USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -0.0184 K(o=-0.25,f=-6!) USER MOD Set 1.2: A 48 THR OG1 : rot 77:sc= 0.0772 USER MOD Set 1.3: A 61 MET CE :methyl -165:sc= -0.284 (180deg=-1.29) USER MOD Set 1.4: A 83 HIS : no HD1:sc= -0.02 K(o=-0.25,f=-1.5) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.00585 K(o=-0.0023,f=-5.8!) USER MOD Set 2.2: A 85 MET CE :methyl 170:sc=-0.00815 (180deg=-0.0637) USER MOD Single : A 11 SER OG : rot -169:sc= 1.39 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 164:sc= 1.1 USER MOD Single : A 24 ASN : amide:sc= 0.445 K(o=0.44,f=-5.9!) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.259 USER MOD Single : A 50 MET CE :methyl -174:sc= 0 (180deg=-0.0464) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 1.85 (180deg=1.19) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0.574 (180deg=0.383) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 0.575! (180deg=0.103!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0.366 (180deg=-0.347) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 1.54 (180deg=1.12) USER MOD Single : A 109 LYS NZ :NH3+ -107:sc= 1.03 (180deg=-0.363) USER MOD Single : A 112 LYS NZ :NH3+ -108:sc= 0.258 (180deg=-0.747!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.178 1.853 6.216 1.00 1.23 N ATOM 56 CA GLU A 5 8.218 2.436 7.160 1.00 1.77 C ATOM 57 C GLU A 5 6.772 2.142 6.733 1.00 1.63 C ATOM 58 O GLU A 5 5.985 3.055 6.491 1.00 2.00 O ATOM 59 CB GLU A 5 8.473 3.951 7.321 1.00 3.11 C ATOM 60 CG GLU A 5 9.805 4.307 8.001 1.00 3.32 C ATOM 61 CD GLU A 5 11.025 3.745 7.277 1.00 3.49 C ATOM 62 OE1 GLU A 5 11.238 4.106 6.099 1.00 4.61 O ATOM 63 OE2 GLU A 5 11.672 2.841 7.840 1.00 3.77 O ATOM 0 HA GLU A 5 8.363 1.969 8.134 1.00 1.77 H new ATOM 0 HB2 GLU A 5 8.447 4.417 6.336 1.00 3.11 H new ATOM 0 HB3 GLU A 5 7.657 4.384 7.900 1.00 3.11 H new ATOM 0 HG2 GLU A 5 9.895 5.392 8.061 1.00 3.32 H new ATOM 0 HG3 GLU A 5 9.794 3.931 9.024 1.00 3.32 H new ATOM 70 N GLY A 6 6.411 0.864 6.615 1.00 1.42 N ATOM 71 CA GLY A 6 5.027 0.454 6.407 1.00 1.36 C ATOM 72 C GLY A 6 4.776 -0.931 6.966 1.00 1.13 C ATOM 73 O GLY A 6 5.721 -1.683 7.185 1.00 1.21 O ATOM 0 H GLY A 6 7.070 0.087 6.661 1.00 1.42 H new ATOM 0 HA2 GLY A 6 4.357 1.169 6.885 1.00 1.36 H new ATOM 0 HA3 GLY A 6 4.798 0.466 5.341 1.00 1.36 H new ATOM 77 N TRP A 7 3.507 -1.292 7.151 1.00 1.09 N ATOM 78 CA TRP A 7 3.124 -2.614 7.650 1.00 0.92 C ATOM 79 C TRP A 7 1.883 -3.176 6.947 1.00 0.85 C ATOM 80 O TRP A 7 1.309 -2.534 6.076 1.00 0.73 O ATOM 81 CB TRP A 7 2.954 -2.561 9.174 1.00 0.95 C ATOM 82 CG TRP A 7 1.872 -1.683 9.723 1.00 1.03 C ATOM 83 CD1 TRP A 7 0.621 -2.073 10.062 1.00 1.13 C ATOM 84 CD2 TRP A 7 1.983 -0.287 10.137 1.00 1.40 C ATOM 85 NE1 TRP A 7 -0.017 -1.039 10.719 1.00 1.43 N ATOM 86 CE2 TRP A 7 0.778 0.088 10.797 1.00 1.62 C ATOM 87 CE3 TRP A 7 3.005 0.686 10.061 1.00 1.77 C ATOM 88 CZ2 TRP A 7 0.604 1.357 11.375 1.00 2.12 C ATOM 89 CZ3 TRP A 7 2.828 1.973 10.602 1.00 2.28 C ATOM 90 CH2 TRP A 7 1.632 2.308 11.264 1.00 2.43 C ATOM 0 H TRP A 7 2.715 -0.678 6.960 1.00 1.09 H new ATOM 0 HA TRP A 7 3.928 -3.311 7.413 1.00 0.92 H new ATOM 0 HB2 TRP A 7 2.774 -3.576 9.527 1.00 0.95 H new ATOM 0 HB3 TRP A 7 3.901 -2.237 9.606 1.00 0.95 H new ATOM 0 HD1 TRP A 7 0.190 -3.041 9.852 1.00 1.13 H new ATOM 0 HE1 TRP A 7 -0.961 -1.100 11.100 1.00 1.43 H new ATOM 0 HE3 TRP A 7 3.939 0.437 9.579 1.00 1.77 H new ATOM 0 HZ2 TRP A 7 -0.309 1.598 11.898 1.00 2.12 H new ATOM 0 HZ3 TRP A 7 3.614 2.708 10.509 1.00 2.28 H new ATOM 0 HH2 TRP A 7 1.505 3.294 11.686 1.00 2.43 H new ATOM 101 N VAL A 8 1.465 -4.392 7.288 1.00 1.06 N ATOM 102 CA VAL A 8 0.302 -5.082 6.688 1.00 1.02 C ATOM 103 C VAL A 8 -0.844 -5.228 7.701 1.00 1.12 C ATOM 104 O VAL A 8 -0.621 -5.459 8.887 1.00 1.45 O ATOM 105 CB VAL A 8 0.714 -6.446 6.085 1.00 1.06 C ATOM 106 CG1 VAL A 8 -0.453 -7.255 5.485 1.00 1.18 C ATOM 107 CG2 VAL A 8 1.788 -6.272 4.999 1.00 1.08 C ATOM 0 H VAL A 8 1.930 -4.948 8.006 1.00 1.06 H new ATOM 0 HA VAL A 8 -0.069 -4.464 5.870 1.00 1.02 H new ATOM 0 HB VAL A 8 1.104 -7.010 6.932 1.00 1.06 H new ATOM 0 HG11 VAL A 8 -0.076 -8.196 5.085 1.00 1.18 H new ATOM 0 HG12 VAL A 8 -1.190 -7.460 6.261 1.00 1.18 H new ATOM 0 HG13 VAL A 8 -0.919 -6.681 4.684 1.00 1.18 H new ATOM 0 HG21 VAL A 8 2.057 -7.247 4.594 1.00 1.08 H new ATOM 0 HG22 VAL A 8 1.398 -5.642 4.199 1.00 1.08 H new ATOM 0 HG23 VAL A 8 2.671 -5.803 5.433 1.00 1.08 H new ATOM 117 N ARG A 9 -2.074 -5.102 7.179 1.00 1.07 N ATOM 118 CA ARG A 9 -3.380 -5.052 7.864 1.00 1.37 C ATOM 119 C ARG A 9 -3.744 -6.269 8.738 1.00 1.40 C ATOM 120 O ARG A 9 -4.603 -6.101 9.599 1.00 2.92 O ATOM 121 CB ARG A 9 -4.417 -4.821 6.727 1.00 1.72 C ATOM 122 CG ARG A 9 -5.943 -4.720 6.978 1.00 2.39 C ATOM 123 CD ARG A 9 -6.616 -6.094 7.120 1.00 3.57 C ATOM 124 NE ARG A 9 -8.042 -6.171 6.729 1.00 4.95 N ATOM 125 CZ ARG A 9 -8.536 -6.342 5.504 1.00 6.28 C ATOM 126 NH1 ARG A 9 -7.977 -5.848 4.420 1.00 6.58 N ATOM 127 NH2 ARG A 9 -9.631 -7.048 5.326 1.00 7.87 N ATOM 0 H ARG A 9 -2.193 -5.025 6.169 1.00 1.07 H new ATOM 0 HA ARG A 9 -3.359 -4.254 8.607 1.00 1.37 H new ATOM 0 HB2 ARG A 9 -4.125 -3.898 6.226 1.00 1.72 H new ATOM 0 HB3 ARG A 9 -4.275 -5.631 6.011 1.00 1.72 H new ATOM 0 HG2 ARG A 9 -6.120 -4.139 7.883 1.00 2.39 H new ATOM 0 HG3 ARG A 9 -6.407 -4.177 6.155 1.00 2.39 H new ATOM 0 HD2 ARG A 9 -6.058 -6.812 6.519 1.00 3.57 H new ATOM 0 HD3 ARG A 9 -6.529 -6.412 8.159 1.00 3.57 H new ATOM 0 HE ARG A 9 -8.723 -6.083 7.483 1.00 4.95 H new ATOM 0 HH11 ARG A 9 -7.119 -5.301 4.493 1.00 6.58 H new ATOM 0 HH12 ARG A 9 -8.402 -6.012 3.507 1.00 6.58 H new ATOM 0 HH21 ARG A 9 -10.104 -7.466 6.127 1.00 7.87 H new ATOM 0 HH22 ARG A 9 -10.007 -7.177 4.387 1.00 7.87 H new ATOM 141 N PHE A 10 -3.211 -7.462 8.429 1.00 0.84 N ATOM 142 CA PHE A 10 -3.567 -8.796 8.957 1.00 0.85 C ATOM 143 C PHE A 10 -4.979 -9.265 8.551 1.00 0.79 C ATOM 144 O PHE A 10 -5.970 -8.556 8.687 1.00 0.99 O ATOM 145 CB PHE A 10 -3.332 -8.896 10.478 1.00 1.23 C ATOM 146 CG PHE A 10 -3.877 -10.142 11.159 1.00 1.32 C ATOM 147 CD1 PHE A 10 -3.557 -11.428 10.679 1.00 2.21 C ATOM 148 CD2 PHE A 10 -4.721 -10.011 12.279 1.00 1.94 C ATOM 149 CE1 PHE A 10 -4.110 -12.567 11.291 1.00 2.22 C ATOM 150 CE2 PHE A 10 -5.250 -11.152 12.907 1.00 2.17 C ATOM 151 CZ PHE A 10 -4.951 -12.430 12.408 1.00 1.65 C ATOM 0 H PHE A 10 -2.456 -7.527 7.746 1.00 0.84 H new ATOM 0 HA PHE A 10 -2.882 -9.495 8.477 1.00 0.85 H new ATOM 0 HB2 PHE A 10 -2.259 -8.845 10.663 1.00 1.23 H new ATOM 0 HB3 PHE A 10 -3.779 -8.022 10.952 1.00 1.23 H new ATOM 0 HD1 PHE A 10 -2.886 -11.539 9.840 1.00 2.21 H new ATOM 0 HD2 PHE A 10 -4.963 -9.029 12.657 1.00 1.94 H new ATOM 0 HE1 PHE A 10 -3.888 -13.549 10.901 1.00 2.22 H new ATOM 0 HE2 PHE A 10 -5.886 -11.046 13.773 1.00 2.17 H new ATOM 0 HZ PHE A 10 -5.367 -13.307 12.882 1.00 1.65 H new ATOM 161 N SER A 11 -5.078 -10.488 8.027 1.00 0.77 N ATOM 162 CA SER A 11 -6.312 -11.134 7.559 1.00 0.84 C ATOM 163 C SER A 11 -6.046 -12.597 7.150 1.00 0.84 C ATOM 164 O SER A 11 -4.959 -12.867 6.622 1.00 0.96 O ATOM 165 CB SER A 11 -6.861 -10.379 6.342 1.00 1.03 C ATOM 166 OG SER A 11 -8.098 -10.912 5.920 1.00 2.05 O ATOM 0 H SER A 11 -4.261 -11.087 7.910 1.00 0.77 H new ATOM 0 HA SER A 11 -7.034 -11.116 8.376 1.00 0.84 H new ATOM 0 HB2 SER A 11 -6.983 -9.325 6.591 1.00 1.03 H new ATOM 0 HB3 SER A 11 -6.142 -10.432 5.524 1.00 1.03 H new ATOM 0 HG SER A 11 -8.335 -10.537 5.046 1.00 2.05 H new ATOM 172 N PRO A 12 -7.010 -13.523 7.344 1.00 0.94 N ATOM 173 CA PRO A 12 -6.951 -14.867 6.767 1.00 1.04 C ATOM 174 C PRO A 12 -7.336 -14.892 5.280 1.00 0.86 C ATOM 175 O PRO A 12 -7.001 -15.828 4.559 1.00 0.99 O ATOM 176 CB PRO A 12 -7.968 -15.662 7.582 1.00 1.28 C ATOM 177 CG PRO A 12 -9.050 -14.636 7.915 1.00 1.26 C ATOM 178 CD PRO A 12 -8.237 -13.356 8.117 1.00 1.12 C ATOM 0 HA PRO A 12 -5.939 -15.270 6.809 1.00 1.04 H new ATOM 0 HB2 PRO A 12 -8.372 -16.498 7.012 1.00 1.28 H new ATOM 0 HB3 PRO A 12 -7.520 -16.078 8.484 1.00 1.28 H new ATOM 0 HG2 PRO A 12 -9.775 -14.534 7.108 1.00 1.26 H new ATOM 0 HG3 PRO A 12 -9.607 -14.909 8.811 1.00 1.26 H new ATOM 0 HD2 PRO A 12 -8.795 -12.483 7.777 1.00 1.12 H new ATOM 0 HD3 PRO A 12 -8.013 -13.200 9.172 1.00 1.12 H new ATOM 186 N GLY A 13 -8.046 -13.856 4.832 1.00 0.76 N ATOM 187 CA GLY A 13 -8.645 -13.741 3.504 1.00 0.77 C ATOM 188 C GLY A 13 -10.128 -13.354 3.583 1.00 0.81 C ATOM 189 O GLY A 13 -10.613 -13.028 4.667 1.00 0.94 O ATOM 0 H GLY A 13 -8.227 -13.037 5.413 1.00 0.76 H new ATOM 0 HA2 GLY A 13 -8.104 -12.993 2.924 1.00 0.77 H new ATOM 0 HA3 GLY A 13 -8.544 -14.689 2.976 1.00 0.77 H new ATOM 193 N PRO A 14 -10.857 -13.316 2.451 1.00 0.85 N ATOM 194 CA PRO A 14 -10.340 -13.444 1.089 1.00 0.87 C ATOM 195 C PRO A 14 -9.491 -12.234 0.666 1.00 0.83 C ATOM 196 O PRO A 14 -8.808 -12.314 -0.355 1.00 0.86 O ATOM 197 CB PRO A 14 -11.587 -13.586 0.208 1.00 1.05 C ATOM 198 CG PRO A 14 -12.640 -12.773 0.960 1.00 1.12 C ATOM 199 CD PRO A 14 -12.289 -13.041 2.424 1.00 1.00 C ATOM 0 HA PRO A 14 -9.669 -14.298 1.000 1.00 0.87 H new ATOM 0 HB2 PRO A 14 -11.418 -13.195 -0.795 1.00 1.05 H new ATOM 0 HB3 PRO A 14 -11.886 -14.628 0.098 1.00 1.05 H new ATOM 0 HG2 PRO A 14 -12.582 -11.712 0.717 1.00 1.12 H new ATOM 0 HG3 PRO A 14 -13.652 -13.100 0.720 1.00 1.12 H new ATOM 0 HD2 PRO A 14 -12.533 -12.181 3.047 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -12.856 -13.887 2.812 1.00 1.00 H new ATOM 207 N ASN A 15 -9.490 -11.138 1.447 1.00 0.80 N ATOM 208 CA ASN A 15 -8.627 -9.989 1.208 1.00 0.70 C ATOM 209 C ASN A 15 -7.879 -9.476 2.444 1.00 0.58 C ATOM 210 O ASN A 15 -8.286 -9.638 3.598 1.00 0.76 O ATOM 211 CB ASN A 15 -9.386 -8.863 0.480 1.00 0.86 C ATOM 212 CG ASN A 15 -10.263 -7.942 1.331 1.00 1.43 C ATOM 213 OD1 ASN A 15 -9.863 -7.394 2.357 1.00 2.49 O ATOM 214 ND2 ASN A 15 -11.470 -7.673 0.873 1.00 1.66 N ATOM 0 H ASN A 15 -10.094 -11.034 2.262 1.00 0.80 H new ATOM 0 HA ASN A 15 -7.838 -10.354 0.550 1.00 0.70 H new ATOM 0 HB2 ASN A 15 -8.654 -8.245 -0.041 1.00 0.86 H new ATOM 0 HB3 ASN A 15 -10.017 -9.320 -0.282 1.00 0.86 H new ATOM 0 HD21 ASN A 15 -12.068 -7.013 1.369 1.00 1.66 H new ATOM 0 HD22 ASN A 15 -11.805 -8.125 0.023 1.00 1.66 H new ATOM 221 N ALA A 16 -6.795 -8.782 2.134 1.00 0.42 N ATOM 222 CA ALA A 16 -5.937 -8.003 3.014 1.00 0.37 C ATOM 223 C ALA A 16 -5.677 -6.616 2.395 1.00 0.33 C ATOM 224 O ALA A 16 -6.276 -6.255 1.383 1.00 0.35 O ATOM 225 CB ALA A 16 -4.656 -8.801 3.316 1.00 0.41 C ATOM 0 H ALA A 16 -6.463 -8.747 1.170 1.00 0.42 H new ATOM 0 HA ALA A 16 -6.424 -7.821 3.972 1.00 0.37 H new ATOM 0 HB1 ALA A 16 -4.012 -8.219 3.975 1.00 0.41 H new ATOM 0 HB2 ALA A 16 -4.919 -9.741 3.802 1.00 0.41 H new ATOM 0 HB3 ALA A 16 -4.129 -9.009 2.385 1.00 0.41 H new ATOM 231 N ALA A 17 -4.847 -5.810 3.047 1.00 0.40 N ATOM 232 CA ALA A 17 -4.407 -4.488 2.608 1.00 0.40 C ATOM 233 C ALA A 17 -2.984 -4.268 3.148 1.00 0.44 C ATOM 234 O ALA A 17 -2.653 -4.836 4.194 1.00 0.66 O ATOM 235 CB ALA A 17 -5.382 -3.418 3.126 1.00 0.49 C ATOM 0 H ALA A 17 -4.440 -6.074 3.944 1.00 0.40 H new ATOM 0 HA ALA A 17 -4.396 -4.415 1.520 1.00 0.40 H new ATOM 0 HB1 ALA A 17 -5.050 -2.433 2.796 1.00 0.49 H new ATOM 0 HB2 ALA A 17 -6.380 -3.615 2.734 1.00 0.49 H new ATOM 0 HB3 ALA A 17 -5.408 -3.446 4.215 1.00 0.49 H new ATOM 241 N ALA A 18 -2.156 -3.459 2.492 1.00 0.40 N ATOM 242 CA ALA A 18 -0.765 -3.228 2.888 1.00 0.43 C ATOM 243 C ALA A 18 -0.398 -1.744 2.793 1.00 0.44 C ATOM 244 O ALA A 18 -0.797 -1.048 1.856 1.00 0.50 O ATOM 245 CB ALA A 18 0.157 -4.102 2.027 1.00 0.49 C ATOM 0 H ALA A 18 -2.433 -2.938 1.660 1.00 0.40 H new ATOM 0 HA ALA A 18 -0.637 -3.511 3.933 1.00 0.43 H new ATOM 0 HB1 ALA A 18 1.194 -3.934 2.318 1.00 0.49 H new ATOM 0 HB2 ALA A 18 -0.095 -5.152 2.174 1.00 0.49 H new ATOM 0 HB3 ALA A 18 0.028 -3.842 0.976 1.00 0.49 H new ATOM 251 N TYR A 19 0.367 -1.282 3.777 1.00 0.49 N ATOM 252 CA TYR A 19 0.602 0.135 4.081 1.00 0.53 C ATOM 253 C TYR A 19 2.065 0.559 3.852 1.00 0.77 C ATOM 254 O TYR A 19 2.617 1.348 4.614 1.00 1.71 O ATOM 255 CB TYR A 19 0.140 0.417 5.528 1.00 0.60 C ATOM 256 CG TYR A 19 -1.268 -0.035 5.860 1.00 0.77 C ATOM 257 CD1 TYR A 19 -2.357 0.457 5.119 1.00 1.79 C ATOM 258 CD2 TYR A 19 -1.493 -0.947 6.910 1.00 2.24 C ATOM 259 CE1 TYR A 19 -3.666 0.006 5.387 1.00 1.83 C ATOM 260 CE2 TYR A 19 -2.797 -1.384 7.205 1.00 2.55 C ATOM 261 CZ TYR A 19 -3.887 -0.922 6.428 1.00 1.47 C ATOM 262 OH TYR A 19 -5.146 -1.363 6.701 1.00 1.87 O ATOM 0 H TYR A 19 0.863 -1.906 4.413 1.00 0.49 H new ATOM 0 HA TYR A 19 0.017 0.740 3.388 1.00 0.53 H new ATOM 0 HB2 TYR A 19 0.832 -0.072 6.214 1.00 0.60 H new ATOM 0 HB3 TYR A 19 0.212 1.489 5.712 1.00 0.60 H new ATOM 0 HD1 TYR A 19 -2.190 1.185 4.339 1.00 1.79 H new ATOM 0 HD2 TYR A 19 -0.660 -1.313 7.492 1.00 2.24 H new ATOM 0 HE1 TYR A 19 -4.496 0.369 4.799 1.00 1.83 H new ATOM 0 HE2 TYR A 19 -2.966 -2.070 8.022 1.00 2.55 H new ATOM 0 HH TYR A 19 -5.116 -1.998 7.447 1.00 1.87 H new ATOM 272 N LEU A 20 2.719 -0.033 2.842 1.00 1.05 N ATOM 273 CA LEU A 20 4.119 0.204 2.437 1.00 1.13 C ATOM 274 C LEU A 20 4.461 1.709 2.306 1.00 1.07 C ATOM 275 O LEU A 20 3.629 2.479 1.828 1.00 1.12 O ATOM 276 CB LEU A 20 4.320 -0.590 1.121 1.00 1.35 C ATOM 277 CG LEU A 20 5.595 -0.276 0.303 1.00 1.59 C ATOM 278 CD1 LEU A 20 6.118 -1.544 -0.377 1.00 2.57 C ATOM 279 CD2 LEU A 20 5.321 0.759 -0.802 1.00 2.50 C ATOM 0 H LEU A 20 2.264 -0.729 2.251 1.00 1.05 H new ATOM 0 HA LEU A 20 4.813 -0.143 3.203 1.00 1.13 H new ATOM 0 HB2 LEU A 20 4.325 -1.653 1.363 1.00 1.35 H new ATOM 0 HB3 LEU A 20 3.455 -0.413 0.482 1.00 1.35 H new ATOM 0 HG LEU A 20 6.327 0.122 1.006 1.00 1.59 H new ATOM 0 HD11 LEU A 20 7.015 -1.307 -0.949 1.00 2.57 H new ATOM 0 HD12 LEU A 20 6.357 -2.291 0.380 1.00 2.57 H new ATOM 0 HD13 LEU A 20 5.355 -1.939 -1.047 1.00 2.57 H new ATOM 0 HD21 LEU A 20 6.240 0.953 -1.355 1.00 2.50 H new ATOM 0 HD22 LEU A 20 4.563 0.372 -1.483 1.00 2.50 H new ATOM 0 HD23 LEU A 20 4.965 1.686 -0.352 1.00 2.50 H new ATOM 291 N THR A 21 5.686 2.135 2.670 1.00 1.12 N ATOM 292 CA THR A 21 6.156 3.508 2.382 1.00 1.31 C ATOM 293 C THR A 21 6.706 3.678 0.968 1.00 1.67 C ATOM 294 O THR A 21 7.291 2.757 0.398 1.00 1.99 O ATOM 295 CB THR A 21 7.109 4.114 3.427 1.00 1.50 C ATOM 296 OG1 THR A 21 7.280 5.466 3.071 1.00 3.04 O ATOM 297 CG2 THR A 21 8.498 3.496 3.445 1.00 2.00 C ATOM 0 H THR A 21 6.366 1.554 3.161 1.00 1.12 H new ATOM 0 HA THR A 21 5.239 4.093 2.455 1.00 1.31 H new ATOM 0 HB THR A 21 6.666 3.944 4.408 1.00 1.50 H new ATOM 0 HG1 THR A 21 7.653 5.960 3.831 1.00 3.04 H new ATOM 0 HG21 THR A 21 9.103 3.982 4.210 1.00 2.00 H new ATOM 0 HG22 THR A 21 8.420 2.432 3.667 1.00 2.00 H new ATOM 0 HG23 THR A 21 8.969 3.630 2.471 1.00 2.00 H new ATOM 305 N LEU A 22 6.557 4.894 0.433 1.00 1.74 N ATOM 306 CA LEU A 22 7.193 5.317 -0.815 1.00 2.09 C ATOM 307 C LEU A 22 8.165 6.468 -0.551 1.00 1.80 C ATOM 308 O LEU A 22 7.754 7.571 -0.189 1.00 1.85 O ATOM 309 CB LEU A 22 6.120 5.707 -1.848 1.00 2.57 C ATOM 310 CG LEU A 22 6.495 5.481 -3.324 1.00 3.12 C ATOM 311 CD1 LEU A 22 7.793 6.172 -3.771 1.00 3.59 C ATOM 312 CD2 LEU A 22 6.592 3.978 -3.621 1.00 3.31 C ATOM 0 H LEU A 22 5.983 5.620 0.862 1.00 1.74 H new ATOM 0 HA LEU A 22 7.768 4.487 -1.226 1.00 2.09 H new ATOM 0 HB2 LEU A 22 5.213 5.142 -1.633 1.00 2.57 H new ATOM 0 HB3 LEU A 22 5.878 6.761 -1.712 1.00 2.57 H new ATOM 0 HG LEU A 22 5.692 5.944 -3.898 1.00 3.12 H new ATOM 0 HD11 LEU A 22 7.976 5.957 -4.824 1.00 3.59 H new ATOM 0 HD12 LEU A 22 7.698 7.249 -3.632 1.00 3.59 H new ATOM 0 HD13 LEU A 22 8.627 5.801 -3.175 1.00 3.59 H new ATOM 0 HD21 LEU A 22 6.858 3.830 -4.668 1.00 3.31 H new ATOM 0 HD22 LEU A 22 7.356 3.530 -2.986 1.00 3.31 H new ATOM 0 HD23 LEU A 22 5.631 3.505 -3.420 1.00 3.31 H new ATOM 324 N GLU A 23 9.443 6.218 -0.805 1.00 1.59 N ATOM 325 CA GLU A 23 10.515 7.213 -0.804 1.00 1.38 C ATOM 326 C GLU A 23 11.196 7.233 -2.175 1.00 1.17 C ATOM 327 O GLU A 23 11.361 6.200 -2.824 1.00 1.32 O ATOM 328 CB GLU A 23 11.508 6.933 0.340 1.00 1.65 C ATOM 329 CG GLU A 23 12.667 7.949 0.407 1.00 2.72 C ATOM 330 CD GLU A 23 13.168 8.123 1.841 1.00 3.31 C ATOM 331 OE1 GLU A 23 13.786 7.182 2.381 1.00 3.39 O ATOM 332 OE2 GLU A 23 12.822 9.149 2.461 1.00 4.52 O ATOM 0 H GLU A 23 9.777 5.280 -1.026 1.00 1.59 H new ATOM 0 HA GLU A 23 10.099 8.204 -0.625 1.00 1.38 H new ATOM 0 HB2 GLU A 23 10.971 6.943 1.288 1.00 1.65 H new ATOM 0 HB3 GLU A 23 11.919 5.931 0.217 1.00 1.65 H new ATOM 0 HG2 GLU A 23 13.486 7.613 -0.229 1.00 2.72 H new ATOM 0 HG3 GLU A 23 12.334 8.911 0.016 1.00 2.72 H new ATOM 339 N ASN A 24 11.575 8.430 -2.616 1.00 1.02 N ATOM 340 CA ASN A 24 12.324 8.659 -3.839 1.00 0.87 C ATOM 341 C ASN A 24 13.784 9.028 -3.499 1.00 0.84 C ATOM 342 O ASN A 24 14.058 10.177 -3.148 1.00 0.87 O ATOM 343 CB ASN A 24 11.623 9.774 -4.627 1.00 0.84 C ATOM 344 CG ASN A 24 12.203 9.913 -6.026 1.00 0.78 C ATOM 345 OD1 ASN A 24 13.265 9.390 -6.341 1.00 1.34 O ATOM 346 ND2 ASN A 24 11.513 10.603 -6.906 1.00 0.96 N ATOM 0 H ASN A 24 11.360 9.291 -2.113 1.00 1.02 H new ATOM 0 HA ASN A 24 12.354 7.758 -4.451 1.00 0.87 H new ATOM 0 HB2 ASN A 24 10.556 9.560 -4.693 1.00 0.84 H new ATOM 0 HB3 ASN A 24 11.726 10.719 -4.093 1.00 0.84 H new ATOM 0 HD21 ASN A 24 11.861 10.706 -7.859 1.00 0.96 H new ATOM 0 HD22 ASN A 24 10.630 11.035 -6.636 1.00 0.96 H new ATOM 353 N PRO A 25 14.740 8.089 -3.613 1.00 0.92 N ATOM 354 CA PRO A 25 16.161 8.370 -3.403 1.00 1.00 C ATOM 355 C PRO A 25 16.839 9.049 -4.606 1.00 0.96 C ATOM 356 O PRO A 25 17.974 9.514 -4.478 1.00 1.05 O ATOM 357 CB PRO A 25 16.780 6.996 -3.128 1.00 1.20 C ATOM 358 CG PRO A 25 15.912 6.057 -3.970 1.00 1.19 C ATOM 359 CD PRO A 25 14.522 6.665 -3.831 1.00 1.07 C ATOM 0 HA PRO A 25 16.299 9.079 -2.587 1.00 1.00 H new ATOM 0 HB2 PRO A 25 17.827 6.957 -3.429 1.00 1.20 H new ATOM 0 HB3 PRO A 25 16.743 6.740 -2.069 1.00 1.20 H new ATOM 0 HG2 PRO A 25 16.239 6.028 -5.010 1.00 1.19 H new ATOM 0 HG3 PRO A 25 15.945 5.033 -3.597 1.00 1.19 H new ATOM 0 HD2 PRO A 25 13.927 6.492 -4.727 1.00 1.07 H new ATOM 0 HD3 PRO A 25 13.980 6.219 -2.997 1.00 1.07 H new ATOM 367 N GLY A 26 16.177 9.115 -5.769 1.00 0.88 N ATOM 368 CA GLY A 26 16.726 9.668 -7.000 1.00 0.88 C ATOM 369 C GLY A 26 16.561 11.178 -7.095 1.00 0.77 C ATOM 370 O GLY A 26 16.083 11.848 -6.184 1.00 1.11 O ATOM 0 H GLY A 26 15.221 8.775 -5.875 1.00 0.88 H new ATOM 0 HA2 GLY A 26 17.785 9.418 -7.064 1.00 0.88 H new ATOM 0 HA3 GLY A 26 16.236 9.199 -7.853 1.00 0.88 H new ATOM 374 N ASP A 27 17.009 11.698 -8.231 1.00 0.81 N ATOM 375 CA ASP A 27 17.125 13.111 -8.573 1.00 1.22 C ATOM 376 C ASP A 27 16.081 13.532 -9.626 1.00 1.20 C ATOM 377 O ASP A 27 15.963 14.698 -9.995 1.00 1.47 O ATOM 378 CB ASP A 27 18.559 13.261 -9.081 1.00 1.65 C ATOM 379 CG ASP A 27 19.552 13.027 -7.937 1.00 2.11 C ATOM 380 OD1 ASP A 27 19.834 13.983 -7.182 1.00 2.80 O ATOM 381 OD2 ASP A 27 19.900 11.853 -7.676 1.00 2.91 O ATOM 0 H ASP A 27 17.324 11.099 -8.994 1.00 0.81 H new ATOM 0 HA ASP A 27 16.927 13.762 -7.722 1.00 1.22 H new ATOM 0 HB2 ASP A 27 18.744 12.549 -9.885 1.00 1.65 H new ATOM 0 HB3 ASP A 27 18.702 14.257 -9.499 1.00 1.65 H new ATOM 386 N LEU A 28 15.289 12.553 -10.066 1.00 0.92 N ATOM 387 CA LEU A 28 14.135 12.648 -10.953 1.00 0.87 C ATOM 388 C LEU A 28 12.879 12.109 -10.232 1.00 0.77 C ATOM 389 O LEU A 28 13.024 11.395 -9.237 1.00 0.77 O ATOM 390 CB LEU A 28 14.494 11.935 -12.272 1.00 0.95 C ATOM 391 CG LEU A 28 14.800 10.420 -12.198 1.00 1.88 C ATOM 392 CD1 LEU A 28 13.545 9.537 -12.135 1.00 2.73 C ATOM 393 CD2 LEU A 28 15.607 10.008 -13.438 1.00 2.68 C ATOM 0 H LEU A 28 15.457 11.587 -9.783 1.00 0.92 H new ATOM 0 HA LEU A 28 13.887 13.678 -11.211 1.00 0.87 H new ATOM 0 HB2 LEU A 28 13.668 12.079 -12.969 1.00 0.95 H new ATOM 0 HB3 LEU A 28 15.363 12.434 -12.700 1.00 0.95 H new ATOM 0 HG LEU A 28 15.356 10.266 -11.273 1.00 1.88 H new ATOM 0 HD11 LEU A 28 13.840 8.489 -12.085 1.00 2.73 H new ATOM 0 HD12 LEU A 28 12.964 9.793 -11.249 1.00 2.73 H new ATOM 0 HD13 LEU A 28 12.939 9.701 -13.026 1.00 2.73 H new ATOM 0 HD21 LEU A 28 15.826 8.941 -13.392 1.00 2.68 H new ATOM 0 HD22 LEU A 28 15.028 10.221 -14.336 1.00 2.68 H new ATOM 0 HD23 LEU A 28 16.541 10.569 -13.467 1.00 2.68 H new ATOM 405 N PRO A 29 11.652 12.439 -10.680 1.00 0.79 N ATOM 406 CA PRO A 29 10.428 12.044 -9.989 1.00 0.77 C ATOM 407 C PRO A 29 10.066 10.581 -10.277 1.00 0.73 C ATOM 408 O PRO A 29 10.292 10.072 -11.376 1.00 0.83 O ATOM 409 CB PRO A 29 9.352 13.016 -10.479 1.00 0.85 C ATOM 410 CG PRO A 29 9.807 13.353 -11.898 1.00 0.91 C ATOM 411 CD PRO A 29 11.336 13.268 -11.832 1.00 0.88 C ATOM 0 HA PRO A 29 10.539 12.097 -8.906 1.00 0.77 H new ATOM 0 HB2 PRO A 29 8.363 12.559 -10.471 1.00 0.85 H new ATOM 0 HB3 PRO A 29 9.297 13.906 -9.852 1.00 0.85 H new ATOM 0 HG2 PRO A 29 9.400 12.650 -12.624 1.00 0.91 H new ATOM 0 HG3 PRO A 29 9.476 14.348 -12.197 1.00 0.91 H new ATOM 0 HD2 PRO A 29 11.741 12.833 -12.746 1.00 0.88 H new ATOM 0 HD3 PRO A 29 11.776 14.260 -11.729 1.00 0.88 H new ATOM 419 N LEU A 30 9.472 9.916 -9.280 1.00 0.69 N ATOM 420 CA LEU A 30 8.939 8.556 -9.384 1.00 0.67 C ATOM 421 C LEU A 30 7.412 8.582 -9.388 1.00 0.63 C ATOM 422 O LEU A 30 6.762 9.381 -8.713 1.00 0.68 O ATOM 423 CB LEU A 30 9.415 7.674 -8.212 1.00 0.70 C ATOM 424 CG LEU A 30 10.747 6.904 -8.366 1.00 0.76 C ATOM 425 CD1 LEU A 30 11.862 7.653 -9.108 1.00 2.34 C ATOM 426 CD2 LEU A 30 11.222 6.428 -6.991 1.00 1.89 C ATOM 0 H LEU A 30 9.346 10.322 -8.353 1.00 0.69 H new ATOM 0 HA LEU A 30 9.308 8.134 -10.319 1.00 0.67 H new ATOM 0 HB2 LEU A 30 9.499 8.310 -7.331 1.00 0.70 H new ATOM 0 HB3 LEU A 30 8.632 6.945 -8.006 1.00 0.70 H new ATOM 0 HG LEU A 30 10.526 6.055 -9.013 1.00 0.76 H new ATOM 0 HD11 LEU A 30 12.751 7.024 -9.160 1.00 2.34 H new ATOM 0 HD12 LEU A 30 11.529 7.895 -10.117 1.00 2.34 H new ATOM 0 HD13 LEU A 30 12.100 8.573 -8.574 1.00 2.34 H new ATOM 0 HD21 LEU A 30 12.161 5.885 -7.098 1.00 1.89 H new ATOM 0 HD22 LEU A 30 11.373 7.289 -6.340 1.00 1.89 H new ATOM 0 HD23 LEU A 30 10.471 5.770 -6.554 1.00 1.89 H new ATOM 438 N ARG A 31 6.890 7.576 -10.079 1.00 0.61 N ATOM 439 CA ARG A 31 5.464 7.299 -10.250 1.00 0.58 C ATOM 440 C ARG A 31 5.191 5.816 -10.069 1.00 0.58 C ATOM 441 O ARG A 31 5.558 5.012 -10.927 1.00 0.62 O ATOM 442 CB ARG A 31 5.013 7.746 -11.648 1.00 0.62 C ATOM 443 CG ARG A 31 3.503 7.543 -11.879 1.00 0.82 C ATOM 444 CD ARG A 31 2.799 8.700 -12.600 1.00 0.64 C ATOM 445 NE ARG A 31 3.403 9.047 -13.903 1.00 1.79 N ATOM 446 CZ ARG A 31 4.066 10.165 -14.185 1.00 1.62 C ATOM 447 NH1 ARG A 31 4.442 11.023 -13.267 1.00 2.12 N ATOM 448 NH2 ARG A 31 4.374 10.438 -15.433 1.00 2.90 N ATOM 0 H ARG A 31 7.477 6.895 -10.561 1.00 0.61 H new ATOM 0 HA ARG A 31 4.904 7.853 -9.497 1.00 0.58 H new ATOM 0 HB2 ARG A 31 5.259 8.799 -11.785 1.00 0.62 H new ATOM 0 HB3 ARG A 31 5.570 7.188 -12.401 1.00 0.62 H new ATOM 0 HG2 ARG A 31 3.358 6.631 -12.458 1.00 0.82 H new ATOM 0 HG3 ARG A 31 3.020 7.388 -10.914 1.00 0.82 H new ATOM 0 HD2 ARG A 31 1.753 8.437 -12.754 1.00 0.64 H new ATOM 0 HD3 ARG A 31 2.815 9.580 -11.957 1.00 0.64 H new ATOM 0 HE ARG A 31 3.302 8.366 -14.656 1.00 1.79 H new ATOM 0 HH11 ARG A 31 4.228 10.846 -12.286 1.00 2.12 H new ATOM 0 HH12 ARG A 31 4.949 11.867 -13.535 1.00 2.12 H new ATOM 0 HH21 ARG A 31 4.105 9.795 -16.177 1.00 2.90 H new ATOM 0 HH22 ARG A 31 4.882 11.293 -15.657 1.00 2.90 H new ATOM 462 N LEU A 32 4.560 5.453 -8.958 1.00 0.59 N ATOM 463 CA LEU A 32 4.152 4.083 -8.661 1.00 0.64 C ATOM 464 C LEU A 32 2.789 3.829 -9.276 1.00 0.69 C ATOM 465 O LEU A 32 1.852 4.533 -8.936 1.00 0.82 O ATOM 466 CB LEU A 32 4.129 3.887 -7.138 1.00 0.73 C ATOM 467 CG LEU A 32 3.733 2.432 -6.779 1.00 1.15 C ATOM 468 CD1 LEU A 32 4.579 1.874 -5.630 1.00 1.66 C ATOM 469 CD2 LEU A 32 2.235 2.325 -6.433 1.00 2.20 C ATOM 0 H LEU A 32 4.312 6.116 -8.223 1.00 0.59 H new ATOM 0 HA LEU A 32 4.857 3.368 -9.086 1.00 0.64 H new ATOM 0 HB2 LEU A 32 5.110 4.115 -6.722 1.00 0.73 H new ATOM 0 HB3 LEU A 32 3.422 4.583 -6.687 1.00 0.73 H new ATOM 0 HG LEU A 32 3.929 1.829 -7.666 1.00 1.15 H new ATOM 0 HD11 LEU A 32 4.268 0.852 -5.412 1.00 1.66 H new ATOM 0 HD12 LEU A 32 5.631 1.879 -5.917 1.00 1.66 H new ATOM 0 HD13 LEU A 32 4.441 2.493 -4.743 1.00 1.66 H new ATOM 0 HD21 LEU A 32 1.991 1.292 -6.186 1.00 2.20 H new ATOM 0 HD22 LEU A 32 2.012 2.964 -5.579 1.00 2.20 H new ATOM 0 HD23 LEU A 32 1.640 2.643 -7.289 1.00 2.20 H new ATOM 481 N VAL A 33 2.656 2.808 -10.114 1.00 0.60 N ATOM 482 CA VAL A 33 1.388 2.465 -10.786 1.00 0.57 C ATOM 483 C VAL A 33 0.784 1.162 -10.224 1.00 0.51 C ATOM 484 O VAL A 33 -0.418 0.940 -10.340 1.00 0.55 O ATOM 485 CB VAL A 33 1.588 2.344 -12.318 1.00 0.63 C ATOM 486 CG1 VAL A 33 2.082 3.671 -12.929 1.00 0.73 C ATOM 487 CG2 VAL A 33 2.585 1.239 -12.728 1.00 0.61 C ATOM 0 H VAL A 33 3.426 2.184 -10.355 1.00 0.60 H new ATOM 0 HA VAL A 33 0.687 3.276 -10.588 1.00 0.57 H new ATOM 0 HB VAL A 33 0.602 2.082 -12.703 1.00 0.63 H new ATOM 0 HG11 VAL A 33 2.212 3.550 -14.005 1.00 0.73 H new ATOM 0 HG12 VAL A 33 1.349 4.455 -12.738 1.00 0.73 H new ATOM 0 HG13 VAL A 33 3.035 3.947 -12.477 1.00 0.73 H new ATOM 0 HG21 VAL A 33 2.674 1.214 -13.814 1.00 0.61 H new ATOM 0 HG22 VAL A 33 3.561 1.448 -12.289 1.00 0.61 H new ATOM 0 HG23 VAL A 33 2.226 0.274 -12.371 1.00 0.61 H new ATOM 497 N GLY A 34 1.612 0.285 -9.629 1.00 0.46 N ATOM 498 CA GLY A 34 1.195 -0.993 -9.045 1.00 0.46 C ATOM 499 C GLY A 34 2.177 -1.570 -8.033 1.00 0.44 C ATOM 500 O GLY A 34 3.185 -0.956 -7.681 1.00 0.41 O ATOM 0 H GLY A 34 2.614 0.454 -9.541 1.00 0.46 H new ATOM 0 HA2 GLY A 34 0.228 -0.859 -8.560 1.00 0.46 H new ATOM 0 HA3 GLY A 34 1.052 -1.716 -9.848 1.00 0.46 H new ATOM 504 N ALA A 35 1.878 -2.793 -7.606 1.00 0.49 N ATOM 505 CA ALA A 35 2.791 -3.672 -6.887 1.00 0.53 C ATOM 506 C ALA A 35 2.741 -5.106 -7.447 1.00 0.55 C ATOM 507 O ALA A 35 1.959 -5.408 -8.350 1.00 0.55 O ATOM 508 CB ALA A 35 2.425 -3.624 -5.396 1.00 0.57 C ATOM 0 H ALA A 35 0.961 -3.213 -7.757 1.00 0.49 H new ATOM 0 HA ALA A 35 3.819 -3.332 -7.017 1.00 0.53 H new ATOM 0 HB1 ALA A 35 3.096 -4.275 -4.836 1.00 0.57 H new ATOM 0 HB2 ALA A 35 2.522 -2.602 -5.030 1.00 0.57 H new ATOM 0 HB3 ALA A 35 1.397 -3.961 -5.263 1.00 0.57 H new ATOM 514 N ARG A 36 3.528 -5.991 -6.842 1.00 0.59 N ATOM 515 CA ARG A 36 3.342 -7.448 -6.803 1.00 0.49 C ATOM 516 C ARG A 36 3.691 -7.916 -5.374 1.00 0.41 C ATOM 517 O ARG A 36 4.341 -7.195 -4.623 1.00 0.53 O ATOM 518 CB ARG A 36 4.155 -8.118 -7.943 1.00 0.63 C ATOM 519 CG ARG A 36 4.416 -9.620 -7.748 1.00 1.92 C ATOM 520 CD ARG A 36 5.265 -10.231 -8.870 1.00 2.37 C ATOM 521 NE ARG A 36 5.487 -11.679 -8.661 1.00 3.41 N ATOM 522 CZ ARG A 36 6.364 -12.249 -7.836 1.00 4.58 C ATOM 523 NH1 ARG A 36 7.196 -11.567 -7.082 1.00 5.19 N ATOM 524 NH2 ARG A 36 6.409 -13.562 -7.754 1.00 5.69 N ATOM 0 H ARG A 36 4.363 -5.699 -6.335 1.00 0.59 H new ATOM 0 HA ARG A 36 2.313 -7.750 -6.997 1.00 0.49 H new ATOM 0 HB2 ARG A 36 3.623 -7.975 -8.883 1.00 0.63 H new ATOM 0 HB3 ARG A 36 5.113 -7.606 -8.037 1.00 0.63 H new ATOM 0 HG2 ARG A 36 4.919 -9.775 -6.794 1.00 1.92 H new ATOM 0 HG3 ARG A 36 3.462 -10.145 -7.694 1.00 1.92 H new ATOM 0 HD2 ARG A 36 4.770 -10.073 -9.828 1.00 2.37 H new ATOM 0 HD3 ARG A 36 6.226 -9.719 -8.920 1.00 2.37 H new ATOM 0 HE ARG A 36 4.904 -12.311 -9.210 1.00 3.41 H new ATOM 0 HH11 ARG A 36 7.191 -10.547 -7.110 1.00 5.19 H new ATOM 0 HH12 ARG A 36 7.847 -12.057 -6.468 1.00 5.19 H new ATOM 0 HH21 ARG A 36 5.777 -14.130 -8.318 1.00 5.69 H new ATOM 0 HH22 ARG A 36 7.076 -14.011 -7.126 1.00 5.69 H new ATOM 538 N THR A 37 3.237 -9.102 -4.959 1.00 0.41 N ATOM 539 CA THR A 37 3.450 -9.683 -3.622 1.00 0.51 C ATOM 540 C THR A 37 3.200 -11.189 -3.709 1.00 0.58 C ATOM 541 O THR A 37 2.396 -11.596 -4.546 1.00 0.55 O ATOM 542 CB THR A 37 2.560 -8.988 -2.578 1.00 0.60 C ATOM 543 OG1 THR A 37 2.653 -9.651 -1.344 1.00 0.80 O ATOM 544 CG2 THR A 37 1.074 -8.958 -2.939 1.00 0.61 C ATOM 0 H THR A 37 2.689 -9.711 -5.566 1.00 0.41 H new ATOM 0 HA THR A 37 4.476 -9.523 -3.292 1.00 0.51 H new ATOM 0 HB THR A 37 2.930 -7.963 -2.537 1.00 0.60 H new ATOM 0 HG1 THR A 37 3.446 -9.336 -0.862 1.00 0.80 H new ATOM 0 HG21 THR A 37 0.518 -8.451 -2.150 1.00 0.61 H new ATOM 0 HG22 THR A 37 0.939 -8.424 -3.880 1.00 0.61 H new ATOM 0 HG23 THR A 37 0.705 -9.978 -3.045 1.00 0.61 H new ATOM 552 N PRO A 38 3.865 -12.043 -2.906 1.00 0.73 N ATOM 553 CA PRO A 38 3.690 -13.493 -2.997 1.00 0.80 C ATOM 554 C PRO A 38 2.409 -14.014 -2.341 1.00 0.77 C ATOM 555 O PRO A 38 2.154 -15.212 -2.379 1.00 0.94 O ATOM 556 CB PRO A 38 4.939 -14.068 -2.341 1.00 0.95 C ATOM 557 CG PRO A 38 5.376 -13.014 -1.330 1.00 1.00 C ATOM 558 CD PRO A 38 4.938 -11.707 -1.979 1.00 0.88 C ATOM 0 HA PRO A 38 3.574 -13.801 -4.036 1.00 0.80 H new ATOM 0 HB2 PRO A 38 4.726 -15.019 -1.852 1.00 0.95 H new ATOM 0 HB3 PRO A 38 5.720 -14.256 -3.077 1.00 0.95 H new ATOM 0 HG2 PRO A 38 4.899 -13.163 -0.361 1.00 1.00 H new ATOM 0 HG3 PRO A 38 6.453 -13.039 -1.162 1.00 1.00 H new ATOM 0 HD2 PRO A 38 4.593 -10.997 -1.227 1.00 0.88 H new ATOM 0 HD3 PRO A 38 5.770 -11.236 -2.503 1.00 0.88 H new ATOM 566 N VAL A 39 1.625 -13.127 -1.728 1.00 0.77 N ATOM 567 CA VAL A 39 0.462 -13.457 -0.882 1.00 0.82 C ATOM 568 C VAL A 39 -0.853 -12.782 -1.312 1.00 0.79 C ATOM 569 O VAL A 39 -1.720 -12.517 -0.486 1.00 0.95 O ATOM 570 CB VAL A 39 0.794 -13.144 0.594 1.00 0.87 C ATOM 571 CG1 VAL A 39 1.933 -14.031 1.118 1.00 0.96 C ATOM 572 CG2 VAL A 39 1.178 -11.667 0.747 1.00 0.79 C ATOM 0 H VAL A 39 1.782 -12.122 -1.805 1.00 0.77 H new ATOM 0 HA VAL A 39 0.278 -14.524 -1.009 1.00 0.82 H new ATOM 0 HB VAL A 39 -0.098 -13.354 1.184 1.00 0.87 H new ATOM 0 HG11 VAL A 39 2.138 -13.782 2.159 1.00 0.96 H new ATOM 0 HG12 VAL A 39 1.641 -15.079 1.046 1.00 0.96 H new ATOM 0 HG13 VAL A 39 2.829 -13.863 0.521 1.00 0.96 H new ATOM 0 HG21 VAL A 39 1.410 -11.458 1.791 1.00 0.79 H new ATOM 0 HG22 VAL A 39 2.051 -11.452 0.131 1.00 0.79 H new ATOM 0 HG23 VAL A 39 0.346 -11.040 0.427 1.00 0.79 H new ATOM 582 N ALA A 40 -1.015 -12.547 -2.615 1.00 0.67 N ATOM 583 CA ALA A 40 -2.287 -12.199 -3.279 1.00 0.62 C ATOM 584 C ALA A 40 -2.290 -12.707 -4.738 1.00 0.70 C ATOM 585 O ALA A 40 -1.226 -12.954 -5.300 1.00 0.91 O ATOM 586 CB ALA A 40 -2.452 -10.674 -3.223 1.00 0.67 C ATOM 0 H ALA A 40 -0.235 -12.594 -3.270 1.00 0.67 H new ATOM 0 HA ALA A 40 -3.124 -12.676 -2.769 1.00 0.62 H new ATOM 0 HB1 ALA A 40 -3.386 -10.391 -3.708 1.00 0.67 H new ATOM 0 HB2 ALA A 40 -2.470 -10.348 -2.183 1.00 0.67 H new ATOM 0 HB3 ALA A 40 -1.617 -10.199 -3.738 1.00 0.67 H new ATOM 592 N GLU A 41 -3.470 -12.857 -5.344 1.00 0.73 N ATOM 593 CA GLU A 41 -3.673 -13.112 -6.775 1.00 0.83 C ATOM 594 C GLU A 41 -3.636 -11.787 -7.559 1.00 0.76 C ATOM 595 O GLU A 41 -2.796 -11.585 -8.434 1.00 0.97 O ATOM 596 CB GLU A 41 -5.031 -13.824 -6.947 1.00 0.92 C ATOM 597 CG GLU A 41 -5.217 -14.476 -8.321 1.00 1.08 C ATOM 598 CD GLU A 41 -4.469 -15.803 -8.381 1.00 1.60 C ATOM 599 OE1 GLU A 41 -4.975 -16.796 -7.812 1.00 2.77 O ATOM 600 OE2 GLU A 41 -3.293 -15.824 -8.799 1.00 2.46 O ATOM 0 H GLU A 41 -4.349 -12.802 -4.830 1.00 0.73 H new ATOM 0 HA GLU A 41 -2.878 -13.746 -7.168 1.00 0.83 H new ATOM 0 HB2 GLU A 41 -5.130 -14.588 -6.176 1.00 0.92 H new ATOM 0 HB3 GLU A 41 -5.832 -13.103 -6.786 1.00 0.92 H new ATOM 0 HG2 GLU A 41 -6.277 -14.639 -8.513 1.00 1.08 H new ATOM 0 HG3 GLU A 41 -4.851 -13.808 -9.101 1.00 1.08 H new ATOM 607 N ARG A 42 -4.514 -10.838 -7.199 1.00 0.73 N ATOM 608 CA ARG A 42 -4.466 -9.446 -7.610 1.00 0.66 C ATOM 609 C ARG A 42 -4.012 -8.628 -6.399 1.00 0.62 C ATOM 610 O ARG A 42 -4.623 -8.702 -5.335 1.00 0.96 O ATOM 611 CB ARG A 42 -5.861 -9.008 -8.109 1.00 0.84 C ATOM 612 CG ARG A 42 -5.880 -7.497 -8.373 1.00 2.72 C ATOM 613 CD ARG A 42 -7.215 -6.867 -8.787 1.00 3.23 C ATOM 614 NE ARG A 42 -7.703 -7.287 -10.118 1.00 3.45 N ATOM 615 CZ ARG A 42 -8.716 -6.697 -10.757 1.00 4.49 C ATOM 616 NH1 ARG A 42 -9.352 -5.661 -10.246 1.00 5.45 N ATOM 617 NH2 ARG A 42 -9.116 -7.140 -11.932 1.00 5.13 N ATOM 0 H ARG A 42 -5.306 -11.039 -6.588 1.00 0.73 H new ATOM 0 HA ARG A 42 -3.767 -9.292 -8.432 1.00 0.66 H new ATOM 0 HB2 ARG A 42 -6.114 -9.547 -9.022 1.00 0.84 H new ATOM 0 HB3 ARG A 42 -6.617 -9.264 -7.367 1.00 0.84 H new ATOM 0 HG2 ARG A 42 -5.536 -6.993 -7.469 1.00 2.72 H new ATOM 0 HG3 ARG A 42 -5.151 -7.283 -9.154 1.00 2.72 H new ATOM 0 HD2 ARG A 42 -7.969 -7.120 -8.041 1.00 3.23 H new ATOM 0 HD3 ARG A 42 -7.109 -5.782 -8.778 1.00 3.23 H new ATOM 0 HE ARG A 42 -7.239 -8.073 -10.574 1.00 3.45 H new ATOM 0 HH11 ARG A 42 -9.074 -5.289 -9.338 1.00 5.45 H new ATOM 0 HH12 ARG A 42 -10.122 -5.232 -10.759 1.00 5.45 H new ATOM 0 HH21 ARG A 42 -8.651 -7.940 -12.361 1.00 5.13 H new ATOM 0 HH22 ARG A 42 -9.891 -6.683 -12.413 1.00 5.13 H new ATOM 631 N VAL A 43 -3.019 -7.767 -6.594 1.00 0.85 N ATOM 632 CA VAL A 43 -2.847 -6.552 -5.784 1.00 0.73 C ATOM 633 C VAL A 43 -3.425 -5.349 -6.550 1.00 0.78 C ATOM 634 O VAL A 43 -3.367 -5.321 -7.779 1.00 1.01 O ATOM 635 CB VAL A 43 -1.376 -6.366 -5.362 1.00 0.73 C ATOM 636 CG1 VAL A 43 -0.446 -5.998 -6.524 1.00 0.83 C ATOM 637 CG2 VAL A 43 -1.222 -5.346 -4.228 1.00 0.80 C ATOM 0 H VAL A 43 -2.308 -7.886 -7.316 1.00 0.85 H new ATOM 0 HA VAL A 43 -3.403 -6.644 -4.851 1.00 0.73 H new ATOM 0 HB VAL A 43 -1.067 -7.346 -4.998 1.00 0.73 H new ATOM 0 HG11 VAL A 43 0.572 -5.883 -6.153 1.00 0.83 H new ATOM 0 HG12 VAL A 43 -0.472 -6.788 -7.275 1.00 0.83 H new ATOM 0 HG13 VAL A 43 -0.777 -5.061 -6.972 1.00 0.83 H new ATOM 0 HG21 VAL A 43 -0.168 -5.250 -3.966 1.00 0.80 H new ATOM 0 HG22 VAL A 43 -1.605 -4.379 -4.554 1.00 0.80 H new ATOM 0 HG23 VAL A 43 -1.783 -5.683 -3.357 1.00 0.80 H new ATOM 647 N GLU A 44 -4.016 -4.393 -5.832 1.00 0.70 N ATOM 648 CA GLU A 44 -4.734 -3.237 -6.367 1.00 0.68 C ATOM 649 C GLU A 44 -4.379 -1.995 -5.547 1.00 0.58 C ATOM 650 O GLU A 44 -4.031 -2.124 -4.374 1.00 0.71 O ATOM 651 CB GLU A 44 -6.239 -3.529 -6.283 1.00 0.85 C ATOM 652 CG GLU A 44 -7.085 -2.664 -7.217 1.00 1.28 C ATOM 653 CD GLU A 44 -8.497 -3.238 -7.259 1.00 1.68 C ATOM 654 OE1 GLU A 44 -8.696 -4.216 -8.011 1.00 2.75 O ATOM 655 OE2 GLU A 44 -9.354 -2.734 -6.507 1.00 2.56 O ATOM 0 H GLU A 44 -4.006 -4.405 -4.812 1.00 0.70 H new ATOM 0 HA GLU A 44 -4.455 -3.054 -7.405 1.00 0.68 H new ATOM 0 HB2 GLU A 44 -6.410 -4.579 -6.520 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.573 -3.375 -5.257 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -7.105 -1.633 -6.864 1.00 1.28 H new ATOM 0 HG3 GLU A 44 -6.652 -2.650 -8.217 1.00 1.28 H new ATOM 662 N LEU A 45 -4.442 -0.799 -6.134 1.00 0.54 N ATOM 663 CA LEU A 45 -3.997 0.439 -5.494 1.00 0.56 C ATOM 664 C LEU A 45 -5.196 1.324 -5.118 1.00 0.50 C ATOM 665 O LEU A 45 -5.953 1.765 -5.987 1.00 0.53 O ATOM 666 CB LEU A 45 -3.030 1.110 -6.479 1.00 0.79 C ATOM 667 CG LEU A 45 -2.391 2.411 -5.972 1.00 0.66 C ATOM 668 CD1 LEU A 45 -1.489 2.220 -4.747 1.00 0.80 C ATOM 669 CD2 LEU A 45 -1.541 2.982 -7.109 1.00 0.99 C ATOM 0 H LEU A 45 -4.807 -0.662 -7.076 1.00 0.54 H new ATOM 0 HA LEU A 45 -3.484 0.251 -4.551 1.00 0.56 H new ATOM 0 HB2 LEU A 45 -2.237 0.404 -6.725 1.00 0.79 H new ATOM 0 HB3 LEU A 45 -3.566 1.322 -7.404 1.00 0.79 H new ATOM 0 HG LEU A 45 -3.199 3.076 -5.667 1.00 0.66 H new ATOM 0 HD11 LEU A 45 -1.074 3.182 -4.447 1.00 0.80 H new ATOM 0 HD12 LEU A 45 -2.074 1.805 -3.926 1.00 0.80 H new ATOM 0 HD13 LEU A 45 -0.677 1.536 -4.996 1.00 0.80 H new ATOM 0 HD21 LEU A 45 -1.071 3.909 -6.782 1.00 0.99 H new ATOM 0 HD22 LEU A 45 -0.770 2.262 -7.384 1.00 0.99 H new ATOM 0 HD23 LEU A 45 -2.175 3.182 -7.973 1.00 0.99 H new ATOM 681 N HIS A 46 -5.374 1.581 -3.820 1.00 0.49 N ATOM 682 CA HIS A 46 -6.488 2.344 -3.246 1.00 0.47 C ATOM 683 C HIS A 46 -6.032 3.574 -2.441 1.00 0.49 C ATOM 684 O HIS A 46 -4.978 3.594 -1.802 1.00 0.52 O ATOM 685 CB HIS A 46 -7.310 1.437 -2.298 1.00 0.47 C ATOM 686 CG HIS A 46 -8.102 0.296 -2.879 1.00 0.45 C ATOM 687 ND1 HIS A 46 -8.841 -0.623 -2.135 1.00 0.46 N ATOM 688 CD2 HIS A 46 -8.209 -0.058 -4.191 1.00 0.47 C ATOM 689 CE1 HIS A 46 -9.336 -1.516 -2.997 1.00 0.49 C ATOM 690 NE2 HIS A 46 -8.997 -1.184 -4.252 1.00 0.49 N ATOM 0 H HIS A 46 -4.720 1.250 -3.110 1.00 0.49 H new ATOM 0 HA HIS A 46 -7.083 2.692 -4.090 1.00 0.47 H new ATOM 0 HB2 HIS A 46 -6.621 1.018 -1.565 1.00 0.47 H new ATOM 0 HB3 HIS A 46 -8.005 2.076 -1.754 1.00 0.47 H new ATOM 0 HD2 HIS A 46 -7.758 0.452 -5.029 1.00 0.47 H new ATOM 0 HE1 HIS A 46 -9.924 -2.380 -2.723 1.00 0.49 H new ATOM 0 HE2 HIS A 46 -9.274 -1.678 -5.100 1.00 0.49 H new ATOM 698 N GLU A 47 -6.919 4.563 -2.395 1.00 0.51 N ATOM 699 CA GLU A 47 -6.940 5.622 -1.383 1.00 0.53 C ATOM 700 C GLU A 47 -7.932 5.298 -0.247 1.00 0.56 C ATOM 701 O GLU A 47 -8.784 4.420 -0.406 1.00 0.64 O ATOM 702 CB GLU A 47 -7.250 6.971 -2.042 1.00 0.50 C ATOM 703 CG GLU A 47 -8.718 7.132 -2.440 1.00 0.49 C ATOM 704 CD GLU A 47 -9.075 8.558 -2.829 1.00 0.95 C ATOM 705 OE1 GLU A 47 -8.396 9.141 -3.697 1.00 2.19 O ATOM 706 OE2 GLU A 47 -10.149 9.023 -2.388 1.00 1.61 O ATOM 0 H GLU A 47 -7.668 4.655 -3.081 1.00 0.51 H new ATOM 0 HA GLU A 47 -5.952 5.685 -0.926 1.00 0.53 H new ATOM 0 HB2 GLU A 47 -6.978 7.773 -1.356 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -6.627 7.085 -2.929 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -8.937 6.468 -3.276 1.00 0.49 H new ATOM 0 HG3 GLU A 47 -9.350 6.819 -1.609 1.00 0.49 H new ATOM 713 N THR A 48 -7.877 6.047 0.863 1.00 0.59 N ATOM 714 CA THR A 48 -8.841 6.029 1.974 1.00 0.59 C ATOM 715 C THR A 48 -9.247 7.478 2.240 1.00 0.56 C ATOM 716 O THR A 48 -8.384 8.352 2.239 1.00 0.62 O ATOM 717 CB THR A 48 -8.194 5.412 3.218 1.00 0.69 C ATOM 718 OG1 THR A 48 -7.912 4.054 2.985 1.00 0.80 O ATOM 719 CG2 THR A 48 -9.086 5.436 4.459 1.00 0.75 C ATOM 0 H THR A 48 -7.122 6.715 1.019 1.00 0.59 H new ATOM 0 HA THR A 48 -9.716 5.428 1.725 1.00 0.59 H new ATOM 0 HB THR A 48 -7.305 6.016 3.401 1.00 0.69 H new ATOM 0 HG1 THR A 48 -7.112 3.978 2.424 1.00 0.80 H new ATOM 0 HG21 THR A 48 -8.557 4.982 5.296 1.00 0.75 H new ATOM 0 HG22 THR A 48 -9.338 6.467 4.706 1.00 0.75 H new ATOM 0 HG23 THR A 48 -10.000 4.876 4.261 1.00 0.75 H new ATOM 727 N PHE A 49 -10.530 7.734 2.498 1.00 0.59 N ATOM 728 CA PHE A 49 -11.075 9.088 2.634 1.00 0.62 C ATOM 729 C PHE A 49 -12.120 9.222 3.751 1.00 0.63 C ATOM 730 O PHE A 49 -12.602 8.245 4.324 1.00 0.67 O ATOM 731 CB PHE A 49 -11.655 9.553 1.284 1.00 0.73 C ATOM 732 CG PHE A 49 -12.924 8.838 0.849 1.00 0.75 C ATOM 733 CD1 PHE A 49 -12.868 7.637 0.115 1.00 2.02 C ATOM 734 CD2 PHE A 49 -14.176 9.381 1.198 1.00 1.76 C ATOM 735 CE1 PHE A 49 -14.058 6.966 -0.229 1.00 2.05 C ATOM 736 CE2 PHE A 49 -15.362 8.714 0.858 1.00 1.92 C ATOM 737 CZ PHE A 49 -15.303 7.498 0.155 1.00 1.13 C ATOM 0 H PHE A 49 -11.228 7.001 2.620 1.00 0.59 H new ATOM 0 HA PHE A 49 -10.247 9.734 2.926 1.00 0.62 H new ATOM 0 HB2 PHE A 49 -11.860 10.622 1.343 1.00 0.73 H new ATOM 0 HB3 PHE A 49 -10.896 9.416 0.513 1.00 0.73 H new ATOM 0 HD1 PHE A 49 -11.913 7.231 -0.184 1.00 2.02 H new ATOM 0 HD2 PHE A 49 -14.223 10.319 1.732 1.00 1.76 H new ATOM 0 HE1 PHE A 49 -14.015 6.043 -0.788 1.00 2.05 H new ATOM 0 HE2 PHE A 49 -16.318 9.133 1.135 1.00 1.92 H new ATOM 0 HZ PHE A 49 -16.214 6.972 -0.091 1.00 1.13 H new ATOM 747 N MET A 50 -12.496 10.473 4.017 1.00 0.69 N ATOM 748 CA MET A 50 -13.569 10.889 4.933 1.00 0.73 C ATOM 749 C MET A 50 -14.708 11.583 4.181 1.00 0.67 C ATOM 750 O MET A 50 -14.462 12.365 3.267 1.00 0.62 O ATOM 751 CB MET A 50 -13.004 11.865 5.980 1.00 0.82 C ATOM 752 CG MET A 50 -12.812 11.178 7.330 1.00 2.13 C ATOM 753 SD MET A 50 -14.371 10.746 8.157 1.00 3.62 S ATOM 754 CE MET A 50 -13.719 10.287 9.779 1.00 5.45 C ATOM 0 H MET A 50 -12.037 11.271 3.577 1.00 0.69 H new ATOM 0 HA MET A 50 -13.961 9.994 5.415 1.00 0.73 H new ATOM 0 HB2 MET A 50 -12.050 12.263 5.633 1.00 0.82 H new ATOM 0 HB3 MET A 50 -13.680 12.712 6.093 1.00 0.82 H new ATOM 0 HG2 MET A 50 -12.224 10.272 7.186 1.00 2.13 H new ATOM 0 HG3 MET A 50 -12.234 11.833 7.982 1.00 2.13 H new ATOM 0 HE1 MET A 50 -14.525 9.889 10.396 1.00 5.45 H new ATOM 0 HE2 MET A 50 -12.945 9.529 9.659 1.00 5.45 H new ATOM 0 HE3 MET A 50 -13.293 11.166 10.262 1.00 5.45 H new ATOM 764 N ARG A 51 -15.949 11.336 4.605 1.00 0.75 N ATOM 765 CA ARG A 51 -17.136 12.080 4.161 1.00 0.71 C ATOM 766 C ARG A 51 -18.077 12.394 5.330 1.00 0.84 C ATOM 767 O ARG A 51 -18.310 11.545 6.193 1.00 0.90 O ATOM 768 CB ARG A 51 -17.881 11.354 3.022 1.00 0.78 C ATOM 769 CG ARG A 51 -18.292 9.895 3.310 1.00 2.24 C ATOM 770 CD ARG A 51 -19.508 9.456 2.487 1.00 2.65 C ATOM 771 NE ARG A 51 -19.235 9.404 1.037 1.00 3.14 N ATOM 772 CZ ARG A 51 -19.145 8.316 0.281 1.00 4.45 C ATOM 773 NH1 ARG A 51 -19.222 7.099 0.786 1.00 5.50 N ATOM 774 NH2 ARG A 51 -18.971 8.447 -1.018 1.00 5.41 N ATOM 0 H ARG A 51 -16.164 10.601 5.279 1.00 0.75 H new ATOM 0 HA ARG A 51 -16.781 13.029 3.760 1.00 0.71 H new ATOM 0 HB2 ARG A 51 -18.779 11.923 2.780 1.00 0.78 H new ATOM 0 HB3 ARG A 51 -17.248 11.365 2.135 1.00 0.78 H new ATOM 0 HG2 ARG A 51 -17.452 9.235 3.093 1.00 2.24 H new ATOM 0 HG3 ARG A 51 -18.517 9.787 4.371 1.00 2.24 H new ATOM 0 HD2 ARG A 51 -19.833 8.472 2.825 1.00 2.65 H new ATOM 0 HD3 ARG A 51 -20.332 10.145 2.671 1.00 2.65 H new ATOM 0 HE ARG A 51 -19.101 10.299 0.566 1.00 3.14 H new ATOM 0 HH11 ARG A 51 -19.355 6.971 1.789 1.00 5.50 H new ATOM 0 HH12 ARG A 51 -19.148 6.287 0.173 1.00 5.50 H new ATOM 0 HH21 ARG A 51 -18.907 9.377 -1.433 1.00 5.41 H new ATOM 0 HH22 ARG A 51 -18.900 7.619 -1.609 1.00 5.41 H new ATOM 788 N GLU A 52 -18.641 13.596 5.350 1.00 1.11 N ATOM 789 CA GLU A 52 -19.816 13.943 6.110 1.00 1.25 C ATOM 790 C GLU A 52 -21.042 13.705 5.214 1.00 1.31 C ATOM 791 O GLU A 52 -20.988 14.022 4.028 1.00 1.54 O ATOM 792 CB GLU A 52 -19.667 15.423 6.453 1.00 1.72 C ATOM 793 CG GLU A 52 -20.560 15.852 7.603 1.00 1.92 C ATOM 794 CD GLU A 52 -19.896 15.661 8.967 1.00 2.24 C ATOM 795 OE1 GLU A 52 -18.811 16.224 9.210 1.00 2.92 O ATOM 796 OE2 GLU A 52 -20.442 14.926 9.821 1.00 2.73 O ATOM 0 H GLU A 52 -18.271 14.380 4.813 1.00 1.11 H new ATOM 0 HA GLU A 52 -19.934 13.354 7.019 1.00 1.25 H new ATOM 0 HB2 GLU A 52 -18.628 15.629 6.709 1.00 1.72 H new ATOM 0 HB3 GLU A 52 -19.903 16.021 5.573 1.00 1.72 H new ATOM 0 HG2 GLU A 52 -20.829 16.901 7.478 1.00 1.92 H new ATOM 0 HG3 GLU A 52 -21.487 15.280 7.571 1.00 1.92 H new ATOM 803 N VAL A 53 -22.121 13.153 5.763 1.00 1.30 N ATOM 804 CA VAL A 53 -23.454 13.075 5.138 1.00 1.58 C ATOM 805 C VAL A 53 -24.463 13.309 6.264 1.00 1.67 C ATOM 806 O VAL A 53 -24.317 12.700 7.321 1.00 2.02 O ATOM 807 CB VAL A 53 -23.714 11.704 4.461 1.00 1.67 C ATOM 808 CG1 VAL A 53 -24.926 11.771 3.520 1.00 2.44 C ATOM 809 CG2 VAL A 53 -22.524 11.175 3.640 1.00 2.32 C ATOM 0 H VAL A 53 -22.098 12.729 6.691 1.00 1.30 H new ATOM 0 HA VAL A 53 -23.538 13.818 4.345 1.00 1.58 H new ATOM 0 HB VAL A 53 -23.891 11.021 5.291 1.00 1.67 H new ATOM 0 HG11 VAL A 53 -25.084 10.796 3.060 1.00 2.44 H new ATOM 0 HG12 VAL A 53 -25.813 12.052 4.088 1.00 2.44 H new ATOM 0 HG13 VAL A 53 -24.743 12.513 2.743 1.00 2.44 H new ATOM 0 HG21 VAL A 53 -22.785 10.213 3.199 1.00 2.32 H new ATOM 0 HG22 VAL A 53 -22.285 11.884 2.848 1.00 2.32 H new ATOM 0 HG23 VAL A 53 -21.658 11.053 4.291 1.00 2.32 H new ATOM 819 N GLU A 54 -25.414 14.233 6.105 1.00 1.82 N ATOM 820 CA GLU A 54 -26.408 14.614 7.129 1.00 2.01 C ATOM 821 C GLU A 54 -25.798 15.135 8.447 1.00 1.93 C ATOM 822 O GLU A 54 -26.391 14.998 9.522 1.00 2.04 O ATOM 823 CB GLU A 54 -27.396 13.457 7.383 1.00 2.05 C ATOM 824 CG GLU A 54 -28.021 12.866 6.109 1.00 2.30 C ATOM 825 CD GLU A 54 -28.351 13.952 5.084 1.00 4.27 C ATOM 826 OE1 GLU A 54 -29.421 14.572 5.248 1.00 5.26 O ATOM 827 OE2 GLU A 54 -27.476 14.215 4.224 1.00 5.67 O ATOM 0 H GLU A 54 -25.522 14.756 5.236 1.00 1.82 H new ATOM 0 HA GLU A 54 -26.951 15.464 6.716 1.00 2.01 H new ATOM 0 HB2 GLU A 54 -26.877 12.663 7.921 1.00 2.05 H new ATOM 0 HB3 GLU A 54 -28.195 13.813 8.034 1.00 2.05 H new ATOM 0 HG2 GLU A 54 -27.333 12.145 5.667 1.00 2.30 H new ATOM 0 HG3 GLU A 54 -28.929 12.322 6.368 1.00 2.30 H new ATOM 834 N GLY A 55 -24.569 15.664 8.412 1.00 1.88 N ATOM 835 CA GLY A 55 -23.814 16.013 9.627 1.00 1.98 C ATOM 836 C GLY A 55 -23.408 14.779 10.438 1.00 1.70 C ATOM 837 O GLY A 55 -23.367 14.829 11.669 1.00 1.95 O ATOM 0 H GLY A 55 -24.069 15.863 7.545 1.00 1.88 H new ATOM 0 HA2 GLY A 55 -22.920 16.571 9.348 1.00 1.98 H new ATOM 0 HA3 GLY A 55 -24.419 16.671 10.251 1.00 1.98 H new ATOM 841 N LYS A 56 -23.213 13.641 9.762 1.00 1.37 N ATOM 842 CA LYS A 56 -22.632 12.403 10.274 1.00 1.26 C ATOM 843 C LYS A 56 -21.394 12.060 9.427 1.00 1.08 C ATOM 844 O LYS A 56 -21.474 11.892 8.208 1.00 0.96 O ATOM 845 CB LYS A 56 -23.669 11.253 10.233 1.00 1.25 C ATOM 846 CG LYS A 56 -25.069 11.599 10.770 1.00 1.44 C ATOM 847 CD LYS A 56 -25.084 11.944 12.270 1.00 2.37 C ATOM 848 CE LYS A 56 -26.290 12.813 12.652 1.00 3.27 C ATOM 849 NZ LYS A 56 -26.172 14.182 12.089 1.00 4.74 N ATOM 0 H LYS A 56 -23.475 13.559 8.780 1.00 1.37 H new ATOM 0 HA LYS A 56 -22.337 12.535 11.315 1.00 1.26 H new ATOM 0 HB2 LYS A 56 -23.769 10.915 9.202 1.00 1.25 H new ATOM 0 HB3 LYS A 56 -23.277 10.414 10.807 1.00 1.25 H new ATOM 0 HG2 LYS A 56 -25.467 12.444 10.207 1.00 1.44 H new ATOM 0 HG3 LYS A 56 -25.736 10.755 10.593 1.00 1.44 H new ATOM 0 HD2 LYS A 56 -25.102 11.023 12.853 1.00 2.37 H new ATOM 0 HD3 LYS A 56 -24.164 12.467 12.530 1.00 2.37 H new ATOM 0 HE2 LYS A 56 -27.206 12.347 12.289 1.00 3.27 H new ATOM 0 HE3 LYS A 56 -26.370 12.870 13.738 1.00 3.27 H new ATOM 0 HZ1 LYS A 56 -26.816 14.822 12.596 1.00 4.74 H new ATOM 0 HZ2 LYS A 56 -25.194 14.518 12.196 1.00 4.74 H new ATOM 0 HZ3 LYS A 56 -26.424 14.165 11.080 1.00 4.74 H new ATOM 863 N LYS A 57 -20.234 11.971 10.072 1.00 1.24 N ATOM 864 CA LYS A 57 -18.936 11.720 9.441 1.00 1.15 C ATOM 865 C LYS A 57 -18.555 10.233 9.474 1.00 1.20 C ATOM 866 O LYS A 57 -18.572 9.604 10.526 1.00 1.37 O ATOM 867 CB LYS A 57 -17.870 12.652 10.038 1.00 1.23 C ATOM 868 CG LYS A 57 -17.630 12.513 11.551 1.00 2.39 C ATOM 869 CD LYS A 57 -16.842 13.710 12.114 1.00 2.86 C ATOM 870 CE LYS A 57 -17.723 14.820 12.724 1.00 2.90 C ATOM 871 NZ LYS A 57 -18.593 15.515 11.743 1.00 2.95 N ATOM 0 H LYS A 57 -20.167 12.075 11.084 1.00 1.24 H new ATOM 0 HA LYS A 57 -19.006 11.961 8.380 1.00 1.15 H new ATOM 0 HB2 LYS A 57 -16.927 12.472 9.522 1.00 1.23 H new ATOM 0 HB3 LYS A 57 -18.157 13.682 9.828 1.00 1.23 H new ATOM 0 HG2 LYS A 57 -18.588 12.433 12.066 1.00 2.39 H new ATOM 0 HG3 LYS A 57 -17.083 11.591 11.750 1.00 2.39 H new ATOM 0 HD2 LYS A 57 -16.152 13.349 12.877 1.00 2.86 H new ATOM 0 HD3 LYS A 57 -16.237 14.140 11.315 1.00 2.86 H new ATOM 0 HE2 LYS A 57 -18.349 14.384 13.503 1.00 2.90 H new ATOM 0 HE3 LYS A 57 -17.079 15.555 13.206 1.00 2.90 H new ATOM 0 HZ1 LYS A 57 -19.010 16.359 12.185 1.00 2.95 H new ATOM 0 HZ2 LYS A 57 -18.027 15.800 10.918 1.00 2.95 H new ATOM 0 HZ3 LYS A 57 -19.353 14.874 11.437 1.00 2.95 H new ATOM 885 N VAL A 58 -18.241 9.694 8.302 1.00 1.13 N ATOM 886 CA VAL A 58 -18.016 8.267 8.015 1.00 1.20 C ATOM 887 C VAL A 58 -16.902 8.157 6.964 1.00 1.12 C ATOM 888 O VAL A 58 -16.792 9.020 6.091 1.00 1.26 O ATOM 889 CB VAL A 58 -19.316 7.590 7.501 1.00 1.29 C ATOM 890 CG1 VAL A 58 -19.138 6.071 7.329 1.00 2.52 C ATOM 891 CG2 VAL A 58 -20.524 7.824 8.430 1.00 2.18 C ATOM 0 H VAL A 58 -18.128 10.271 7.469 1.00 1.13 H new ATOM 0 HA VAL A 58 -17.721 7.753 8.930 1.00 1.20 H new ATOM 0 HB VAL A 58 -19.514 8.058 6.537 1.00 1.29 H new ATOM 0 HG11 VAL A 58 -20.069 5.634 6.968 1.00 2.52 H new ATOM 0 HG12 VAL A 58 -18.343 5.877 6.609 1.00 2.52 H new ATOM 0 HG13 VAL A 58 -18.876 5.625 8.288 1.00 2.52 H new ATOM 0 HG21 VAL A 58 -21.402 7.327 8.018 1.00 2.18 H new ATOM 0 HG22 VAL A 58 -20.307 7.418 9.418 1.00 2.18 H new ATOM 0 HG23 VAL A 58 -20.718 8.893 8.512 1.00 2.18 H new ATOM 901 N MET A 59 -16.060 7.126 7.045 1.00 1.06 N ATOM 902 CA MET A 59 -14.949 6.908 6.106 1.00 0.94 C ATOM 903 C MET A 59 -15.335 6.046 4.896 1.00 0.93 C ATOM 904 O MET A 59 -16.427 5.484 4.826 1.00 1.02 O ATOM 905 CB MET A 59 -13.744 6.314 6.856 1.00 0.98 C ATOM 906 CG MET A 59 -13.134 7.382 7.763 1.00 1.03 C ATOM 907 SD MET A 59 -11.616 6.874 8.606 1.00 2.44 S ATOM 908 CE MET A 59 -12.328 5.928 9.974 1.00 3.24 C ATOM 0 H MET A 59 -16.127 6.410 7.769 1.00 1.06 H new ATOM 0 HA MET A 59 -14.677 7.880 5.695 1.00 0.94 H new ATOM 0 HB2 MET A 59 -14.058 5.454 7.448 1.00 0.98 H new ATOM 0 HB3 MET A 59 -12.999 5.956 6.145 1.00 0.98 H new ATOM 0 HG2 MET A 59 -12.924 8.270 7.167 1.00 1.03 H new ATOM 0 HG3 MET A 59 -13.872 7.669 8.512 1.00 1.03 H new ATOM 0 HE1 MET A 59 -11.527 5.537 10.602 1.00 3.24 H new ATOM 0 HE2 MET A 59 -12.972 6.576 10.569 1.00 3.24 H new ATOM 0 HE3 MET A 59 -12.915 5.100 9.577 1.00 3.24 H new ATOM 918 N GLY A 60 -14.413 5.936 3.938 1.00 0.91 N ATOM 919 CA GLY A 60 -14.454 4.962 2.852 1.00 1.13 C ATOM 920 C GLY A 60 -13.064 4.678 2.294 1.00 0.99 C ATOM 921 O GLY A 60 -12.073 5.260 2.725 1.00 0.77 O ATOM 0 H GLY A 60 -13.593 6.542 3.898 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -14.898 4.034 3.213 1.00 1.13 H new ATOM 0 HA3 GLY A 60 -15.097 5.334 2.054 1.00 1.13 H new ATOM 925 N MET A 61 -12.994 3.810 1.289 1.00 1.15 N ATOM 926 CA MET A 61 -11.840 3.705 0.389 1.00 0.79 C ATOM 927 C MET A 61 -12.297 3.503 -1.059 1.00 0.75 C ATOM 928 O MET A 61 -13.457 3.160 -1.298 1.00 0.84 O ATOM 929 CB MET A 61 -10.778 2.694 0.887 1.00 1.31 C ATOM 930 CG MET A 61 -11.162 1.413 1.645 1.00 1.53 C ATOM 931 SD MET A 61 -11.026 -0.182 0.758 1.00 0.60 S ATOM 932 CE MET A 61 -11.887 0.264 -0.760 1.00 3.34 C ATOM 0 H MET A 61 -13.742 3.151 1.071 1.00 1.15 H new ATOM 0 HA MET A 61 -11.308 4.656 0.403 1.00 0.79 H new ATOM 0 HB2 MET A 61 -10.207 2.382 0.012 1.00 1.31 H new ATOM 0 HB3 MET A 61 -10.096 3.248 1.532 1.00 1.31 H new ATOM 0 HG2 MET A 61 -10.539 1.353 2.537 1.00 1.53 H new ATOM 0 HG3 MET A 61 -12.193 1.521 1.983 1.00 1.53 H new ATOM 0 HE1 MET A 61 -12.141 -0.640 -1.313 1.00 3.34 H new ATOM 0 HE2 MET A 61 -12.799 0.808 -0.515 1.00 3.34 H new ATOM 0 HE3 MET A 61 -11.242 0.895 -1.372 1.00 3.34 H new ATOM 942 N ARG A 62 -11.407 3.749 -2.023 1.00 0.66 N ATOM 943 CA ARG A 62 -11.682 3.655 -3.467 1.00 0.62 C ATOM 944 C ARG A 62 -10.367 3.441 -4.243 1.00 0.48 C ATOM 945 O ARG A 62 -9.315 3.817 -3.718 1.00 0.44 O ATOM 946 CB ARG A 62 -12.485 4.890 -3.955 1.00 0.76 C ATOM 947 CG ARG A 62 -11.665 6.189 -4.021 1.00 1.52 C ATOM 948 CD ARG A 62 -12.439 7.356 -4.646 1.00 1.66 C ATOM 949 NE ARG A 62 -11.599 8.563 -4.666 1.00 2.71 N ATOM 950 CZ ARG A 62 -11.119 9.250 -5.691 1.00 3.64 C ATOM 951 NH1 ARG A 62 -11.532 9.071 -6.931 1.00 3.82 N ATOM 952 NH2 ARG A 62 -10.183 10.140 -5.463 1.00 4.63 N ATOM 0 H ARG A 62 -10.447 4.027 -1.820 1.00 0.66 H new ATOM 0 HA ARG A 62 -12.311 2.787 -3.663 1.00 0.62 H new ATOM 0 HB2 ARG A 62 -12.890 4.678 -4.945 1.00 0.76 H new ATOM 0 HB3 ARG A 62 -13.334 5.043 -3.289 1.00 0.76 H new ATOM 0 HG2 ARG A 62 -11.352 6.466 -3.014 1.00 1.52 H new ATOM 0 HG3 ARG A 62 -10.758 6.011 -4.599 1.00 1.52 H new ATOM 0 HD2 ARG A 62 -12.745 7.099 -5.660 1.00 1.66 H new ATOM 0 HD3 ARG A 62 -13.349 7.546 -4.077 1.00 1.66 H new ATOM 0 HE ARG A 62 -11.347 8.928 -3.747 1.00 2.71 H new ATOM 0 HH11 ARG A 62 -12.252 8.378 -7.134 1.00 3.82 H new ATOM 0 HH12 ARG A 62 -11.131 9.626 -7.687 1.00 3.82 H new ATOM 0 HH21 ARG A 62 -9.842 10.289 -4.513 1.00 4.63 H new ATOM 0 HH22 ARG A 62 -9.796 10.683 -6.235 1.00 4.63 H new ATOM 966 N PRO A 63 -10.382 2.832 -5.444 1.00 0.48 N ATOM 967 CA PRO A 63 -9.169 2.619 -6.219 1.00 0.46 C ATOM 968 C PRO A 63 -8.671 3.910 -6.870 1.00 0.46 C ATOM 969 O PRO A 63 -9.454 4.825 -7.126 1.00 0.47 O ATOM 970 CB PRO A 63 -9.514 1.539 -7.241 1.00 0.49 C ATOM 971 CG PRO A 63 -11.001 1.783 -7.492 1.00 0.53 C ATOM 972 CD PRO A 63 -11.516 2.213 -6.116 1.00 0.56 C ATOM 0 HA PRO A 63 -8.342 2.300 -5.585 1.00 0.46 H new ATOM 0 HB2 PRO A 63 -8.926 1.641 -8.153 1.00 0.49 H new ATOM 0 HB3 PRO A 63 -9.327 0.538 -6.852 1.00 0.49 H new ATOM 0 HG2 PRO A 63 -11.162 2.556 -8.243 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.503 0.883 -7.848 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.345 2.914 -6.210 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -11.885 1.357 -5.552 1.00 0.56 H new ATOM 980 N VAL A 64 -7.362 3.955 -7.136 1.00 0.46 N ATOM 981 CA VAL A 64 -6.653 5.078 -7.775 1.00 0.47 C ATOM 982 C VAL A 64 -5.634 4.547 -8.806 1.00 0.49 C ATOM 983 O VAL A 64 -5.216 3.394 -8.683 1.00 0.50 O ATOM 984 CB VAL A 64 -5.973 6.004 -6.733 1.00 0.49 C ATOM 985 CG1 VAL A 64 -7.013 6.683 -5.829 1.00 0.57 C ATOM 986 CG2 VAL A 64 -4.917 5.292 -5.875 1.00 0.69 C ATOM 0 H VAL A 64 -6.739 3.181 -6.905 1.00 0.46 H new ATOM 0 HA VAL A 64 -7.391 5.686 -8.298 1.00 0.47 H new ATOM 0 HB VAL A 64 -5.449 6.762 -7.315 1.00 0.49 H new ATOM 0 HG11 VAL A 64 -6.505 7.325 -5.109 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -7.688 7.284 -6.439 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -7.584 5.922 -5.297 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -4.484 6.001 -5.169 1.00 0.69 H new ATOM 0 HG22 VAL A 64 -5.385 4.474 -5.327 1.00 0.69 H new ATOM 0 HG23 VAL A 64 -4.132 4.895 -6.519 1.00 0.69 H new ATOM 996 N PRO A 65 -5.251 5.333 -9.837 1.00 0.52 N ATOM 997 CA PRO A 65 -4.501 4.830 -10.991 1.00 0.55 C ATOM 998 C PRO A 65 -2.993 4.738 -10.741 1.00 0.54 C ATOM 999 O PRO A 65 -2.338 3.914 -11.374 1.00 0.55 O ATOM 1000 CB PRO A 65 -4.836 5.803 -12.127 1.00 0.61 C ATOM 1001 CG PRO A 65 -5.021 7.134 -11.405 1.00 0.61 C ATOM 1002 CD PRO A 65 -5.636 6.721 -10.068 1.00 0.55 C ATOM 0 HA PRO A 65 -4.785 3.804 -11.225 1.00 0.55 H new ATOM 0 HB2 PRO A 65 -4.034 5.853 -12.864 1.00 0.61 H new ATOM 0 HB3 PRO A 65 -5.739 5.505 -12.659 1.00 0.61 H new ATOM 0 HG2 PRO A 65 -4.073 7.654 -11.269 1.00 0.61 H new ATOM 0 HG3 PRO A 65 -5.676 7.806 -11.960 1.00 0.61 H new ATOM 0 HD2 PRO A 65 -5.276 7.361 -9.263 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -6.721 6.822 -10.094 1.00 0.55 H new ATOM 1010 N PHE A 66 -2.455 5.559 -9.831 1.00 0.53 N ATOM 1011 CA PHE A 66 -1.029 5.658 -9.494 1.00 0.54 C ATOM 1012 C PHE A 66 -0.797 6.647 -8.340 1.00 0.56 C ATOM 1013 O PHE A 66 -1.660 7.469 -8.025 1.00 0.57 O ATOM 1014 CB PHE A 66 -0.192 6.062 -10.723 1.00 0.58 C ATOM 1015 CG PHE A 66 -0.500 7.441 -11.237 1.00 0.60 C ATOM 1016 CD1 PHE A 66 0.122 8.549 -10.646 1.00 1.68 C ATOM 1017 CD2 PHE A 66 -1.446 7.612 -12.254 1.00 2.24 C ATOM 1018 CE1 PHE A 66 -0.222 9.848 -11.038 1.00 1.68 C ATOM 1019 CE2 PHE A 66 -1.774 8.914 -12.681 1.00 2.27 C ATOM 1020 CZ PHE A 66 -1.166 10.033 -12.069 1.00 0.66 C ATOM 0 H PHE A 66 -3.028 6.202 -9.284 1.00 0.53 H new ATOM 0 HA PHE A 66 -0.703 4.670 -9.168 1.00 0.54 H new ATOM 0 HB2 PHE A 66 0.866 6.008 -10.465 1.00 0.58 H new ATOM 0 HB3 PHE A 66 -0.363 5.340 -11.521 1.00 0.58 H new ATOM 0 HD1 PHE A 66 0.872 8.400 -9.883 1.00 1.68 H new ATOM 0 HD2 PHE A 66 -1.920 6.754 -12.707 1.00 2.24 H new ATOM 0 HE1 PHE A 66 0.232 10.701 -10.555 1.00 1.68 H new ATOM 0 HE2 PHE A 66 -2.490 9.057 -13.476 1.00 2.27 H new ATOM 0 HZ PHE A 66 -1.425 11.031 -12.391 1.00 0.66 H new ATOM 1030 N LEU A 67 0.413 6.610 -7.772 1.00 0.60 N ATOM 1031 CA LEU A 67 0.969 7.616 -6.863 1.00 0.60 C ATOM 1032 C LEU A 67 2.173 8.310 -7.503 1.00 0.59 C ATOM 1033 O LEU A 67 2.898 7.692 -8.278 1.00 0.58 O ATOM 1034 CB LEU A 67 1.445 6.950 -5.562 1.00 0.66 C ATOM 1035 CG LEU A 67 0.414 6.095 -4.809 1.00 0.65 C ATOM 1036 CD1 LEU A 67 1.053 5.660 -3.494 1.00 0.77 C ATOM 1037 CD2 LEU A 67 -0.894 6.833 -4.514 1.00 0.60 C ATOM 0 H LEU A 67 1.061 5.841 -7.942 1.00 0.60 H new ATOM 0 HA LEU A 67 0.185 8.344 -6.653 1.00 0.60 H new ATOM 0 HB2 LEU A 67 2.304 6.321 -5.796 1.00 0.66 H new ATOM 0 HB3 LEU A 67 1.797 7.731 -4.888 1.00 0.66 H new ATOM 0 HG LEU A 67 0.150 5.249 -5.443 1.00 0.65 H new ATOM 0 HD11 LEU A 67 0.347 5.049 -2.931 1.00 0.77 H new ATOM 0 HD12 LEU A 67 1.952 5.079 -3.701 1.00 0.77 H new ATOM 0 HD13 LEU A 67 1.317 6.541 -2.909 1.00 0.77 H new ATOM 0 HD21 LEU A 67 -1.574 6.169 -3.981 1.00 0.60 H new ATOM 0 HD22 LEU A 67 -0.687 7.709 -3.900 1.00 0.60 H new ATOM 0 HD23 LEU A 67 -1.354 7.147 -5.451 1.00 0.60 H new ATOM 1049 N GLU A 68 2.415 9.558 -7.115 1.00 0.62 N ATOM 1050 CA GLU A 68 3.544 10.371 -7.573 1.00 0.68 C ATOM 1051 C GLU A 68 4.383 10.781 -6.367 1.00 0.73 C ATOM 1052 O GLU A 68 3.814 11.178 -5.350 1.00 0.84 O ATOM 1053 CB GLU A 68 3.026 11.647 -8.263 1.00 0.79 C ATOM 1054 CG GLU A 68 4.150 12.495 -8.894 1.00 0.88 C ATOM 1055 CD GLU A 68 4.644 11.920 -10.227 1.00 0.92 C ATOM 1056 OE1 GLU A 68 4.280 10.772 -10.563 1.00 1.81 O ATOM 1057 OE2 GLU A 68 5.325 12.643 -10.985 1.00 1.56 O ATOM 0 H GLU A 68 1.814 10.049 -6.453 1.00 0.62 H new ATOM 0 HA GLU A 68 4.141 9.790 -8.276 1.00 0.68 H new ATOM 0 HB2 GLU A 68 2.311 11.369 -9.037 1.00 0.79 H new ATOM 0 HB3 GLU A 68 2.487 12.253 -7.535 1.00 0.79 H new ATOM 0 HG2 GLU A 68 3.788 13.511 -9.052 1.00 0.88 H new ATOM 0 HG3 GLU A 68 4.986 12.559 -8.198 1.00 0.88 H new ATOM 1064 N VAL A 69 5.716 10.746 -6.497 1.00 0.71 N ATOM 1065 CA VAL A 69 6.625 11.306 -5.484 1.00 0.78 C ATOM 1066 C VAL A 69 7.835 12.022 -6.119 1.00 0.76 C ATOM 1067 O VAL A 69 8.547 11.409 -6.918 1.00 0.71 O ATOM 1068 CB VAL A 69 7.100 10.226 -4.472 1.00 0.80 C ATOM 1069 CG1 VAL A 69 7.975 10.813 -3.351 1.00 0.90 C ATOM 1070 CG2 VAL A 69 5.938 9.479 -3.798 1.00 0.93 C ATOM 0 H VAL A 69 6.193 10.333 -7.299 1.00 0.71 H new ATOM 0 HA VAL A 69 6.049 12.052 -4.936 1.00 0.78 H new ATOM 0 HB VAL A 69 7.680 9.531 -5.079 1.00 0.80 H new ATOM 0 HG11 VAL A 69 8.279 10.016 -2.672 1.00 0.90 H new ATOM 0 HG12 VAL A 69 8.860 11.277 -3.786 1.00 0.90 H new ATOM 0 HG13 VAL A 69 7.406 11.562 -2.800 1.00 0.90 H new ATOM 0 HG21 VAL A 69 6.335 8.739 -3.103 1.00 0.93 H new ATOM 0 HG22 VAL A 69 5.315 10.189 -3.254 1.00 0.93 H new ATOM 0 HG23 VAL A 69 5.338 8.978 -4.558 1.00 0.93 H new ATOM 1080 N PRO A 70 8.108 13.297 -5.758 1.00 0.88 N ATOM 1081 CA PRO A 70 9.231 14.083 -6.279 1.00 0.91 C ATOM 1082 C PRO A 70 10.580 13.619 -5.694 1.00 0.83 C ATOM 1083 O PRO A 70 10.591 12.953 -4.659 1.00 0.86 O ATOM 1084 CB PRO A 70 8.918 15.533 -5.886 1.00 1.10 C ATOM 1085 CG PRO A 70 8.147 15.378 -4.579 1.00 1.16 C ATOM 1086 CD PRO A 70 7.333 14.110 -4.825 1.00 1.04 C ATOM 0 HA PRO A 70 9.334 13.965 -7.358 1.00 0.91 H new ATOM 0 HB2 PRO A 70 9.827 16.119 -5.751 1.00 1.10 H new ATOM 0 HB3 PRO A 70 8.323 16.038 -6.647 1.00 1.10 H new ATOM 0 HG2 PRO A 70 8.815 15.272 -3.724 1.00 1.16 H new ATOM 0 HG3 PRO A 70 7.508 16.238 -4.380 1.00 1.16 H new ATOM 0 HD2 PRO A 70 7.160 13.573 -3.893 1.00 1.04 H new ATOM 0 HD3 PRO A 70 6.354 14.351 -5.240 1.00 1.04 H new ATOM 1094 N PRO A 71 11.719 13.967 -6.328 1.00 0.81 N ATOM 1095 CA PRO A 71 13.045 13.516 -5.916 1.00 0.76 C ATOM 1096 C PRO A 71 13.406 13.940 -4.491 1.00 0.83 C ATOM 1097 O PRO A 71 13.083 15.044 -4.059 1.00 0.94 O ATOM 1098 CB PRO A 71 14.020 14.065 -6.957 1.00 0.79 C ATOM 1099 CG PRO A 71 13.275 15.219 -7.617 1.00 0.87 C ATOM 1100 CD PRO A 71 11.819 14.781 -7.532 1.00 0.88 C ATOM 0 HA PRO A 71 13.085 12.427 -5.879 1.00 0.76 H new ATOM 0 HB2 PRO A 71 14.945 14.406 -6.492 1.00 0.79 H new ATOM 0 HB3 PRO A 71 14.292 13.301 -7.686 1.00 0.79 H new ATOM 0 HG2 PRO A 71 13.444 16.160 -7.094 1.00 0.87 H new ATOM 0 HG3 PRO A 71 13.592 15.366 -8.649 1.00 0.87 H new ATOM 0 HD2 PRO A 71 11.154 15.643 -7.478 1.00 0.88 H new ATOM 0 HD3 PRO A 71 11.530 14.211 -8.415 1.00 0.88 H new ATOM 1108 N LYS A 72 14.061 13.028 -3.761 1.00 0.84 N ATOM 1109 CA LYS A 72 14.551 13.178 -2.376 1.00 0.97 C ATOM 1110 C LYS A 72 13.441 13.263 -1.312 1.00 1.08 C ATOM 1111 O LYS A 72 13.734 13.341 -0.121 1.00 1.27 O ATOM 1112 CB LYS A 72 15.536 14.356 -2.262 1.00 1.08 C ATOM 1113 CG LYS A 72 16.590 14.421 -3.376 1.00 1.28 C ATOM 1114 CD LYS A 72 17.479 13.171 -3.478 1.00 1.04 C ATOM 1115 CE LYS A 72 18.366 13.305 -4.718 1.00 1.44 C ATOM 1116 NZ LYS A 72 19.157 12.084 -4.992 1.00 1.66 N ATOM 0 H LYS A 72 14.279 12.107 -4.141 1.00 0.84 H new ATOM 0 HA LYS A 72 15.083 12.253 -2.153 1.00 0.97 H new ATOM 0 HB2 LYS A 72 14.969 15.287 -2.262 1.00 1.08 H new ATOM 0 HB3 LYS A 72 16.046 14.293 -1.301 1.00 1.08 H new ATOM 0 HG2 LYS A 72 16.085 14.572 -4.330 1.00 1.28 H new ATOM 0 HG3 LYS A 72 17.225 15.292 -3.210 1.00 1.28 H new ATOM 0 HD2 LYS A 72 18.092 13.069 -2.583 1.00 1.04 H new ATOM 0 HD3 LYS A 72 16.864 12.274 -3.547 1.00 1.04 H new ATOM 0 HE2 LYS A 72 17.742 13.530 -5.583 1.00 1.44 H new ATOM 0 HE3 LYS A 72 19.043 14.149 -4.585 1.00 1.44 H new ATOM 0 HZ1 LYS A 72 19.221 11.935 -6.019 1.00 1.66 H new ATOM 0 HZ2 LYS A 72 20.113 12.194 -4.598 1.00 1.66 H new ATOM 0 HZ3 LYS A 72 18.693 11.264 -4.551 1.00 1.66 H new ATOM 1130 N GLY A 73 12.175 13.257 -1.736 1.00 1.08 N ATOM 1131 CA GLY A 73 10.985 13.255 -0.874 1.00 1.20 C ATOM 1132 C GLY A 73 10.439 11.851 -0.604 1.00 1.21 C ATOM 1133 O GLY A 73 10.808 10.890 -1.281 1.00 1.20 O ATOM 0 H GLY A 73 11.939 13.253 -2.728 1.00 1.08 H new ATOM 0 HA2 GLY A 73 11.231 13.731 0.075 1.00 1.20 H new ATOM 0 HA3 GLY A 73 10.205 13.858 -1.340 1.00 1.20 H new ATOM 1137 N ARG A 74 9.501 11.750 0.346 1.00 1.37 N ATOM 1138 CA ARG A 74 8.750 10.519 0.627 1.00 1.41 C ATOM 1139 C ARG A 74 7.291 10.795 1.009 1.00 1.60 C ATOM 1140 O ARG A 74 6.971 11.910 1.420 1.00 1.93 O ATOM 1141 CB ARG A 74 9.470 9.663 1.687 1.00 1.59 C ATOM 1142 CG ARG A 74 9.469 10.194 3.131 1.00 1.53 C ATOM 1143 CD ARG A 74 9.498 9.035 4.120 1.00 1.54 C ATOM 1144 NE ARG A 74 10.740 8.252 4.072 1.00 2.67 N ATOM 1145 CZ ARG A 74 10.903 7.039 4.576 1.00 3.64 C ATOM 1146 NH1 ARG A 74 9.949 6.412 5.216 1.00 3.80 N ATOM 1147 NH2 ARG A 74 12.044 6.401 4.454 1.00 5.26 N ATOM 0 H ARG A 74 9.239 12.530 0.949 1.00 1.37 H new ATOM 0 HA ARG A 74 8.717 9.945 -0.299 1.00 1.41 H new ATOM 0 HB2 ARG A 74 9.014 8.673 1.690 1.00 1.59 H new ATOM 0 HB3 ARG A 74 10.506 9.536 1.373 1.00 1.59 H new ATOM 0 HG2 ARG A 74 10.334 10.838 3.290 1.00 1.53 H new ATOM 0 HG3 ARG A 74 8.582 10.804 3.301 1.00 1.53 H new ATOM 0 HD2 ARG A 74 9.363 9.426 5.129 1.00 1.54 H new ATOM 0 HD3 ARG A 74 8.654 8.375 3.918 1.00 1.54 H new ATOM 0 HE ARG A 74 11.544 8.679 3.612 1.00 2.67 H new ATOM 0 HH11 ARG A 74 9.040 6.858 5.341 1.00 3.80 H new ATOM 0 HH12 ARG A 74 10.114 5.477 5.590 1.00 3.80 H new ATOM 0 HH21 ARG A 74 12.824 6.840 3.964 1.00 5.26 H new ATOM 0 HH22 ARG A 74 12.151 5.467 4.849 1.00 5.26 H new ATOM 1161 N VAL A 75 6.435 9.783 0.853 1.00 1.75 N ATOM 1162 CA VAL A 75 5.011 9.741 1.234 1.00 2.28 C ATOM 1163 C VAL A 75 4.602 8.272 1.429 1.00 1.81 C ATOM 1164 O VAL A 75 4.562 7.520 0.458 1.00 2.12 O ATOM 1165 CB VAL A 75 4.082 10.358 0.149 1.00 3.27 C ATOM 1166 CG1 VAL A 75 2.616 10.363 0.626 1.00 3.97 C ATOM 1167 CG2 VAL A 75 4.437 11.797 -0.264 1.00 3.76 C ATOM 0 H VAL A 75 6.735 8.906 0.427 1.00 1.75 H new ATOM 0 HA VAL A 75 4.898 10.325 2.147 1.00 2.28 H new ATOM 0 HB VAL A 75 4.227 9.719 -0.722 1.00 3.27 H new ATOM 0 HG11 VAL A 75 1.983 10.798 -0.147 1.00 3.97 H new ATOM 0 HG12 VAL A 75 2.295 9.341 0.825 1.00 3.97 H new ATOM 0 HG13 VAL A 75 2.532 10.953 1.538 1.00 3.97 H new ATOM 0 HG21 VAL A 75 3.735 12.141 -1.024 1.00 3.76 H new ATOM 0 HG22 VAL A 75 4.379 12.450 0.607 1.00 3.76 H new ATOM 0 HG23 VAL A 75 5.449 11.820 -0.668 1.00 3.76 H new ATOM 1177 N GLU A 76 4.270 7.847 2.655 1.00 1.43 N ATOM 1178 CA GLU A 76 3.880 6.456 2.893 1.00 0.98 C ATOM 1179 C GLU A 76 2.433 6.180 2.435 1.00 0.91 C ATOM 1180 O GLU A 76 1.563 7.050 2.558 1.00 1.15 O ATOM 1181 CB GLU A 76 4.007 5.942 4.348 1.00 1.30 C ATOM 1182 CG GLU A 76 5.000 6.445 5.411 1.00 1.79 C ATOM 1183 CD GLU A 76 6.073 7.459 5.051 1.00 2.21 C ATOM 1184 OE1 GLU A 76 5.718 8.631 4.800 1.00 2.68 O ATOM 1185 OE2 GLU A 76 7.259 7.060 5.074 1.00 3.56 O ATOM 0 H GLU A 76 4.264 8.439 3.486 1.00 1.43 H new ATOM 0 HA GLU A 76 4.612 5.911 2.297 1.00 0.98 H new ATOM 0 HB2 GLU A 76 3.018 6.067 4.789 1.00 1.30 H new ATOM 0 HB3 GLU A 76 4.186 4.870 4.265 1.00 1.30 H new ATOM 0 HG2 GLU A 76 4.412 6.874 6.222 1.00 1.79 H new ATOM 0 HG3 GLU A 76 5.508 5.570 5.815 1.00 1.79 H new ATOM 1192 N LEU A 77 2.126 4.934 2.037 1.00 0.73 N ATOM 1193 CA LEU A 77 0.745 4.449 1.939 1.00 0.74 C ATOM 1194 C LEU A 77 0.193 4.189 3.351 1.00 1.10 C ATOM 1195 O LEU A 77 -0.051 3.062 3.766 1.00 2.16 O ATOM 1196 CB LEU A 77 0.608 3.226 1.007 1.00 0.76 C ATOM 1197 CG LEU A 77 0.872 3.496 -0.488 1.00 0.69 C ATOM 1198 CD1 LEU A 77 2.345 3.317 -0.889 1.00 0.61 C ATOM 1199 CD2 LEU A 77 0.020 2.531 -1.329 1.00 1.11 C ATOM 0 H LEU A 77 2.827 4.240 1.776 1.00 0.73 H new ATOM 0 HA LEU A 77 0.138 5.224 1.471 1.00 0.74 H new ATOM 0 HB2 LEU A 77 1.299 2.454 1.346 1.00 0.76 H new ATOM 0 HB3 LEU A 77 -0.399 2.822 1.113 1.00 0.76 H new ATOM 0 HG LEU A 77 0.608 4.538 -0.671 1.00 0.69 H new ATOM 0 HD11 LEU A 77 2.460 3.522 -1.953 1.00 0.61 H new ATOM 0 HD12 LEU A 77 2.964 4.008 -0.317 1.00 0.61 H new ATOM 0 HD13 LEU A 77 2.657 2.293 -0.681 1.00 0.61 H new ATOM 0 HD21 LEU A 77 0.200 2.715 -2.388 1.00 1.11 H new ATOM 0 HD22 LEU A 77 0.290 1.503 -1.088 1.00 1.11 H new ATOM 0 HD23 LEU A 77 -1.035 2.690 -1.108 1.00 1.11 H new ATOM 1211 N LYS A 78 0.057 5.255 4.133 1.00 0.87 N ATOM 1212 CA LYS A 78 -0.346 5.207 5.537 1.00 1.09 C ATOM 1213 C LYS A 78 -1.728 4.540 5.753 1.00 0.93 C ATOM 1214 O LYS A 78 -2.643 4.781 4.956 1.00 0.83 O ATOM 1215 CB LYS A 78 -0.314 6.637 6.108 1.00 1.43 C ATOM 1216 CG LYS A 78 -1.150 7.644 5.289 1.00 1.25 C ATOM 1217 CD LYS A 78 -1.186 9.012 5.965 1.00 1.93 C ATOM 1218 CE LYS A 78 -1.954 9.981 5.059 1.00 2.65 C ATOM 1219 NZ LYS A 78 -2.172 11.289 5.718 1.00 4.13 N ATOM 0 H LYS A 78 0.229 6.204 3.800 1.00 0.87 H new ATOM 0 HA LYS A 78 0.362 4.575 6.073 1.00 1.09 H new ATOM 0 HB2 LYS A 78 -0.683 6.619 7.133 1.00 1.43 H new ATOM 0 HB3 LYS A 78 0.719 6.981 6.147 1.00 1.43 H new ATOM 0 HG2 LYS A 78 -0.729 7.741 4.288 1.00 1.25 H new ATOM 0 HG3 LYS A 78 -2.166 7.267 5.172 1.00 1.25 H new ATOM 0 HD2 LYS A 78 -1.669 8.941 6.939 1.00 1.93 H new ATOM 0 HD3 LYS A 78 -0.173 9.376 6.137 1.00 1.93 H new ATOM 0 HE2 LYS A 78 -1.401 10.128 4.131 1.00 2.65 H new ATOM 0 HE3 LYS A 78 -2.916 9.544 4.790 1.00 2.65 H new ATOM 0 HZ1 LYS A 78 -2.694 11.919 5.076 1.00 4.13 H new ATOM 0 HZ2 LYS A 78 -2.721 11.151 6.590 1.00 4.13 H new ATOM 0 HZ3 LYS A 78 -1.254 11.717 5.952 1.00 4.13 H new ATOM 1233 N PRO A 79 -1.945 3.811 6.872 1.00 1.25 N ATOM 1234 CA PRO A 79 -3.268 3.337 7.279 1.00 1.31 C ATOM 1235 C PRO A 79 -4.123 4.533 7.727 1.00 1.15 C ATOM 1236 O PRO A 79 -4.207 4.859 8.906 1.00 2.67 O ATOM 1237 CB PRO A 79 -3.011 2.318 8.395 1.00 1.93 C ATOM 1238 CG PRO A 79 -1.716 2.810 9.036 1.00 2.15 C ATOM 1239 CD PRO A 79 -0.951 3.448 7.879 1.00 1.78 C ATOM 0 HA PRO A 79 -3.828 2.862 6.474 1.00 1.31 H new ATOM 0 HB2 PRO A 79 -3.831 2.294 9.113 1.00 1.93 H new ATOM 0 HB3 PRO A 79 -2.904 1.308 7.999 1.00 1.93 H new ATOM 0 HG2 PRO A 79 -1.912 3.530 9.830 1.00 2.15 H new ATOM 0 HG3 PRO A 79 -1.154 1.989 9.482 1.00 2.15 H new ATOM 0 HD2 PRO A 79 -0.402 4.327 8.216 1.00 1.78 H new ATOM 0 HD3 PRO A 79 -0.219 2.753 7.468 1.00 1.78 H new ATOM 1247 N GLY A 80 -4.697 5.228 6.744 1.00 1.13 N ATOM 1248 CA GLY A 80 -5.233 6.584 6.893 1.00 1.13 C ATOM 1249 C GLY A 80 -5.001 7.468 5.670 1.00 1.37 C ATOM 1250 O GLY A 80 -4.782 8.671 5.822 1.00 2.40 O ATOM 0 H GLY A 80 -4.805 4.856 5.800 1.00 1.13 H new ATOM 0 HA2 GLY A 80 -6.303 6.524 7.090 1.00 1.13 H new ATOM 0 HA3 GLY A 80 -4.775 7.054 7.763 1.00 1.13 H new ATOM 1254 N GLY A 81 -5.025 6.897 4.458 1.00 0.90 N ATOM 1255 CA GLY A 81 -5.234 7.660 3.221 1.00 0.94 C ATOM 1256 C GLY A 81 -4.832 6.997 1.913 1.00 1.20 C ATOM 1257 O GLY A 81 -5.421 7.313 0.890 1.00 2.42 O ATOM 0 H GLY A 81 -4.900 5.896 4.308 1.00 0.90 H new ATOM 0 HA2 GLY A 81 -6.292 7.916 3.158 1.00 0.94 H new ATOM 0 HA3 GLY A 81 -4.684 8.597 3.306 1.00 0.94 H new ATOM 1261 N TYR A 82 -3.884 6.061 1.934 1.00 0.54 N ATOM 1262 CA TYR A 82 -3.556 5.181 0.803 1.00 0.52 C ATOM 1263 C TYR A 82 -3.140 3.799 1.284 1.00 0.54 C ATOM 1264 O TYR A 82 -2.540 3.666 2.340 1.00 0.65 O ATOM 1265 CB TYR A 82 -2.441 5.766 -0.067 1.00 0.59 C ATOM 1266 CG TYR A 82 -2.862 6.991 -0.834 1.00 0.61 C ATOM 1267 CD1 TYR A 82 -3.504 6.852 -2.075 1.00 1.86 C ATOM 1268 CD2 TYR A 82 -2.681 8.261 -0.264 1.00 1.59 C ATOM 1269 CE1 TYR A 82 -3.964 7.989 -2.755 1.00 1.89 C ATOM 1270 CE2 TYR A 82 -3.172 9.400 -0.924 1.00 1.59 C ATOM 1271 CZ TYR A 82 -3.809 9.270 -2.179 1.00 0.68 C ATOM 1272 OH TYR A 82 -4.273 10.370 -2.830 1.00 0.75 O ATOM 0 H TYR A 82 -3.306 5.886 2.756 1.00 0.54 H new ATOM 0 HA TYR A 82 -4.461 5.097 0.202 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -1.590 6.017 0.566 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -2.101 5.005 -0.770 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -3.643 5.871 -2.505 1.00 1.86 H new ATOM 0 HD2 TYR A 82 -2.166 8.362 0.680 1.00 1.59 H new ATOM 0 HE1 TYR A 82 -4.437 7.885 -3.720 1.00 1.89 H new ATOM 0 HE2 TYR A 82 -3.063 10.375 -0.472 1.00 1.59 H new ATOM 0 HH TYR A 82 -4.086 11.170 -2.295 1.00 0.75 H new ATOM 1282 N HIS A 83 -3.453 2.766 0.517 1.00 0.49 N ATOM 1283 CA HIS A 83 -3.024 1.395 0.779 1.00 0.47 C ATOM 1284 C HIS A 83 -3.105 0.568 -0.503 1.00 0.43 C ATOM 1285 O HIS A 83 -3.954 0.827 -1.359 1.00 0.48 O ATOM 1286 CB HIS A 83 -3.881 0.785 1.897 1.00 0.54 C ATOM 1287 CG HIS A 83 -5.357 0.786 1.612 1.00 0.52 C ATOM 1288 ND1 HIS A 83 -6.191 1.879 1.697 1.00 0.51 N ATOM 1289 CD2 HIS A 83 -6.099 -0.256 1.127 1.00 0.52 C ATOM 1290 CE1 HIS A 83 -7.396 1.519 1.238 1.00 0.51 C ATOM 1291 NE2 HIS A 83 -7.393 0.218 0.937 1.00 0.51 N ATOM 0 H HIS A 83 -4.024 2.856 -0.323 1.00 0.49 H new ATOM 0 HA HIS A 83 -1.986 1.395 1.112 1.00 0.47 H new ATOM 0 HB2 HIS A 83 -3.556 -0.241 2.070 1.00 0.54 H new ATOM 0 HB3 HIS A 83 -3.700 1.336 2.820 1.00 0.54 H new ATOM 0 HD2 HIS A 83 -5.747 -1.258 0.929 1.00 0.52 H new ATOM 0 HE1 HIS A 83 -8.242 2.181 1.128 1.00 0.51 H new ATOM 0 HE2 HIS A 83 -8.195 -0.329 0.624 1.00 0.51 H new ATOM 1299 N PHE A 84 -2.309 -0.490 -0.602 1.00 0.39 N ATOM 1300 CA PHE A 84 -2.616 -1.552 -1.552 1.00 0.39 C ATOM 1301 C PHE A 84 -3.736 -2.418 -0.964 1.00 0.38 C ATOM 1302 O PHE A 84 -3.724 -2.697 0.234 1.00 0.54 O ATOM 1303 CB PHE A 84 -1.369 -2.393 -1.808 1.00 0.44 C ATOM 1304 CG PHE A 84 -0.343 -1.664 -2.642 1.00 0.51 C ATOM 1305 CD1 PHE A 84 -0.526 -1.569 -4.032 1.00 1.64 C ATOM 1306 CD2 PHE A 84 0.767 -1.055 -2.029 1.00 1.76 C ATOM 1307 CE1 PHE A 84 0.426 -0.904 -4.820 1.00 1.67 C ATOM 1308 CE2 PHE A 84 1.719 -0.392 -2.817 1.00 1.83 C ATOM 1309 CZ PHE A 84 1.556 -0.336 -4.211 1.00 0.81 C ATOM 0 H PHE A 84 -1.464 -0.635 -0.049 1.00 0.39 H new ATOM 0 HA PHE A 84 -2.942 -1.128 -2.502 1.00 0.39 H new ATOM 0 HB2 PHE A 84 -0.923 -2.676 -0.854 1.00 0.44 H new ATOM 0 HB3 PHE A 84 -1.654 -3.316 -2.313 1.00 0.44 H new ATOM 0 HD1 PHE A 84 -1.399 -2.007 -4.493 1.00 1.64 H new ATOM 0 HD2 PHE A 84 0.886 -1.098 -0.956 1.00 1.76 H new ATOM 0 HE1 PHE A 84 0.290 -0.830 -5.889 1.00 1.67 H new ATOM 0 HE2 PHE A 84 2.575 0.074 -2.353 1.00 1.83 H new ATOM 0 HZ PHE A 84 2.306 0.148 -4.819 1.00 0.81 H new ATOM 1319 N MET A 85 -4.675 -2.873 -1.787 1.00 0.37 N ATOM 1320 CA MET A 85 -5.611 -3.956 -1.483 1.00 0.36 C ATOM 1321 C MET A 85 -5.025 -5.264 -2.019 1.00 0.38 C ATOM 1322 O MET A 85 -4.578 -5.305 -3.162 1.00 0.55 O ATOM 1323 CB MET A 85 -6.982 -3.662 -2.088 1.00 0.45 C ATOM 1324 CG MET A 85 -8.087 -4.201 -1.167 1.00 0.54 C ATOM 1325 SD MET A 85 -8.315 -3.220 0.349 1.00 0.72 S ATOM 1326 CE MET A 85 -9.206 -4.413 1.388 1.00 0.60 C ATOM 0 H MET A 85 -4.812 -2.485 -2.720 1.00 0.37 H new ATOM 0 HA MET A 85 -5.752 -4.044 -0.406 1.00 0.36 H new ATOM 0 HB2 MET A 85 -7.105 -2.588 -2.228 1.00 0.45 H new ATOM 0 HB3 MET A 85 -7.061 -4.122 -3.073 1.00 0.45 H new ATOM 0 HG2 MET A 85 -9.027 -4.227 -1.718 1.00 0.54 H new ATOM 0 HG3 MET A 85 -7.850 -5.229 -0.892 1.00 0.54 H new ATOM 0 HE1 MET A 85 -9.265 -4.034 2.408 1.00 0.60 H new ATOM 0 HE2 MET A 85 -10.213 -4.557 0.995 1.00 0.60 H new ATOM 0 HE3 MET A 85 -8.676 -5.365 1.385 1.00 0.60 H new ATOM 1336 N LEU A 86 -5.017 -6.316 -1.203 1.00 0.40 N ATOM 1337 CA LEU A 86 -4.524 -7.642 -1.571 1.00 0.47 C ATOM 1338 C LEU A 86 -5.728 -8.579 -1.687 1.00 0.48 C ATOM 1339 O LEU A 86 -6.359 -8.893 -0.679 1.00 0.55 O ATOM 1340 CB LEU A 86 -3.530 -8.134 -0.502 1.00 0.54 C ATOM 1341 CG LEU A 86 -2.084 -7.612 -0.635 1.00 0.64 C ATOM 1342 CD1 LEU A 86 -1.936 -6.113 -0.324 1.00 0.91 C ATOM 1343 CD2 LEU A 86 -1.187 -8.404 0.326 1.00 1.32 C ATOM 0 H LEU A 86 -5.362 -6.269 -0.244 1.00 0.40 H new ATOM 0 HA LEU A 86 -3.999 -7.615 -2.526 1.00 0.47 H new ATOM 0 HB2 LEU A 86 -3.910 -7.848 0.479 1.00 0.54 H new ATOM 0 HB3 LEU A 86 -3.506 -9.223 -0.530 1.00 0.54 H new ATOM 0 HG LEU A 86 -1.792 -7.749 -1.676 1.00 0.64 H new ATOM 0 HD11 LEU A 86 -0.893 -5.819 -0.438 1.00 0.91 H new ATOM 0 HD12 LEU A 86 -2.553 -5.536 -1.012 1.00 0.91 H new ATOM 0 HD13 LEU A 86 -2.257 -5.920 0.700 1.00 0.91 H new ATOM 0 HD21 LEU A 86 -0.161 -8.046 0.244 1.00 1.32 H new ATOM 0 HD22 LEU A 86 -1.538 -8.266 1.349 1.00 1.32 H new ATOM 0 HD23 LEU A 86 -1.224 -9.463 0.069 1.00 1.32 H new ATOM 1355 N LEU A 87 -6.067 -8.999 -2.905 1.00 0.54 N ATOM 1356 CA LEU A 87 -7.235 -9.828 -3.218 1.00 0.57 C ATOM 1357 C LEU A 87 -6.774 -11.250 -3.573 1.00 0.58 C ATOM 1358 O LEU A 87 -5.850 -11.436 -4.364 1.00 0.67 O ATOM 1359 CB LEU A 87 -8.008 -9.207 -4.411 1.00 0.65 C ATOM 1360 CG LEU A 87 -8.856 -7.934 -4.183 1.00 0.86 C ATOM 1361 CD1 LEU A 87 -10.057 -8.204 -3.271 1.00 1.75 C ATOM 1362 CD2 LEU A 87 -8.074 -6.746 -3.616 1.00 2.40 C ATOM 0 H LEU A 87 -5.518 -8.764 -3.732 1.00 0.54 H new ATOM 0 HA LEU A 87 -7.894 -9.872 -2.351 1.00 0.57 H new ATOM 0 HB2 LEU A 87 -7.281 -8.981 -5.191 1.00 0.65 H new ATOM 0 HB3 LEU A 87 -8.671 -9.976 -4.807 1.00 0.65 H new ATOM 0 HG LEU A 87 -9.192 -7.661 -5.183 1.00 0.86 H new ATOM 0 HD11 LEU A 87 -10.626 -7.284 -3.137 1.00 1.75 H new ATOM 0 HD12 LEU A 87 -10.695 -8.962 -3.725 1.00 1.75 H new ATOM 0 HD13 LEU A 87 -9.706 -8.558 -2.302 1.00 1.75 H new ATOM 0 HD21 LEU A 87 -8.745 -5.897 -3.488 1.00 2.40 H new ATOM 0 HD22 LEU A 87 -7.646 -7.019 -2.652 1.00 2.40 H new ATOM 0 HD23 LEU A 87 -7.274 -6.475 -4.305 1.00 2.40 H new ATOM 1374 N GLY A 88 -7.438 -12.266 -3.012 1.00 0.59 N ATOM 1375 CA GLY A 88 -7.176 -13.671 -3.347 1.00 0.66 C ATOM 1376 C GLY A 88 -5.824 -14.154 -2.824 1.00 0.77 C ATOM 1377 O GLY A 88 -4.988 -14.606 -3.597 1.00 1.65 O ATOM 0 H GLY A 88 -8.171 -12.139 -2.314 1.00 0.59 H new ATOM 0 HA2 GLY A 88 -7.967 -14.294 -2.930 1.00 0.66 H new ATOM 0 HA3 GLY A 88 -7.209 -13.796 -4.429 1.00 0.66 H new ATOM 1381 N LEU A 89 -5.590 -13.972 -1.522 1.00 0.51 N ATOM 1382 CA LEU A 89 -4.391 -14.386 -0.797 1.00 0.45 C ATOM 1383 C LEU A 89 -3.900 -15.793 -1.112 1.00 0.49 C ATOM 1384 O LEU A 89 -4.649 -16.699 -1.460 1.00 0.64 O ATOM 1385 CB LEU A 89 -4.571 -14.273 0.720 1.00 0.47 C ATOM 1386 CG LEU A 89 -5.260 -13.007 1.264 1.00 0.53 C ATOM 1387 CD1 LEU A 89 -5.166 -13.077 2.786 1.00 0.62 C ATOM 1388 CD2 LEU A 89 -4.631 -11.694 0.774 1.00 0.55 C ATOM 0 H LEU A 89 -6.267 -13.508 -0.916 1.00 0.51 H new ATOM 0 HA LEU A 89 -3.632 -13.688 -1.151 1.00 0.45 H new ATOM 0 HB2 LEU A 89 -5.143 -15.138 1.056 1.00 0.47 H new ATOM 0 HB3 LEU A 89 -3.586 -14.344 1.181 1.00 0.47 H new ATOM 0 HG LEU A 89 -6.287 -12.993 0.900 1.00 0.53 H new ATOM 0 HD11 LEU A 89 -5.642 -12.198 3.221 1.00 0.62 H new ATOM 0 HD12 LEU A 89 -5.670 -13.976 3.141 1.00 0.62 H new ATOM 0 HD13 LEU A 89 -4.118 -13.107 3.085 1.00 0.62 H new ATOM 0 HD21 LEU A 89 -5.172 -10.850 1.201 1.00 0.55 H new ATOM 0 HD22 LEU A 89 -3.588 -11.652 1.086 1.00 0.55 H new ATOM 0 HD23 LEU A 89 -4.686 -11.648 -0.314 1.00 0.55 H new ATOM 1400 N LYS A 90 -2.602 -15.961 -0.879 1.00 0.52 N ATOM 1401 CA LYS A 90 -1.893 -17.226 -1.092 1.00 0.60 C ATOM 1402 C LYS A 90 -1.496 -17.911 0.215 1.00 0.67 C ATOM 1403 O LYS A 90 -1.506 -19.136 0.307 1.00 0.79 O ATOM 1404 CB LYS A 90 -0.662 -16.997 -1.968 1.00 0.63 C ATOM 1405 CG LYS A 90 -0.897 -16.185 -3.257 1.00 0.70 C ATOM 1406 CD LYS A 90 -1.899 -16.886 -4.168 1.00 1.02 C ATOM 1407 CE LYS A 90 -1.871 -16.311 -5.589 1.00 1.04 C ATOM 1408 NZ LYS A 90 -2.601 -17.163 -6.559 1.00 1.58 N ATOM 0 H LYS A 90 -2.001 -15.214 -0.532 1.00 0.52 H new ATOM 0 HA LYS A 90 -2.585 -17.898 -1.600 1.00 0.60 H new ATOM 0 HB2 LYS A 90 0.094 -16.486 -1.372 1.00 0.63 H new ATOM 0 HB3 LYS A 90 -0.249 -17.968 -2.243 1.00 0.63 H new ATOM 0 HG2 LYS A 90 -1.264 -15.191 -3.003 1.00 0.70 H new ATOM 0 HG3 LYS A 90 0.048 -16.051 -3.784 1.00 0.70 H new ATOM 0 HD2 LYS A 90 -1.676 -17.952 -4.202 1.00 1.02 H new ATOM 0 HD3 LYS A 90 -2.902 -16.783 -3.753 1.00 1.02 H new ATOM 0 HE2 LYS A 90 -2.311 -15.314 -5.583 1.00 1.04 H new ATOM 0 HE3 LYS A 90 -0.836 -16.201 -5.913 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 -2.427 -16.818 -7.524 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 -2.269 -18.145 -6.477 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 -3.620 -17.125 -6.356 1.00 1.58 H new ATOM 1422 N ARG A 91 -1.191 -17.100 1.237 1.00 0.70 N ATOM 1423 CA ARG A 91 -1.120 -17.491 2.631 1.00 0.79 C ATOM 1424 C ARG A 91 -2.123 -16.641 3.432 1.00 0.78 C ATOM 1425 O ARG A 91 -2.171 -15.433 3.189 1.00 0.82 O ATOM 1426 CB ARG A 91 0.335 -17.353 3.115 1.00 0.99 C ATOM 1427 CG ARG A 91 0.771 -16.056 3.832 1.00 2.06 C ATOM 1428 CD ARG A 91 2.284 -16.083 4.112 1.00 2.76 C ATOM 1429 NE ARG A 91 2.736 -14.920 4.902 1.00 4.10 N ATOM 1430 CZ ARG A 91 3.833 -14.184 4.745 1.00 5.46 C ATOM 1431 NH1 ARG A 91 4.712 -14.359 3.780 1.00 6.06 N ATOM 1432 NH2 ARG A 91 4.053 -13.228 5.607 1.00 6.69 N ATOM 0 H ARG A 91 -0.980 -16.112 1.097 1.00 0.70 H new ATOM 0 HA ARG A 91 -1.400 -18.534 2.776 1.00 0.79 H new ATOM 0 HB2 ARG A 91 0.536 -18.185 3.790 1.00 0.99 H new ATOM 0 HB3 ARG A 91 0.983 -17.482 2.248 1.00 0.99 H new ATOM 0 HG2 ARG A 91 0.524 -15.191 3.216 1.00 2.06 H new ATOM 0 HG3 ARG A 91 0.223 -15.948 4.768 1.00 2.06 H new ATOM 0 HD2 ARG A 91 2.535 -17.000 4.646 1.00 2.76 H new ATOM 0 HD3 ARG A 91 2.825 -16.107 3.166 1.00 2.76 H new ATOM 0 HE ARG A 91 2.125 -14.644 5.671 1.00 4.10 H new ATOM 0 HH11 ARG A 91 4.573 -15.098 3.091 1.00 6.06 H new ATOM 0 HH12 ARG A 91 5.532 -13.755 3.721 1.00 6.06 H new ATOM 0 HH21 ARG A 91 3.394 -13.066 6.369 1.00 6.69 H new ATOM 0 HH22 ARG A 91 4.884 -12.643 5.519 1.00 6.69 H new ATOM 1446 N PRO A 92 -2.885 -17.216 4.381 1.00 0.91 N ATOM 1447 CA PRO A 92 -3.517 -16.437 5.437 1.00 1.02 C ATOM 1448 C PRO A 92 -2.388 -15.887 6.312 1.00 1.04 C ATOM 1449 O PRO A 92 -1.497 -16.648 6.690 1.00 1.33 O ATOM 1450 CB PRO A 92 -4.412 -17.427 6.189 1.00 1.22 C ATOM 1451 CG PRO A 92 -3.725 -18.778 5.988 1.00 1.25 C ATOM 1452 CD PRO A 92 -3.061 -18.645 4.617 1.00 1.08 C ATOM 0 HA PRO A 92 -4.118 -15.596 5.092 1.00 1.02 H new ATOM 0 HB2 PRO A 92 -4.488 -17.172 7.246 1.00 1.22 H new ATOM 0 HB3 PRO A 92 -5.426 -17.432 5.788 1.00 1.22 H new ATOM 0 HG2 PRO A 92 -2.992 -18.975 6.771 1.00 1.25 H new ATOM 0 HG3 PRO A 92 -4.442 -19.599 6.008 1.00 1.25 H new ATOM 0 HD2 PRO A 92 -2.102 -19.163 4.598 1.00 1.08 H new ATOM 0 HD3 PRO A 92 -3.681 -19.093 3.840 1.00 1.08 H new ATOM 1460 N LEU A 93 -2.397 -14.586 6.616 1.00 1.02 N ATOM 1461 CA LEU A 93 -1.305 -13.928 7.344 1.00 1.08 C ATOM 1462 C LEU A 93 -1.356 -14.265 8.848 1.00 1.34 C ATOM 1463 O LEU A 93 -2.328 -14.848 9.342 1.00 2.17 O ATOM 1464 CB LEU A 93 -1.343 -12.393 7.110 1.00 1.44 C ATOM 1465 CG LEU A 93 -1.066 -11.829 5.693 1.00 1.20 C ATOM 1466 CD1 LEU A 93 0.258 -12.317 5.095 1.00 2.08 C ATOM 1467 CD2 LEU A 93 -2.194 -12.078 4.683 1.00 1.30 C ATOM 0 H LEU A 93 -3.161 -13.958 6.365 1.00 1.02 H new ATOM 0 HA LEU A 93 -0.360 -14.307 6.956 1.00 1.08 H new ATOM 0 HB2 LEU A 93 -2.328 -12.041 7.415 1.00 1.44 H new ATOM 0 HB3 LEU A 93 -0.619 -11.941 7.788 1.00 1.44 H new ATOM 0 HG LEU A 93 -1.002 -10.754 5.864 1.00 1.20 H new ATOM 0 HD11 LEU A 93 0.390 -11.885 4.103 1.00 2.08 H new ATOM 0 HD12 LEU A 93 1.083 -12.009 5.738 1.00 2.08 H new ATOM 0 HD13 LEU A 93 0.244 -13.404 5.018 1.00 2.08 H new ATOM 0 HD21 LEU A 93 -1.919 -11.652 3.718 1.00 1.30 H new ATOM 0 HD22 LEU A 93 -2.354 -13.151 4.573 1.00 1.30 H new ATOM 0 HD23 LEU A 93 -3.111 -11.609 5.039 1.00 1.30 H new ATOM 1479 N LYS A 94 -0.324 -13.874 9.603 1.00 1.15 N ATOM 1480 CA LYS A 94 -0.462 -13.541 11.031 1.00 1.21 C ATOM 1481 C LYS A 94 -0.114 -12.072 11.256 1.00 1.14 C ATOM 1482 O LYS A 94 0.691 -11.494 10.533 1.00 1.76 O ATOM 1483 CB LYS A 94 0.426 -14.343 12.016 1.00 1.92 C ATOM 1484 CG LYS A 94 0.822 -15.793 11.758 1.00 2.11 C ATOM 1485 CD LYS A 94 -0.313 -16.732 11.337 1.00 1.83 C ATOM 1486 CE LYS A 94 -0.121 -17.122 9.868 1.00 2.82 C ATOM 1487 NZ LYS A 94 -1.397 -17.553 9.265 1.00 4.06 N ATOM 0 H LYS A 94 0.627 -13.779 9.247 1.00 1.15 H new ATOM 0 HA LYS A 94 -1.500 -13.795 11.247 1.00 1.21 H new ATOM 0 HB2 LYS A 94 1.353 -13.781 12.131 1.00 1.92 H new ATOM 0 HB3 LYS A 94 -0.080 -14.324 12.981 1.00 1.92 H new ATOM 0 HG2 LYS A 94 1.587 -15.808 10.981 1.00 2.11 H new ATOM 0 HG3 LYS A 94 1.280 -16.191 12.664 1.00 2.11 H new ATOM 0 HD2 LYS A 94 -0.317 -17.623 11.965 1.00 1.83 H new ATOM 0 HD3 LYS A 94 -1.277 -16.242 11.473 1.00 1.83 H new ATOM 0 HE2 LYS A 94 0.280 -16.274 9.312 1.00 2.82 H new ATOM 0 HE3 LYS A 94 0.611 -17.927 9.794 1.00 2.82 H new ATOM 0 HZ1 LYS A 94 -1.309 -17.551 8.229 1.00 4.06 H new ATOM 0 HZ2 LYS A 94 -1.628 -18.513 9.591 1.00 4.06 H new ATOM 0 HZ3 LYS A 94 -2.154 -16.899 9.550 1.00 4.06 H new ATOM 1501 N ALA A 95 -0.615 -11.526 12.356 1.00 1.12 N ATOM 1502 CA ALA A 95 -0.044 -10.326 12.948 1.00 1.38 C ATOM 1503 C ALA A 95 1.324 -10.717 13.524 1.00 1.53 C ATOM 1504 O ALA A 95 1.401 -11.681 14.286 1.00 1.69 O ATOM 1505 CB ALA A 95 -1.012 -9.802 14.012 1.00 1.60 C ATOM 0 H ALA A 95 -1.421 -11.899 12.858 1.00 1.12 H new ATOM 0 HA ALA A 95 0.101 -9.523 12.225 1.00 1.38 H new ATOM 0 HB1 ALA A 95 -0.600 -8.901 14.467 1.00 1.60 H new ATOM 0 HB2 ALA A 95 -1.970 -9.568 13.548 1.00 1.60 H new ATOM 0 HB3 ALA A 95 -1.156 -10.563 14.779 1.00 1.60 H new ATOM 1511 N GLY A 96 2.392 -10.041 13.103 1.00 1.58 N ATOM 1512 CA GLY A 96 3.777 -10.356 13.478 1.00 1.76 C ATOM 1513 C GLY A 96 4.581 -11.159 12.449 1.00 1.68 C ATOM 1514 O GLY A 96 5.686 -11.576 12.776 1.00 2.03 O ATOM 0 H GLY A 96 2.321 -9.239 12.477 1.00 1.58 H new ATOM 0 HA2 GLY A 96 4.302 -9.421 13.672 1.00 1.76 H new ATOM 0 HA3 GLY A 96 3.762 -10.913 14.415 1.00 1.76 H new ATOM 1518 N GLU A 97 4.064 -11.392 11.233 1.00 1.37 N ATOM 1519 CA GLU A 97 4.886 -11.863 10.103 1.00 1.31 C ATOM 1520 C GLU A 97 5.626 -10.686 9.423 1.00 1.22 C ATOM 1521 O GLU A 97 5.496 -9.536 9.834 1.00 1.19 O ATOM 1522 CB GLU A 97 4.016 -12.572 9.051 1.00 1.22 C ATOM 1523 CG GLU A 97 3.292 -13.849 9.491 1.00 1.33 C ATOM 1524 CD GLU A 97 2.469 -14.454 8.346 1.00 1.67 C ATOM 1525 OE1 GLU A 97 2.044 -13.694 7.449 1.00 3.01 O ATOM 1526 OE2 GLU A 97 2.219 -15.676 8.339 1.00 1.88 O ATOM 0 H GLU A 97 3.078 -11.262 11.005 1.00 1.37 H new ATOM 0 HA GLU A 97 5.616 -12.564 10.507 1.00 1.31 H new ATOM 0 HB2 GLU A 97 3.267 -11.863 8.698 1.00 1.22 H new ATOM 0 HB3 GLU A 97 4.649 -12.818 8.199 1.00 1.22 H new ATOM 0 HG2 GLU A 97 4.021 -14.579 9.841 1.00 1.33 H new ATOM 0 HG3 GLU A 97 2.636 -13.625 10.332 1.00 1.33 H new ATOM 1533 N GLU A 98 6.314 -10.960 8.315 1.00 1.21 N ATOM 1534 CA GLU A 98 6.856 -10.025 7.353 1.00 1.15 C ATOM 1535 C GLU A 98 6.405 -10.517 5.975 1.00 1.15 C ATOM 1536 O GLU A 98 6.401 -11.714 5.682 1.00 1.27 O ATOM 1537 CB GLU A 98 8.385 -9.968 7.423 1.00 1.22 C ATOM 1538 CG GLU A 98 8.888 -9.248 8.674 1.00 2.33 C ATOM 1539 CD GLU A 98 10.384 -8.974 8.558 1.00 2.56 C ATOM 1540 OE1 GLU A 98 10.712 -7.922 7.966 1.00 3.68 O ATOM 1541 OE2 GLU A 98 11.161 -9.828 9.032 1.00 2.66 O ATOM 0 H GLU A 98 6.519 -11.924 8.054 1.00 1.21 H new ATOM 0 HA GLU A 98 6.499 -9.016 7.558 1.00 1.15 H new ATOM 0 HB2 GLU A 98 8.784 -10.982 7.406 1.00 1.22 H new ATOM 0 HB3 GLU A 98 8.767 -9.460 6.537 1.00 1.22 H new ATOM 0 HG2 GLU A 98 8.348 -8.310 8.805 1.00 2.33 H new ATOM 0 HG3 GLU A 98 8.689 -9.856 9.557 1.00 2.33 H new ATOM 1548 N VAL A 99 5.954 -9.590 5.154 1.00 1.13 N ATOM 1549 CA VAL A 99 5.475 -9.789 3.773 1.00 1.12 C ATOM 1550 C VAL A 99 6.345 -8.984 2.813 1.00 0.80 C ATOM 1551 O VAL A 99 6.745 -7.865 3.117 1.00 0.76 O ATOM 1552 CB VAL A 99 4.007 -9.337 3.624 1.00 1.39 C ATOM 1553 CG1 VAL A 99 3.493 -9.301 2.175 1.00 1.70 C ATOM 1554 CG2 VAL A 99 3.067 -10.251 4.430 1.00 1.60 C ATOM 0 H VAL A 99 5.903 -8.611 5.437 1.00 1.13 H new ATOM 0 HA VAL A 99 5.537 -10.852 3.539 1.00 1.12 H new ATOM 0 HB VAL A 99 4.000 -8.316 4.005 1.00 1.39 H new ATOM 0 HG11 VAL A 99 2.454 -8.973 2.166 1.00 1.70 H new ATOM 0 HG12 VAL A 99 4.098 -8.607 1.591 1.00 1.70 H new ATOM 0 HG13 VAL A 99 3.562 -10.298 1.739 1.00 1.70 H new ATOM 0 HG21 VAL A 99 2.038 -9.912 4.309 1.00 1.60 H new ATOM 0 HG22 VAL A 99 3.157 -11.275 4.068 1.00 1.60 H new ATOM 0 HG23 VAL A 99 3.340 -10.214 5.485 1.00 1.60 H new ATOM 1564 N GLU A 100 6.570 -9.536 1.622 1.00 0.77 N ATOM 1565 CA GLU A 100 7.225 -8.825 0.524 1.00 0.64 C ATOM 1566 C GLU A 100 6.191 -8.079 -0.324 1.00 0.68 C ATOM 1567 O GLU A 100 5.192 -8.681 -0.740 1.00 0.75 O ATOM 1568 CB GLU A 100 7.997 -9.771 -0.409 1.00 0.96 C ATOM 1569 CG GLU A 100 9.042 -10.655 0.278 1.00 1.44 C ATOM 1570 CD GLU A 100 10.149 -10.998 -0.717 1.00 1.58 C ATOM 1571 OE1 GLU A 100 9.909 -11.738 -1.697 1.00 1.89 O ATOM 1572 OE2 GLU A 100 11.259 -10.441 -0.592 1.00 2.62 O ATOM 0 H GLU A 100 6.302 -10.493 1.390 1.00 0.77 H new ATOM 0 HA GLU A 100 7.926 -8.131 0.988 1.00 0.64 H new ATOM 0 HB2 GLU A 100 7.281 -10.414 -0.922 1.00 0.96 H new ATOM 0 HB3 GLU A 100 8.495 -9.175 -1.174 1.00 0.96 H new ATOM 0 HG2 GLU A 100 9.461 -10.138 1.141 1.00 1.44 H new ATOM 0 HG3 GLU A 100 8.575 -11.568 0.649 1.00 1.44 H new ATOM 1579 N LEU A 101 6.485 -6.814 -0.650 1.00 0.71 N ATOM 1580 CA LEU A 101 5.941 -6.149 -1.831 1.00 0.59 C ATOM 1581 C LEU A 101 7.072 -5.787 -2.801 1.00 0.47 C ATOM 1582 O LEU A 101 8.074 -5.163 -2.442 1.00 0.58 O ATOM 1583 CB LEU A 101 5.117 -4.892 -1.469 1.00 0.72 C ATOM 1584 CG LEU A 101 3.589 -5.105 -1.493 1.00 0.93 C ATOM 1585 CD1 LEU A 101 3.062 -5.898 -0.289 1.00 1.29 C ATOM 1586 CD2 LEU A 101 2.865 -3.754 -1.532 1.00 1.98 C ATOM 0 H LEU A 101 7.109 -6.225 -0.098 1.00 0.71 H new ATOM 0 HA LEU A 101 5.260 -6.849 -2.315 1.00 0.59 H new ATOM 0 HB2 LEU A 101 5.409 -4.554 -0.475 1.00 0.72 H new ATOM 0 HB3 LEU A 101 5.371 -4.092 -2.165 1.00 0.72 H new ATOM 0 HG LEU A 101 3.386 -5.688 -2.391 1.00 0.93 H new ATOM 0 HD11 LEU A 101 1.981 -6.010 -0.372 1.00 1.29 H new ATOM 0 HD12 LEU A 101 3.528 -6.883 -0.270 1.00 1.29 H new ATOM 0 HD13 LEU A 101 3.302 -5.365 0.631 1.00 1.29 H new ATOM 0 HD21 LEU A 101 1.788 -3.919 -1.549 1.00 1.98 H new ATOM 0 HD22 LEU A 101 3.130 -3.174 -0.648 1.00 1.98 H new ATOM 0 HD23 LEU A 101 3.162 -3.208 -2.427 1.00 1.98 H new ATOM 1598 N ASP A 102 6.837 -6.125 -4.061 1.00 0.51 N ATOM 1599 CA ASP A 102 7.471 -5.554 -5.244 1.00 0.55 C ATOM 1600 C ASP A 102 6.743 -4.256 -5.628 1.00 0.55 C ATOM 1601 O ASP A 102 5.525 -4.158 -5.484 1.00 0.72 O ATOM 1602 CB ASP A 102 7.377 -6.550 -6.405 1.00 0.72 C ATOM 1603 CG ASP A 102 7.839 -7.988 -6.137 1.00 1.13 C ATOM 1604 OD1 ASP A 102 8.746 -8.244 -5.316 1.00 2.10 O ATOM 1605 OD2 ASP A 102 7.256 -8.870 -6.809 1.00 1.84 O ATOM 0 H ASP A 102 6.159 -6.848 -4.300 1.00 0.51 H new ATOM 0 HA ASP A 102 8.519 -5.341 -5.032 1.00 0.55 H new ATOM 0 HB2 ASP A 102 6.339 -6.585 -6.736 1.00 0.72 H new ATOM 0 HB3 ASP A 102 7.963 -6.157 -7.235 1.00 0.72 H new ATOM 1610 N LEU A 103 7.464 -3.255 -6.136 1.00 0.70 N ATOM 1611 CA LEU A 103 6.951 -1.926 -6.472 1.00 0.69 C ATOM 1612 C LEU A 103 7.098 -1.674 -7.976 1.00 0.64 C ATOM 1613 O LEU A 103 8.211 -1.724 -8.507 1.00 0.72 O ATOM 1614 CB LEU A 103 7.726 -0.832 -5.714 1.00 0.81 C ATOM 1615 CG LEU A 103 7.642 -0.826 -4.173 1.00 1.07 C ATOM 1616 CD1 LEU A 103 8.497 -1.919 -3.522 1.00 1.52 C ATOM 1617 CD2 LEU A 103 8.139 0.538 -3.678 1.00 1.23 C ATOM 0 H LEU A 103 8.460 -3.352 -6.332 1.00 0.70 H new ATOM 0 HA LEU A 103 5.900 -1.889 -6.184 1.00 0.69 H new ATOM 0 HB2 LEU A 103 8.777 -0.913 -5.992 1.00 0.81 H new ATOM 0 HB3 LEU A 103 7.375 0.136 -6.072 1.00 0.81 H new ATOM 0 HG LEU A 103 6.605 -1.017 -3.895 1.00 1.07 H new ATOM 0 HD11 LEU A 103 8.396 -1.863 -2.438 1.00 1.52 H new ATOM 0 HD12 LEU A 103 8.162 -2.897 -3.868 1.00 1.52 H new ATOM 0 HD13 LEU A 103 9.542 -1.775 -3.797 1.00 1.52 H new ATOM 0 HD21 LEU A 103 8.090 0.570 -2.590 1.00 1.23 H new ATOM 0 HD22 LEU A 103 9.170 0.688 -4.000 1.00 1.23 H new ATOM 0 HD23 LEU A 103 7.511 1.326 -4.093 1.00 1.23 H new ATOM 1629 N LEU A 104 5.989 -1.369 -8.658 1.00 0.55 N ATOM 1630 CA LEU A 104 5.934 -1.177 -10.109 1.00 0.54 C ATOM 1631 C LEU A 104 5.854 0.326 -10.434 1.00 0.55 C ATOM 1632 O LEU A 104 4.862 1.001 -10.114 1.00 0.51 O ATOM 1633 CB LEU A 104 4.713 -1.938 -10.665 1.00 0.48 C ATOM 1634 CG LEU A 104 4.771 -3.487 -10.719 1.00 0.77 C ATOM 1635 CD1 LEU A 104 5.321 -3.936 -12.081 1.00 2.40 C ATOM 1636 CD2 LEU A 104 5.566 -4.209 -9.618 1.00 1.11 C ATOM 0 H LEU A 104 5.084 -1.246 -8.204 1.00 0.55 H new ATOM 0 HA LEU A 104 6.836 -1.570 -10.578 1.00 0.54 H new ATOM 0 HB2 LEU A 104 3.847 -1.659 -10.065 1.00 0.48 H new ATOM 0 HB3 LEU A 104 4.530 -1.577 -11.677 1.00 0.48 H new ATOM 0 HG LEU A 104 3.735 -3.780 -10.551 1.00 0.77 H new ATOM 0 HD11 LEU A 104 5.361 -5.025 -12.116 1.00 2.40 H new ATOM 0 HD12 LEU A 104 4.669 -3.571 -12.875 1.00 2.40 H new ATOM 0 HD13 LEU A 104 6.324 -3.532 -12.220 1.00 2.40 H new ATOM 0 HD21 LEU A 104 5.520 -5.286 -9.782 1.00 1.11 H new ATOM 0 HD22 LEU A 104 6.605 -3.882 -9.646 1.00 1.11 H new ATOM 0 HD23 LEU A 104 5.137 -3.972 -8.644 1.00 1.11 H new ATOM 1648 N PHE A 105 6.893 0.845 -11.089 1.00 0.67 N ATOM 1649 CA PHE A 105 7.050 2.256 -11.441 1.00 0.72 C ATOM 1650 C PHE A 105 6.981 2.475 -12.959 1.00 0.74 C ATOM 1651 O PHE A 105 7.450 1.662 -13.760 1.00 0.94 O ATOM 1652 CB PHE A 105 8.387 2.769 -10.886 1.00 0.75 C ATOM 1653 CG PHE A 105 8.502 2.788 -9.374 1.00 0.73 C ATOM 1654 CD1 PHE A 105 7.971 3.869 -8.644 1.00 1.74 C ATOM 1655 CD2 PHE A 105 9.178 1.758 -8.696 1.00 2.05 C ATOM 1656 CE1 PHE A 105 8.106 3.917 -7.250 1.00 1.78 C ATOM 1657 CE2 PHE A 105 9.328 1.816 -7.298 1.00 2.02 C ATOM 1658 CZ PHE A 105 8.791 2.891 -6.574 1.00 0.76 C ATOM 0 H PHE A 105 7.678 0.272 -11.400 1.00 0.67 H new ATOM 0 HA PHE A 105 6.226 2.816 -10.998 1.00 0.72 H new ATOM 0 HB2 PHE A 105 9.189 2.148 -11.286 1.00 0.75 H new ATOM 0 HB3 PHE A 105 8.551 3.780 -11.258 1.00 0.75 H new ATOM 0 HD1 PHE A 105 7.457 4.665 -9.161 1.00 1.74 H new ATOM 0 HD2 PHE A 105 9.582 0.922 -9.248 1.00 2.05 H new ATOM 0 HE1 PHE A 105 7.684 4.742 -6.695 1.00 1.78 H new ATOM 0 HE2 PHE A 105 9.858 1.030 -6.781 1.00 2.02 H new ATOM 0 HZ PHE A 105 8.903 2.931 -5.501 1.00 0.76 H new ATOM 1668 N ALA A 106 6.421 3.619 -13.365 1.00 0.72 N ATOM 1669 CA ALA A 106 6.344 4.029 -14.766 1.00 0.78 C ATOM 1670 C ALA A 106 7.741 4.242 -15.391 1.00 1.53 C ATOM 1671 O ALA A 106 8.701 4.600 -14.706 1.00 2.22 O ATOM 1672 CB ALA A 106 5.473 5.288 -14.875 1.00 1.20 C ATOM 0 H ALA A 106 6.005 4.292 -12.721 1.00 0.72 H new ATOM 0 HA ALA A 106 5.882 3.225 -15.339 1.00 0.78 H new ATOM 0 HB1 ALA A 106 5.412 5.599 -15.918 1.00 1.20 H new ATOM 0 HB2 ALA A 106 4.472 5.071 -14.501 1.00 1.20 H new ATOM 0 HB3 ALA A 106 5.916 6.089 -14.283 1.00 1.20 H new ATOM 1678 N GLY A 107 7.847 4.043 -16.711 1.00 2.57 N ATOM 1679 CA GLY A 107 9.093 4.263 -17.458 1.00 3.62 C ATOM 1680 C GLY A 107 10.106 3.124 -17.308 1.00 3.27 C ATOM 1681 O GLY A 107 11.306 3.393 -17.273 1.00 4.34 O ATOM 0 H GLY A 107 7.071 3.725 -17.292 1.00 2.57 H new ATOM 0 HA2 GLY A 107 8.856 4.391 -18.514 1.00 3.62 H new ATOM 0 HA3 GLY A 107 9.551 5.192 -17.119 1.00 3.62 H new ATOM 1685 N GLY A 108 9.628 1.879 -17.180 1.00 1.96 N ATOM 1686 CA GLY A 108 10.453 0.661 -17.198 1.00 1.79 C ATOM 1687 C GLY A 108 11.252 0.436 -15.913 1.00 1.59 C ATOM 1688 O GLY A 108 12.459 0.214 -15.980 1.00 2.07 O ATOM 0 H GLY A 108 8.634 1.685 -17.058 1.00 1.96 H new ATOM 0 HA2 GLY A 108 9.808 -0.201 -17.369 1.00 1.79 H new ATOM 0 HA3 GLY A 108 11.144 0.714 -18.039 1.00 1.79 H new ATOM 1692 N LYS A 109 10.614 0.559 -14.741 1.00 1.06 N ATOM 1693 CA LYS A 109 11.289 0.553 -13.433 1.00 0.93 C ATOM 1694 C LYS A 109 10.570 -0.361 -12.424 1.00 0.87 C ATOM 1695 O LYS A 109 9.359 -0.263 -12.249 1.00 0.99 O ATOM 1696 CB LYS A 109 11.361 2.009 -12.938 1.00 0.98 C ATOM 1697 CG LYS A 109 12.477 2.776 -13.658 1.00 1.26 C ATOM 1698 CD LYS A 109 12.259 4.291 -13.613 1.00 1.57 C ATOM 1699 CE LYS A 109 13.359 5.010 -14.403 1.00 2.25 C ATOM 1700 NZ LYS A 109 13.318 4.684 -15.853 1.00 3.54 N ATOM 0 H LYS A 109 9.602 0.667 -14.672 1.00 1.06 H new ATOM 0 HA LYS A 109 12.295 0.145 -13.534 1.00 0.93 H new ATOM 0 HB2 LYS A 109 10.405 2.504 -13.110 1.00 0.98 H new ATOM 0 HB3 LYS A 109 11.539 2.024 -11.863 1.00 0.98 H new ATOM 0 HG2 LYS A 109 13.436 2.535 -13.199 1.00 1.26 H new ATOM 0 HG3 LYS A 109 12.529 2.449 -14.696 1.00 1.26 H new ATOM 0 HD2 LYS A 109 11.282 4.537 -14.030 1.00 1.57 H new ATOM 0 HD3 LYS A 109 12.260 4.635 -12.579 1.00 1.57 H new ATOM 0 HE2 LYS A 109 13.252 6.087 -14.272 1.00 2.25 H new ATOM 0 HE3 LYS A 109 14.333 4.734 -13.998 1.00 2.25 H new ATOM 0 HZ1 LYS A 109 14.112 4.055 -16.090 1.00 3.54 H new ATOM 0 HZ2 LYS A 109 12.421 4.208 -16.077 1.00 3.54 H new ATOM 0 HZ3 LYS A 109 13.393 5.560 -16.408 1.00 3.54 H new ATOM 1714 N VAL A 110 11.326 -1.218 -11.738 1.00 0.90 N ATOM 1715 CA VAL A 110 10.817 -2.150 -10.714 1.00 0.87 C ATOM 1716 C VAL A 110 11.822 -2.221 -9.554 1.00 0.87 C ATOM 1717 O VAL A 110 13.018 -2.020 -9.762 1.00 0.96 O ATOM 1718 CB VAL A 110 10.520 -3.564 -11.291 1.00 0.95 C ATOM 1719 CG1 VAL A 110 9.940 -4.544 -10.254 1.00 1.47 C ATOM 1720 CG2 VAL A 110 9.543 -3.501 -12.480 1.00 2.26 C ATOM 0 H VAL A 110 12.334 -1.291 -11.877 1.00 0.90 H new ATOM 0 HA VAL A 110 9.864 -1.769 -10.348 1.00 0.87 H new ATOM 0 HB VAL A 110 11.492 -3.936 -11.614 1.00 0.95 H new ATOM 0 HG11 VAL A 110 9.758 -5.509 -10.727 1.00 1.47 H new ATOM 0 HG12 VAL A 110 10.649 -4.669 -9.435 1.00 1.47 H new ATOM 0 HG13 VAL A 110 9.002 -4.148 -9.864 1.00 1.47 H new ATOM 0 HG21 VAL A 110 9.361 -4.508 -12.855 1.00 2.26 H new ATOM 0 HG22 VAL A 110 8.601 -3.059 -12.154 1.00 2.26 H new ATOM 0 HG23 VAL A 110 9.975 -2.891 -13.274 1.00 2.26 H new ATOM 1730 N LEU A 111 11.308 -2.484 -8.351 1.00 0.86 N ATOM 1731 CA LEU A 111 12.029 -2.621 -7.079 1.00 0.85 C ATOM 1732 C LEU A 111 11.260 -3.617 -6.183 1.00 0.96 C ATOM 1733 O LEU A 111 10.127 -3.961 -6.506 1.00 1.74 O ATOM 1734 CB LEU A 111 12.115 -1.200 -6.474 1.00 0.84 C ATOM 1735 CG LEU A 111 12.854 -1.020 -5.136 1.00 1.03 C ATOM 1736 CD1 LEU A 111 14.307 -1.512 -5.208 1.00 2.18 C ATOM 1737 CD2 LEU A 111 12.821 0.465 -4.752 1.00 1.60 C ATOM 0 H LEU A 111 10.304 -2.617 -8.229 1.00 0.86 H new ATOM 0 HA LEU A 111 13.038 -3.018 -7.192 1.00 0.85 H new ATOM 0 HB2 LEU A 111 12.596 -0.554 -7.209 1.00 0.84 H new ATOM 0 HB3 LEU A 111 11.097 -0.832 -6.344 1.00 0.84 H new ATOM 0 HG LEU A 111 12.350 -1.622 -4.380 1.00 1.03 H new ATOM 0 HD11 LEU A 111 14.789 -1.365 -4.242 1.00 2.18 H new ATOM 0 HD12 LEU A 111 14.320 -2.572 -5.463 1.00 2.18 H new ATOM 0 HD13 LEU A 111 14.844 -0.949 -5.971 1.00 2.18 H new ATOM 0 HD21 LEU A 111 13.341 0.608 -3.805 1.00 1.60 H new ATOM 0 HD22 LEU A 111 13.312 1.052 -5.528 1.00 1.60 H new ATOM 0 HD23 LEU A 111 11.786 0.792 -4.650 1.00 1.60 H new ATOM 1749 N LYS A 112 11.812 -4.048 -5.042 1.00 0.67 N ATOM 1750 CA LYS A 112 11.021 -4.687 -3.972 1.00 0.76 C ATOM 1751 C LYS A 112 11.535 -4.356 -2.565 1.00 0.78 C ATOM 1752 O LYS A 112 12.708 -4.021 -2.410 1.00 1.00 O ATOM 1753 CB LYS A 112 10.865 -6.202 -4.197 1.00 1.12 C ATOM 1754 CG LYS A 112 12.049 -7.099 -3.805 1.00 1.51 C ATOM 1755 CD LYS A 112 11.580 -8.563 -3.803 1.00 1.40 C ATOM 1756 CE LYS A 112 12.692 -9.516 -3.360 1.00 1.96 C ATOM 1757 NZ LYS A 112 12.150 -10.874 -3.113 1.00 2.23 N ATOM 0 H LYS A 112 12.807 -3.967 -4.832 1.00 0.67 H new ATOM 0 HA LYS A 112 10.023 -4.252 -4.032 1.00 0.76 H new ATOM 0 HB2 LYS A 112 9.990 -6.537 -3.641 1.00 1.12 H new ATOM 0 HB3 LYS A 112 10.653 -6.366 -5.254 1.00 1.12 H new ATOM 0 HG2 LYS A 112 12.872 -6.967 -4.508 1.00 1.51 H new ATOM 0 HG3 LYS A 112 12.424 -6.821 -2.820 1.00 1.51 H new ATOM 0 HD2 LYS A 112 10.724 -8.669 -3.137 1.00 1.40 H new ATOM 0 HD3 LYS A 112 11.243 -8.838 -4.802 1.00 1.40 H new ATOM 0 HE2 LYS A 112 13.466 -9.562 -4.126 1.00 1.96 H new ATOM 0 HE3 LYS A 112 13.163 -9.137 -2.453 1.00 1.96 H new ATOM 0 HZ1 LYS A 112 12.139 -11.063 -2.090 1.00 2.23 H new ATOM 0 HZ2 LYS A 112 11.181 -10.934 -3.486 1.00 2.23 H new ATOM 0 HZ3 LYS A 112 12.749 -11.579 -3.589 1.00 2.23 H new ATOM 1771 N VAL A 113 10.668 -4.462 -1.552 1.00 0.71 N ATOM 1772 CA VAL A 113 10.992 -4.253 -0.124 1.00 0.85 C ATOM 1773 C VAL A 113 10.141 -5.205 0.737 1.00 0.71 C ATOM 1774 O VAL A 113 9.124 -5.720 0.277 1.00 0.84 O ATOM 1775 CB VAL A 113 10.803 -2.774 0.334 1.00 1.26 C ATOM 1776 CG1 VAL A 113 11.598 -2.475 1.620 1.00 1.99 C ATOM 1777 CG2 VAL A 113 11.251 -1.718 -0.699 1.00 2.21 C ATOM 0 H VAL A 113 9.688 -4.703 -1.701 1.00 0.71 H new ATOM 0 HA VAL A 113 12.050 -4.477 0.010 1.00 0.85 H new ATOM 0 HB VAL A 113 9.726 -2.693 0.483 1.00 1.26 H new ATOM 0 HG11 VAL A 113 11.443 -1.436 1.910 1.00 1.99 H new ATOM 0 HG12 VAL A 113 11.255 -3.130 2.421 1.00 1.99 H new ATOM 0 HG13 VAL A 113 12.659 -2.647 1.440 1.00 1.99 H new ATOM 0 HG21 VAL A 113 11.083 -0.720 -0.295 1.00 2.21 H new ATOM 0 HG22 VAL A 113 12.311 -1.848 -0.916 1.00 2.21 H new ATOM 0 HG23 VAL A 113 10.676 -1.840 -1.617 1.00 2.21 H new ATOM 1787 N VAL A 114 10.564 -5.435 1.980 1.00 0.77 N ATOM 1788 CA VAL A 114 9.910 -6.316 2.957 1.00 0.73 C ATOM 1789 C VAL A 114 9.350 -5.459 4.097 1.00 0.73 C ATOM 1790 O VAL A 114 10.016 -4.526 4.547 1.00 0.88 O ATOM 1791 CB VAL A 114 10.896 -7.372 3.510 1.00 0.94 C ATOM 1792 CG1 VAL A 114 10.148 -8.416 4.348 1.00 1.88 C ATOM 1793 CG2 VAL A 114 11.663 -8.087 2.381 1.00 1.70 C ATOM 0 H VAL A 114 11.406 -4.996 2.352 1.00 0.77 H new ATOM 0 HA VAL A 114 9.100 -6.854 2.464 1.00 0.73 H new ATOM 0 HB VAL A 114 11.616 -6.842 4.134 1.00 0.94 H new ATOM 0 HG11 VAL A 114 10.856 -9.152 4.730 1.00 1.88 H new ATOM 0 HG12 VAL A 114 9.651 -7.923 5.184 1.00 1.88 H new ATOM 0 HG13 VAL A 114 9.405 -8.916 3.727 1.00 1.88 H new ATOM 0 HG21 VAL A 114 12.345 -8.820 2.812 1.00 1.70 H new ATOM 0 HG22 VAL A 114 10.955 -8.592 1.723 1.00 1.70 H new ATOM 0 HG23 VAL A 114 12.232 -7.355 1.808 1.00 1.70 H new ATOM 1803 N LEU A 115 8.124 -5.747 4.542 1.00 0.82 N ATOM 1804 CA LEU A 115 7.377 -4.981 5.550 1.00 0.96 C ATOM 1805 C LEU A 115 6.715 -5.940 6.564 1.00 0.99 C ATOM 1806 O LEU A 115 6.207 -6.988 6.142 1.00 1.03 O ATOM 1807 CB LEU A 115 6.329 -4.049 4.910 1.00 1.24 C ATOM 1808 CG LEU A 115 5.376 -4.627 3.849 1.00 1.18 C ATOM 1809 CD1 LEU A 115 4.114 -3.752 3.781 1.00 2.26 C ATOM 1810 CD2 LEU A 115 6.028 -4.630 2.459 1.00 1.78 C ATOM 0 H LEU A 115 7.601 -6.552 4.198 1.00 0.82 H new ATOM 0 HA LEU A 115 8.088 -4.344 6.077 1.00 0.96 H new ATOM 0 HB2 LEU A 115 5.718 -3.637 5.714 1.00 1.24 H new ATOM 0 HB3 LEU A 115 6.863 -3.214 4.455 1.00 1.24 H new ATOM 0 HG LEU A 115 5.134 -5.651 4.132 1.00 1.18 H new ATOM 0 HD11 LEU A 115 3.432 -4.154 3.031 1.00 2.26 H new ATOM 0 HD12 LEU A 115 3.622 -3.747 4.754 1.00 2.26 H new ATOM 0 HD13 LEU A 115 4.392 -2.733 3.510 1.00 2.26 H new ATOM 0 HD21 LEU A 115 5.330 -5.044 1.731 1.00 1.78 H new ATOM 0 HD22 LEU A 115 6.285 -3.609 2.176 1.00 1.78 H new ATOM 0 HD23 LEU A 115 6.932 -5.239 2.482 1.00 1.78 H new ATOM 1822 N PRO A 116 6.660 -5.591 7.863 1.00 1.02 N ATOM 1823 CA PRO A 116 5.974 -6.393 8.865 1.00 1.07 C ATOM 1824 C PRO A 116 4.464 -6.456 8.619 1.00 1.01 C ATOM 1825 O PRO A 116 3.858 -5.558 8.043 1.00 1.02 O ATOM 1826 CB PRO A 116 6.304 -5.758 10.220 1.00 1.21 C ATOM 1827 CG PRO A 116 6.611 -4.305 9.863 1.00 1.19 C ATOM 1828 CD PRO A 116 7.275 -4.431 8.494 1.00 1.08 C ATOM 0 HA PRO A 116 6.310 -7.429 8.826 1.00 1.07 H new ATOM 0 HB2 PRO A 116 5.467 -5.833 10.914 1.00 1.21 H new ATOM 0 HB3 PRO A 116 7.156 -6.244 10.695 1.00 1.21 H new ATOM 0 HG2 PRO A 116 5.706 -3.698 9.820 1.00 1.19 H new ATOM 0 HG3 PRO A 116 7.273 -3.839 10.593 1.00 1.19 H new ATOM 0 HD2 PRO A 116 7.118 -3.532 7.898 1.00 1.08 H new ATOM 0 HD3 PRO A 116 8.352 -4.564 8.592 1.00 1.08 H new ATOM 1836 N VAL A 117 3.836 -7.517 9.101 1.00 1.01 N ATOM 1837 CA VAL A 117 2.404 -7.551 9.399 1.00 1.05 C ATOM 1838 C VAL A 117 2.227 -7.190 10.878 1.00 1.15 C ATOM 1839 O VAL A 117 2.992 -7.651 11.721 1.00 1.33 O ATOM 1840 CB VAL A 117 1.789 -8.940 9.109 1.00 1.07 C ATOM 1841 CG1 VAL A 117 0.250 -8.852 9.118 1.00 1.19 C ATOM 1842 CG2 VAL A 117 2.235 -9.568 7.777 1.00 0.96 C ATOM 0 H VAL A 117 4.312 -8.397 9.301 1.00 1.01 H new ATOM 0 HA VAL A 117 1.885 -6.838 8.759 1.00 1.05 H new ATOM 0 HB VAL A 117 2.157 -9.588 9.905 1.00 1.07 H new ATOM 0 HG11 VAL A 117 -0.172 -9.836 8.913 1.00 1.19 H new ATOM 0 HG12 VAL A 117 -0.089 -8.509 10.095 1.00 1.19 H new ATOM 0 HG13 VAL A 117 -0.079 -8.149 8.352 1.00 1.19 H new ATOM 0 HG21 VAL A 117 1.756 -10.540 7.655 1.00 0.96 H new ATOM 0 HG22 VAL A 117 1.947 -8.915 6.953 1.00 0.96 H new ATOM 0 HG23 VAL A 117 3.318 -9.695 7.779 1.00 0.96 H new ATOM 1852 N GLU A 118 1.207 -6.392 11.191 1.00 1.17 N ATOM 1853 CA GLU A 118 0.813 -6.025 12.557 1.00 1.20 C ATOM 1854 C GLU A 118 -0.656 -6.401 12.797 1.00 1.22 C ATOM 1855 O GLU A 118 -1.305 -6.970 11.920 1.00 1.78 O ATOM 1856 CB GLU A 118 1.056 -4.523 12.805 1.00 1.54 C ATOM 1857 CG GLU A 118 2.552 -4.172 12.741 1.00 1.99 C ATOM 1858 CD GLU A 118 2.873 -2.701 13.021 1.00 3.20 C ATOM 1859 OE1 GLU A 118 2.087 -2.061 13.754 1.00 3.68 O ATOM 1860 OE2 GLU A 118 3.928 -2.256 12.522 1.00 4.29 O ATOM 0 H GLU A 118 0.611 -5.968 10.480 1.00 1.17 H new ATOM 0 HA GLU A 118 1.427 -6.580 13.266 1.00 1.20 H new ATOM 0 HB2 GLU A 118 0.513 -3.939 12.062 1.00 1.54 H new ATOM 0 HB3 GLU A 118 0.658 -4.246 13.781 1.00 1.54 H new ATOM 0 HG2 GLU A 118 3.088 -4.791 13.460 1.00 1.99 H new ATOM 0 HG3 GLU A 118 2.931 -4.431 11.752 1.00 1.99 H new