915 1.00 1.91 H new ATOM 0 HZ PHE A 105 9.388 -4.758 0.304 1.00 0.65 H new ATOM 1668 N ALA A 106 11.753 -4.443 -7.663 1.00 0.74 N ATOM 1669 CA ALA A 106 12.593 -4.472 -8.861 1.00 0.80 C ATOM 1670 C ALA A 106 13.740 -5.497 -8.731 1.00 1.44 C ATOM 1671 O ALA A 106 14.408 -5.573 -7.692 1.00 2.17 O ATOM 1672 CB ALA A 106 13.122 -3.060 -9.144 1.00 1.25 C ATOM 0 H ALA A 106 11.691 -3.522 -7.228 1.00 0.74 H new ATOM 0 HA ALA A 106 11.988 -4.797 -9.707 1.00 0.80 H new ATOM 0 HB1 ALA A 106 13.748 -3.078 -10.036 1.00 1.25 H new ATOM 0 HB2 ALA A 106 12.283 -2.382 -9.303 1.00 1.25 H new ATOM 0 HB3 ALA A 106 13.711 -2.715 -8.294 1.00 1.25 H new ATOM 1678 N GLY A 107 13.982 -6.282 -9.789 1.00 1.94 N ATOM 1679 CA GLY A 107 15.041 -7.302 -9.824 1.00 2.77 C ATOM 1680 C GLY A 107 14.633 -8.660 -9.243 1.00 2.33 C ATOM 1681 O GLY A 107 15.481 -9.337 -8.672 1.00 3.18 O ATOM 0 H GLY A 107 13.444 -6.227 -10.654 1.00 1.94 H new ATOM 0 HA2 GLY A 107 15.358 -7.443 -10.857 1.00 2.77 H new ATOM 0 HA3 GLY A 107 15.905 -6.930 -9.273 1.00 2.77 H new ATOM 1685 N GLY A 108 13.356 -9.048 -9.357 1.00 1.39 N ATOM 1686 CA GLY A 108 12.886 -10.421 -9.096 1.00 1.40 C ATOM 1687 C GLY A 108 12.660 -10.784 -7.628 1.00 1.32 C ATOM 1688 O GLY A 108 12.427 -11.947 -7.315 1.00 1.80 O ATOM 0 H GLY A 108 12.609 -8.412 -9.636 1.00 1.39 H new ATOM 0 HA2 GLY A 108 11.951 -10.572 -9.635 1.00 1.40 H new ATOM 0 HA3 GLY A 108 13.612 -11.118 -9.515 1.00 1.40 H new ATOM 1692 N LYS A 109 12.723 -9.814 -6.710 1.00 1.06 N ATOM 1693 CA LYS A 109 12.489 -10.071 -5.285 1.00 0.98 C ATOM 1694 C LYS A 109 11.005 -9.958 -4.917 1.00 0.86 C ATOM 1695 O LYS A 109 10.336 -9.006 -5.314 1.00 0.83 O ATOM 1696 CB LYS A 109 13.342 -9.152 -4.399 1.00 1.04 C ATOM 1697 CG LYS A 109 14.841 -9.440 -4.542 1.00 1.32 C ATOM 1698 CD LYS A 109 15.553 -8.436 -5.465 1.00 1.64 C ATOM 1699 CE LYS A 109 15.800 -7.085 -4.783 1.00 3.03 C ATOM 1700 NZ LYS A 109 16.361 -6.099 -5.740 1.00 3.76 N ATOM 0 H LYS A 109 12.935 -8.841 -6.929 1.00 1.06 H new ATOM 0 HA LYS A 109 12.796 -11.100 -5.098 1.00 0.98 H new ATOM 0 HB2 LYS A 109 13.147 -8.112 -4.662 1.00 1.04 H new ATOM 0 HB3 LYS A 109 13.047 -9.278 -3.357 1.00 1.04 H new ATOM 0 HG2 LYS A 109 15.307 -9.415 -3.557 1.00 1.32 H new ATOM 0 HG3 LYS A 109 14.977 -10.448 -4.934 1.00 1.32 H new ATOM 0 HD2 LYS A 109 16.506 -8.856 -5.788 1.00 1.64 H new ATOM 0 HD3 LYS A 109 14.952 -8.282 -6.362 1.00 1.64 H new ATOM 0 HE2 LYS A 109 14.865 -6.705 -4.371 1.00 3.03 H new ATOM 0 HE3 LYS A 109 16.487 -7.216 -3.947 1.00 3.03 H new ATOM 0 HZ1 LYS A 109 16.471 -5.180 -5.267 1.00 3.76 H new ATOM 0 HZ2 LYS A 109 17.289 -6.429 -6.075 1.00 3.76 H new ATOM 0 HZ3 LYS A 109 15.717 -5.996 -6.550 1.00 3.76 H new ATOM 1714 N VAL A 110 10.553 -10.892 -4.085 1.00 0.90 N ATOM 1715 CA VAL A 110 9.208 -10.946 -3.507 1.00 0.82 C ATOM 1716 C VAL A 110 9.293 -11.192 -2.000 1.00 0.84 C ATOM 1717 O VAL A 110 10.209 -11.884 -1.552 1.00 0.95 O ATOM 1718 CB VAL A 110 8.351 -12.016 -4.221 1.00 0.85 C ATOM 1719 CG1 VAL A 110 8.906 -13.444 -4.070 1.00 1.95 C ATOM 1720 CG2 VAL A 110 6.881 -11.996 -3.769 1.00 1.91 C ATOM 0 H VAL A 110 11.139 -11.669 -3.780 1.00 0.90 H new ATOM 0 HA VAL A 110 8.715 -9.986 -3.659 1.00 0.82 H new ATOM 0 HB VAL A 110 8.401 -11.742 -5.275 1.00 0.85 H new ATOM 0 HG11 VAL A 110 8.256 -14.144 -4.595 1.00 1.95 H new ATOM 0 HG12 VAL A 110 9.909 -13.491 -4.494 1.00 1.95 H new ATOM 0 HG13 VAL A 110 8.946 -13.709 -3.013 1.00 1.95 H new ATOM 0 HG21 VAL A 110 6.326 -12.768 -4.302 1.00 1.91 H new ATOM 0 HG22 VAL A 110 6.827 -12.186 -2.697 1.00 1.91 H new ATOM 0 HG23 VAL A 110 6.447 -11.020 -3.987 1.00 1.91 H new ATOM 1730 N LEU A 111 8.365 -10.611 -1.228 1.00 0.76 N ATOM 1731 CA LEU A 111 8.382 -10.641 0.238 1.00 0.82 C ATOM 1732 C LEU A 111 6.949 -10.688 0.797 1.00 0.75 C ATOM 1733 O LEU A 111 6.153 -9.791 0.538 1.00 1.00 O ATOM 1734 CB LEU A 111 9.158 -9.398 0.734 1.00 0.96 C ATOM 1735 CG LEU A 111 9.939 -9.569 2.051 1.00 1.10 C ATOM 1736 CD1 LEU A 111 10.670 -8.254 2.368 1.00 2.64 C ATOM 1737 CD2 LEU A 111 9.062 -9.962 3.244 1.00 2.13 C ATOM 0 H LEU A 111 7.570 -10.100 -1.612 1.00 0.76 H new ATOM 0 HA LEU A 111 8.882 -11.541 0.596 1.00 0.82 H new ATOM 0 HB2 LEU A 111 9.859 -9.098 -0.045 1.00 0.96 H new ATOM 0 HB3 LEU A 111 8.450 -8.578 0.859 1.00 0.96 H new ATOM 0 HG LEU A 111 10.639 -10.391 1.900 1.00 1.10 H new ATOM 0 HD11 LEU A 111 11.227 -8.362 3.299 1.00 2.64 H new ATOM 0 HD12 LEU A 111 11.360 -8.017 1.558 1.00 2.64 H new ATOM 0 HD13 LEU A 111 9.942 -7.449 2.472 1.00 2.64 H new ATOM 0 HD21 LEU A 111 9.683 -10.064 4.134 1.00 2.13 H new ATOM 0 HD22 LEU A 111 8.310 -9.191 3.412 1.00 2.13 H new ATOM 0 HD23 LEU A 111 8.568 -10.911 3.036 1.00 2.13 H new ATOM 1749 N LYS A 112 6.613 -11.719 1.580 1.00 0.76 N ATOM 1750 CA LYS A 112 5.309 -11.851 2.233 1.00 0.88 C ATOM 1751 C LYS A 112 5.279 -11.225 3.649 1.00 0.86 C ATOM 1752 O LYS A 112 6.154 -11.497 4.467 1.00 1.04 O ATOM 1753 CB LYS A 112 4.949 -13.351 2.267 1.00 1.25 C ATOM 1754 CG LYS A 112 3.459 -13.611 2.550 1.00 1.41 C ATOM 1755 CD LYS A 112 2.543 -13.283 1.359 1.00 1.96 C ATOM 1756 CE LYS A 112 2.265 -14.486 0.454 1.00 2.03 C ATOM 1757 NZ LYS A 112 3.396 -14.861 -0.411 1.00 3.09 N ATOM 0 H LYS A 112 7.247 -12.493 1.779 1.00 0.76 H new ATOM 0 HA LYS A 112 4.566 -11.295 1.662 1.00 0.88 H new ATOM 0 HB2 LYS A 112 5.215 -13.804 1.312 1.00 1.25 H new ATOM 0 HB3 LYS A 112 5.549 -13.845 3.032 1.00 1.25 H new ATOM 0 HG2 LYS A 112 3.326 -14.658 2.823 1.00 1.41 H new ATOM 0 HG3 LYS A 112 3.151 -13.016 3.410 1.00 1.41 H new ATOM 0 HD2 LYS A 112 1.596 -12.895 1.735 1.00 1.96 H new ATOM 0 HD3 LYS A 112 3.000 -12.490 0.767 1.00 1.96 H new ATOM 0 HE2 LYS A 112 1.998 -15.341 1.075 1.00 2.03 H new ATOM 0 HE3 LYS A 112 1.401 -14.264 -0.172 1.00 2.03 H new ATOM 0 HZ1 LYS A 112 3.039 -15.139 -1.347 1.00 3.09 H new ATOM 0 HZ2 LYS A 112 4.039 -14.050 -0.513 1.00 3.09 H new ATOM 0 HZ3 LYS A 112 3.909 -15.659 0.015 1.00 3.09 H new ATOM 1771 N VAL A 113 4.226 -10.466 3.952 1.00 0.77 N ATOM 1772 CA VAL A 113 3.826 -10.015 5.303 1.00 0.85 C ATOM 1773 C VAL A 113 2.417 -10.527 5.635 1.00 0.92 C ATOM 1774 O VAL A 113 1.659 -10.854 4.726 1.00 0.99 O ATOM 1775 CB VAL A 113 3.846 -8.472 5.431 1.00 1.02 C ATOM 1776 CG1 VAL A 113 5.281 -7.927 5.343 1.00 1.59 C ATOM 1777 CG2 VAL A 113 2.944 -7.765 4.408 1.00 2.27 C ATOM 0 H VAL A 113 3.590 -10.127 3.231 1.00 0.77 H new ATOM 0 HA VAL A 113 4.552 -10.425 6.006 1.00 0.85 H new ATOM 0 HB VAL A 113 3.438 -8.250 6.417 1.00 1.02 H new ATOM 0 HG11 VAL A 113 5.264 -6.841 5.436 1.00 1.59 H new ATOM 0 HG12 VAL A 113 5.881 -8.351 6.148 1.00 1.59 H new ATOM 0 HG13 VAL A 113 5.716 -8.202 4.382 1.00 1.59 H new ATOM 0 HG21 VAL A 113 3.005 -6.686 4.553 1.00 2.27 H new ATOM 0 HG22 VAL A 113 3.273 -8.014 3.399 1.00 2.27 H new ATOM 0 HG23 VAL A 113 1.913 -8.092 4.545 1.00 2.27 H new ATOM 1787 N VAL A 114 2.050 -10.562 6.918 1.00 1.05 N ATOM 1788 CA VAL A 114 0.663 -10.773 7.377 1.00 1.05 C ATOM 1789 C VAL A 114 0.213 -9.503 8.091 1.00 1.05 C ATOM 1790 O VAL A 114 0.972 -8.975 8.902 1.00 1.26 O ATOM 1791 CB VAL A 114 0.523 -12.002 8.307 1.00 1.21 C ATOM 1792 CG1 VAL A 114 -0.941 -12.222 8.720 1.00 1.72 C ATOM 1793 CG2 VAL A 114 1.038 -13.276 7.611 1.00 1.68 C ATOM 0 H VAL A 114 2.713 -10.443 7.684 1.00 1.05 H new ATOM 0 HA VAL A 114 0.032 -10.980 6.513 1.00 1.05 H new ATOM 0 HB VAL A 114 1.121 -11.802 9.196 1.00 1.21 H new ATOM 0 HG11 VAL A 114 -1.008 -13.092 9.373 1.00 1.72 H new ATOM 0 HG12 VAL A 114 -1.306 -11.342 9.250 1.00 1.72 H new ATOM 0 HG13 VAL A 114 -1.549 -12.388 7.831 1.00 1.72 H new ATOM 0 HG21 VAL A 114 0.930 -14.127 8.283 1.00 1.68 H new ATOM 0 HG22 VAL A 114 0.460 -13.454 6.704 1.00 1.68 H new ATOM 0 HG23 VAL A 114 2.089 -13.150 7.352 1.00 1.68 H new ATOM 1803 N LEU A 115 -0.988 -8.998 7.765 1.00 0.92 N ATOM 1804 CA LEU A 115 -1.487 -7.696 8.222 1.00 0.90 C ATOM 1805 C LEU A 115 -2.960 -7.769 8.688 1.00 0.79 C ATOM 1806 O LEU A 115 -3.762 -8.465 8.053 1.00 0.83 O ATOM 1807 CB LEU A 115 -1.384 -6.672 7.070 1.00 1.05 C ATOM 1808 CG LEU A 115 0.030 -6.399 6.518 1.00 1.36 C ATOM 1809 CD1 LEU A 115 -0.072 -5.414 5.346 1.00 1.74 C ATOM 1810 CD2 LEU A 115 0.981 -5.816 7.574 1.00 2.46 C ATOM 0 H LEU A 115 -1.649 -9.493 7.166 1.00 0.92 H new ATOM 0 HA LEU A 115 -0.875 -7.391 9.071 1.00 0.90 H new ATOM 0 HB2 LEU A 115 -2.010 -7.019 6.248 1.00 1.05 H new ATOM 0 HB3 LEU A 115 -1.804 -5.727 7.414 1.00 1.05 H new ATOM 0 HG LEU A 115 0.443 -7.356 6.199 1.00 1.36 H new ATOM 0 HD11 LEU A 115 0.924 -5.216 4.950 1.00 1.74 H new ATOM 0 HD12 LEU A 115 -0.695 -5.844 4.562 1.00 1.74 H new ATOM 0 HD13 LEU A 115 -0.517 -4.481 5.692 1.00 1.74 H new ATOM 0 HD21 LEU A 115 1.960 -5.645 7.127 1.00 2.46 H new ATOM 0 HD22 LEU A 115 0.581 -4.872 7.943 1.00 2.46 H new ATOM 0 HD23 LEU A 115 1.078 -6.517 8.403 1.00 2.46 H new ATOM 1822 N PRO A 116 -3.341 -7.005 9.734 1.00 0.68 N ATOM 1823 CA PRO A 116 -4.724 -6.827 10.158 1.00 0.61 C ATOM 1824 C PRO A 116 -5.526 -5.899 9.226 1.00 0.59 C ATOM 1825 O PRO A 116 -5.000 -5.275 8.304 1.00 0.82 O ATOM 1826 CB PRO A 116 -4.641 -6.266 11.584 1.00 0.67 C ATOM 1827 CG PRO A 116 -3.346 -5.460 11.554 1.00 0.64 C ATOM 1828 CD PRO A 116 -2.453 -6.324 10.668 1.00 0.69 C ATOM 0 HA PRO A 116 -5.264 -7.773 10.121 1.00 0.61 H new ATOM 0 HB2 PRO A 116 -5.501 -5.641 11.824 1.00 0.67 H new ATOM 0 HB3 PRO A 116 -4.606 -7.060 12.330 1.00 0.67 H new ATOM 0 HG2 PRO A 116 -3.495 -4.465 11.136 1.00 0.64 H new ATOM 0 HG3 PRO A 116 -2.925 -5.327 12.551 1.00 0.64 H new ATOM 0 HD2 PRO A 116 -1.724 -5.712 10.136 1.00 0.69 H new ATOM 0 HD3 PRO A 116 -1.891 -7.043 11.265 1.00 0.69 H new ATOM 1836 N VAL A 117 -6.825 -5.796 9.504 1.00 0.63 N ATOM 1837 CA VAL A 117 -7.789 -4.872 8.882 1.00 0.69 C ATOM 1838 C VAL A 117 -8.451 -3.993 9.959 1.00 0.73 C ATOM 1839 O VAL A 117 -8.982 -4.527 10.931 1.00 0.75 O ATOM 1840 CB VAL A 117 -8.885 -5.653 8.114 1.00 0.70 C ATOM 1841 CG1 VAL A 117 -9.878 -4.726 7.387 1.00 0.79 C ATOM 1842 CG2 VAL A 117 -8.275 -6.660 7.118 1.00 0.70 C ATOM 0 H VAL A 117 -7.264 -6.387 10.210 1.00 0.63 H new ATOM 0 HA VAL A 117 -7.246 -4.242 8.178 1.00 0.69 H new ATOM 0 HB VAL A 117 -9.443 -6.204 8.871 1.00 0.70 H new ATOM 0 HG11 VAL A 117 -10.623 -5.328 6.866 1.00 0.79 H new ATOM 0 HG12 VAL A 117 -10.374 -4.083 8.114 1.00 0.79 H new ATOM 0 HG13 VAL A 117 -9.340 -4.111 6.666 1.00 0.79 H new ATOM 0 HG21 VAL A 117 -9.075 -7.188 6.599 1.00 0.70 H new ATOM 0 HG22 VAL A 117 -7.661 -6.127 6.392 1.00 0.70 H new ATOM 0 HG23 VAL A 117 -7.657 -7.377 7.658 1.00 0.70 H new ATOM 1852 N GLU A 118 -8.462 -2.674 9.754 1.00 0.82 N ATOM 1853 CA GLU A 118 -9.177 -1.661 10.543 1.00 0.81 C ATOM 1854 C GLU A 118 -10.221 -0.938 9.665 1.00 0.93 C ATOM 1855 O GLU A 118 -10.254 -1.120 8.443 1.00 1.22 O ATOM 1856 CB GLU A 118 -8.180 -0.662 11.177 1.00 1.10 C ATOM 1857 CG GLU A 118 -8.129 -0.727 12.714 1.00 1.93 C ATOM 1858 CD GLU A 118 -9.362 -0.115 13.392 1.00 2.95 C ATOM 1859 OE1 GLU A 118 -10.482 -0.528 13.006 1.00 3.59 O ATOM 1860 OE2 GLU A 118 -9.171 0.748 14.279 1.00 3.99 O ATOM 0 H GLU A 118 -7.939 -2.256 8.984 1.00 0.82 H new ATOM 0 HA GLU A 118 -9.708 -2.157 11.356 1.00 0.81 H new ATOM 0 HB2 GLU A 118 -7.183 -0.857 10.781 1.00 1.10 H new ATOM 0 HB3 GLU A 118 -8.451 0.349 10.874 1.00 1.10 H new ATOM 0 HG2 GLU A 118 -8.033 -1.768 13.023 1.00 1.93 H new ATOM 0 HG3 GLU A 118 -7.237 -0.207 13.063 1.00 1.93 H new ATOM 1867 N ALA A 119 -11.112 -0.179 10.301 1.00 1.08 N ATOM 1868 CA ALA A 119 -12.403 0.255 9.766 1.00 1.46 C ATOM 1869 C ALA A 119 -12.429 1.620 9.032 1.00 2.11 C ATOM 1870 O ALA A 119 -11.429 2.327 8.884 1.00 2.63 O ATOM 1871 CB ALA A 119 -13.392 0.232 10.942 1.00 1.65 C ATOM 0 H ALA A 119 -10.947 0.166 11.246 1.00 1.08 H new ATOM 0 HA ALA A 119 -12.673 -0.436 8.968 1.00 1.46 H new ATOM 0 HB1 ALA A 119 -14.376 0.549 10.596 1.00 1.65 H new ATOM 0 HB2 ALA A 119 -13.457 -0.779 11.343 1.00 1.65 H new ATOM 0 HB3 ALA A 119 -13.046 0.910 11.722 1.00 1.65 H new ATOM 1877 N ARG A 120 -13.649 1.986 8.608 1.00 3.14 N ATOM 1878 CA ARG A 120 -14.179 3.354 8.473 1.00 4.02 C ATOM 1879 C ARG A 120 -15.698 3.330 8.485 1.00 5.65 C ATOM 1880 O ARG A 120 -16.301 4.402 8.656 1.00 6.45 O ATOM 1881 CB ARG A 120 -13.604 4.129 7.267 1.00 4.64 C ATOM 1882 CG ARG A 120 -13.923 3.621 5.845 1.00 6.15 C ATOM 1883 CD ARG A 120 -15.202 4.162 5.174 1.00 7.99 C ATOM 1884 NE ARG A 120 -16.413 3.520 5.692 1.00 9.14 N ATOM 1885 CZ ARG A 120 -17.580 4.078 5.924 1.00 10.20 C ATOM 1886 NH1 ARG A 120 -17.974 5.162 5.322 1.00 10.74 N ATOM 1887 NH2 ARG A 120 -18.357 3.542 6.811 1.00 11.06 N ATOM 1888 OXT ARG A 120 -16.273 2.280 8.106 1.00 6.70 O ATOM 0 H ARG A 120 -14.339 1.287 8.331 1.00 3.14 H new ATOM 0 HA ARG A 120 -13.838 3.918 9.341 1.00 4.02 H new ATOM 0 HB2 ARG A 120 -13.954 5.159 7.337 1.00 4.64 H new ATOM 0 HB3 ARG A 120 -12.520 4.153 7.375 1.00 4.64 H new ATOM 0 HG2 ARG A 120 -13.076 3.862 5.202 1.00 6.15 H new ATOM 0 HG3 ARG A 120 -13.995 2.534 5.883 1.00 6.15 H new ATOM 0 HD2 ARG A 120 -15.267 5.238 5.334 1.00 7.99 H new ATOM 0 HD3 ARG A 120 -15.141 4.003 4.097 1.00 7.99 H new ATOM 0 HE ARG A 120 -16.342 2.523 5.896 1.00 9.14 H new ATOM 0 HH11 ARG A 120 -17.368 5.614 4.638 1.00 10.74 H new ATOM 0 HH12 ARG A 120 -18.889 5.559 5.534 1.00 10.74 H new ATOM 0 HH21 ARG A 120 -18.058 2.705 7.312 1.00 11.06 H new ATOM 0 HH22 ARG A 120 -19.268 3.957 7.009 1.00 11.06 H new