USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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 67 CYS SG : rot -175:sc= 0.99 USER MOD Set 1.2: A 83 THR OG1 : rot 134:sc= 1.22 USER MOD Set 1.3: A 93 HIS : no HD1:sc= -0.0302 X(o=2.2,f=1.8) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -120:sc= 0.759 (180deg=-0.0228) USER MOD Set 2.2: A 85 ASN :FLIP amide:sc= -1.35 F(o=-3.8,f=-0.59) USER MOD Single : A 17 GLN : amide:sc= 0.0344 X(o=0.034,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.914 K(o=-0.91,f=-4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 135:sc= 0.454 USER MOD Single : A 40 TYR OH : rot -132:sc= 0.521 USER MOD Single : A 41 HIS : no HE2:sc= -0.0171 X(o=-0.017,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 46 GLN : amide:sc= -0.137 K(o=-0.14,f=-1) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 57 ASN : amide:sc= -4.96! C(o=-5!,f=-5.1!) USER MOD Single : A 65 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.69) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -40:sc= 0.326 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -154:sc= -0.179 (180deg=-1.13) USER MOD Single : A 113 ASN : amide:sc= -0.944 K(o=-0.94,f=-2.1) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -14:sc= 0.725 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.653 6.199 9.055 1.00 0.00 N ATOM 67 CA LEU A 8 -1.054 4.889 8.555 1.00 0.00 C ATOM 68 C LEU A 8 -2.232 5.010 7.594 1.00 0.00 C ATOM 69 O LEU A 8 -3.200 5.721 7.868 1.00 0.00 O ATOM 70 CB LEU A 8 -1.424 3.969 9.720 1.00 0.00 C ATOM 71 CG LEU A 8 -1.781 2.528 9.350 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.541 1.768 8.906 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.447 1.826 10.524 1.00 0.00 C ATOM 0 HA LEU A 8 -0.211 4.460 8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.588 3.947 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.270 4.408 10.249 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.485 2.550 8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.814 0.745 8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.106 2.259 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.187 1.754 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.694 0.802 10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.766 1.814 11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.359 2.358 10.796 1.00 0.00 H new ATOM 85 N VAL A 9 -2.145 4.310 6.468 1.00 0.00 N ATOM 86 CA VAL A 9 -3.205 4.336 5.467 1.00 0.00 C ATOM 87 C VAL A 9 -4.172 3.173 5.660 1.00 0.00 C ATOM 88 O VAL A 9 -5.358 3.376 5.921 1.00 0.00 O ATOM 89 CB VAL A 9 -2.630 4.280 4.039 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.751 4.312 3.011 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.654 5.424 3.813 1.00 0.00 C ATOM 0 H VAL A 9 -1.351 3.717 6.226 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.741 5.276 5.598 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.088 3.342 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.326 4.272 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.407 3.455 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.324 5.232 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.257 5.369 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.170 6.375 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.834 5.350 4.528 1.00 0.00 H new ATOM 101 N ARG A 10 -3.657 1.955 5.531 1.00 0.00 N ATOM 102 CA ARG A 10 -4.475 0.759 5.691 1.00 0.00 C ATOM 103 C ARG A 10 -3.898 -0.155 6.768 1.00 0.00 C ATOM 104 O ARG A 10 -2.696 -0.138 7.033 1.00 0.00 O ATOM 105 CB ARG A 10 -4.575 0.003 4.365 1.00 0.00 C ATOM 106 CG ARG A 10 -5.744 -0.967 4.303 1.00 0.00 C ATOM 107 CD ARG A 10 -7.021 -0.272 3.855 1.00 0.00 C ATOM 108 NE ARG A 10 -7.640 0.487 4.938 1.00 0.00 N ATOM 109 CZ ARG A 10 -8.581 1.405 4.747 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.008 1.676 3.522 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.097 2.053 5.783 1.00 0.00 N ATOM 0 H ARG A 10 -2.677 1.770 5.316 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.473 1.070 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.668 0.723 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.649 -0.547 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.509 -1.778 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.898 -1.416 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.797 0.398 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.727 -1.015 3.484 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.333 0.302 5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.614 1.179 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.731 2.381 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.771 1.847 6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.819 2.758 5.635 1.00 0.00 H new ATOM 125 N GLY A 11 -4.763 -0.953 7.386 1.00 0.00 N ATOM 126 CA GLY A 11 -4.320 -1.862 8.427 1.00 0.00 C ATOM 127 C GLY A 11 -5.239 -3.058 8.582 1.00 0.00 C ATOM 128 O GLY A 11 -6.335 -2.942 9.129 1.00 0.00 O ATOM 0 H GLY A 11 -5.762 -0.986 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.313 -2.209 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.264 -1.325 9.374 1.00 0.00 H new ATOM 132 N GLY A 12 -4.792 -4.213 8.096 1.00 0.00 N ATOM 133 CA GLY A 12 -5.595 -5.418 8.191 1.00 0.00 C ATOM 134 C GLY A 12 -4.779 -6.677 7.975 1.00 0.00 C ATOM 135 O GLY A 12 -3.719 -6.637 7.351 1.00 0.00 O ATOM 0 H GLY A 12 -3.889 -4.335 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.068 -5.459 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.396 -5.377 7.453 1.00 0.00 H new ATOM 139 N TRP A 13 -5.273 -7.796 8.493 1.00 0.00 N ATOM 140 CA TRP A 13 -4.580 -9.072 8.355 1.00 0.00 C ATOM 141 C TRP A 13 -4.823 -9.676 6.976 1.00 0.00 C ATOM 142 O TRP A 13 -5.953 -9.701 6.488 1.00 0.00 O ATOM 143 CB TRP A 13 -5.042 -10.046 9.440 1.00 0.00 C ATOM 144 CG TRP A 13 -4.545 -9.690 10.808 1.00 0.00 C ATOM 145 CD1 TRP A 13 -4.973 -8.656 11.592 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.525 -10.365 11.552 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.280 -8.648 12.779 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.387 -9.687 12.780 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.717 -11.477 11.303 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.473 -10.086 13.751 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.810 -11.871 12.268 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.694 -11.178 13.480 1.00 0.00 C ATOM 0 H TRP A 13 -6.150 -7.846 9.012 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.511 -8.892 8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.132 -10.074 9.453 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.700 -11.050 9.187 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.743 -7.949 11.319 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.410 -7.977 13.536 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.800 -12.019 10.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.382 -9.552 14.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.179 -12.728 12.085 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.976 -11.512 14.214 1.00 0.00 H new ATOM 163 N LEU A 14 -3.755 -10.161 6.352 1.00 0.00 N ATOM 164 CA LEU A 14 -3.852 -10.766 5.028 1.00 0.00 C ATOM 165 C LEU A 14 -3.020 -12.042 4.949 1.00 0.00 C ATOM 166 O LEU A 14 -1.929 -12.119 5.515 1.00 0.00 O ATOM 167 CB LEU A 14 -3.390 -9.775 3.958 1.00 0.00 C ATOM 168 CG LEU A 14 -4.292 -8.562 3.732 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.590 -7.528 2.865 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.608 -8.987 3.097 1.00 0.00 C ATOM 0 H LEU A 14 -2.812 -10.147 6.741 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.896 -11.024 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.396 -9.418 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.292 -10.310 3.014 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.507 -8.109 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.248 -6.672 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.675 -7.201 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.344 -7.970 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.238 -8.111 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.411 -9.465 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.119 -9.690 3.755 1.00 0.00 H new ATOM 182 N TRP A 15 -3.540 -13.039 4.243 1.00 0.00 N ATOM 183 CA TRP A 15 -2.844 -14.311 4.089 1.00 0.00 C ATOM 184 C TRP A 15 -1.683 -14.181 3.109 1.00 0.00 C ATOM 185 O TRP A 15 -1.879 -13.842 1.942 1.00 0.00 O ATOM 186 CB TRP A 15 -3.814 -15.392 3.609 1.00 0.00 C ATOM 187 CG TRP A 15 -4.758 -15.859 4.675 1.00 0.00 C ATOM 188 CD1 TRP A 15 -6.102 -15.624 4.740 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.429 -16.639 5.830 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.628 -16.211 5.866 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.622 -16.841 6.550 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.243 -17.189 6.324 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.661 -17.567 7.738 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.282 -17.909 7.502 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.485 -18.094 8.198 1.00 0.00 C ATOM 0 H TRP A 15 -4.441 -12.991 3.768 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.444 -14.598 5.061 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.390 -15.006 2.768 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.243 -16.244 3.240 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.668 -15.060 4.014 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.608 -16.182 6.147 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.312 -17.053 5.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.586 -17.709 8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.371 -18.337 7.893 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.483 -18.664 9.115 1.00 0.00 H new ATOM 206 N ARG A 16 -0.474 -14.452 3.591 1.00 0.00 N ATOM 207 CA ARG A 16 0.718 -14.364 2.757 1.00 0.00 C ATOM 208 C ARG A 16 1.275 -15.752 2.456 1.00 0.00 C ATOM 209 O ARG A 16 1.281 -16.629 3.319 1.00 0.00 O ATOM 210 CB ARG A 16 1.787 -13.513 3.446 1.00 0.00 C ATOM 211 CG ARG A 16 3.164 -13.636 2.814 1.00 0.00 C ATOM 212 CD ARG A 16 4.236 -13.009 3.691 1.00 0.00 C ATOM 213 NE ARG A 16 5.507 -12.868 2.985 1.00 0.00 N ATOM 214 CZ ARG A 16 6.362 -13.869 2.804 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.083 -15.077 3.273 1.00 0.00 N ATOM 216 NH2 ARG A 16 7.498 -13.662 2.150 1.00 0.00 N ATOM 0 H ARG A 16 -0.295 -14.734 4.555 1.00 0.00 H new ATOM 0 HA ARG A 16 0.438 -13.892 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.478 -12.468 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.851 -13.804 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.397 -14.688 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.162 -13.152 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.899 -12.030 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.381 -13.622 4.580 1.00 0.00 H new ATOM 0 HE ARG A 16 5.752 -11.951 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.210 -15.240 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.741 -15.843 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.715 -12.734 1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.154 -14.431 2.011 1.00 0.00 H new ATOM 230 N GLN A 17 1.740 -15.943 1.226 1.00 0.00 N ATOM 231 CA GLN A 17 2.297 -17.225 0.811 1.00 0.00 C ATOM 232 C GLN A 17 3.819 -17.159 0.736 1.00 0.00 C ATOM 233 O GLN A 17 4.390 -16.112 0.429 1.00 0.00 O ATOM 234 CB GLN A 17 1.726 -17.638 -0.547 1.00 0.00 C ATOM 235 CG GLN A 17 1.663 -19.144 -0.747 1.00 0.00 C ATOM 236 CD GLN A 17 1.441 -19.531 -2.196 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.338 -19.399 -3.030 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.242 -20.011 -2.504 1.00 0.00 N ATOM 0 H GLN A 17 1.742 -15.227 0.500 1.00 0.00 H new ATOM 0 HA GLN A 17 2.020 -17.971 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.723 -17.224 -0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.336 -17.200 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.591 -19.593 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.858 -19.554 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.472 -20.103 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.034 -20.287 -3.464 1.00 0.00 H new ATOM 331 N ARG A 23 3.086 -21.733 1.538 1.00 0.00 N ATOM 332 CA ARG A 23 2.029 -21.949 2.519 1.00 0.00 C ATOM 333 C ARG A 23 1.451 -20.620 2.996 1.00 0.00 C ATOM 334 O ARG A 23 2.188 -19.667 3.249 1.00 0.00 O ATOM 335 CB ARG A 23 2.566 -22.742 3.713 1.00 0.00 C ATOM 336 CG ARG A 23 2.446 -24.248 3.547 1.00 0.00 C ATOM 337 CD ARG A 23 3.101 -24.989 4.702 1.00 0.00 C ATOM 338 NE ARG A 23 3.144 -26.431 4.472 1.00 0.00 N ATOM 339 CZ ARG A 23 3.540 -27.309 5.387 1.00 0.00 C ATOM 340 NH1 ARG A 23 3.926 -26.894 6.586 1.00 0.00 N ATOM 341 NH2 ARG A 23 3.552 -28.605 5.103 1.00 0.00 N ATOM 0 HA ARG A 23 1.234 -22.521 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.614 -22.484 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.027 -22.440 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.394 -24.526 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.911 -24.550 2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.114 -24.614 4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.553 -24.785 5.622 1.00 0.00 H new ATOM 0 HE ARG A 23 2.854 -26.783 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.919 -25.898 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.230 -27.570 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.257 -28.928 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.856 -29.278 5.806 1.00 0.00 H new ATOM 355 N TRP A 24 0.130 -20.565 3.116 1.00 0.00 N ATOM 356 CA TRP A 24 -0.547 -19.352 3.563 1.00 0.00 C ATOM 357 C TRP A 24 -0.396 -19.167 5.068 1.00 0.00 C ATOM 358 O TRP A 24 -0.620 -20.097 5.844 1.00 0.00 O ATOM 359 CB TRP A 24 -2.029 -19.404 3.188 1.00 0.00 C ATOM 360 CG TRP A 24 -2.266 -19.461 1.709 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.653 -20.551 0.983 1.00 0.00 C ATOM 362 CD2 TRP A 24 -2.130 -18.383 0.777 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.766 -20.215 -0.345 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.451 -18.891 -0.497 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.771 -17.037 0.895 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.422 -18.100 -1.642 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.742 -16.254 -0.243 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.066 -16.786 -1.498 1.00 0.00 C ATOM 0 H TRP A 24 -0.494 -21.345 2.910 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.083 -18.501 3.064 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.484 -20.277 3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.531 -18.526 3.596 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.842 -21.532 1.392 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.040 -20.849 -1.096 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.521 -16.617 1.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.672 -18.509 -2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.465 -15.213 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.034 -16.147 -2.368 1.00 0.00 H new ATOM 379 N LYS A 25 -0.016 -17.962 5.477 1.00 0.00 N ATOM 380 CA LYS A 25 0.164 -17.654 6.891 1.00 0.00 C ATOM 381 C LYS A 25 -0.380 -16.267 7.219 1.00 0.00 C ATOM 382 O LYS A 25 -0.229 -15.330 6.435 1.00 0.00 O ATOM 383 CB LYS A 25 1.645 -17.736 7.268 1.00 0.00 C ATOM 384 CG LYS A 25 2.505 -16.686 6.587 1.00 0.00 C ATOM 385 CD LYS A 25 3.974 -17.071 6.605 1.00 0.00 C ATOM 386 CE LYS A 25 4.276 -18.167 5.595 1.00 0.00 C ATOM 387 NZ LYS A 25 5.652 -18.711 5.761 1.00 0.00 N ATOM 0 H LYS A 25 0.174 -17.181 4.849 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.393 -18.390 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.743 -17.629 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.023 -18.726 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.175 -16.556 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.373 -15.726 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.584 -16.194 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.250 -17.409 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.551 -18.973 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.161 -17.772 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.819 -19.455 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.345 -17.947 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.754 -19.111 6.716 1.00 0.00 H new ATOM 401 N ARG A 26 -1.010 -16.143 8.382 1.00 0.00 N ATOM 402 CA ARG A 26 -1.575 -14.870 8.814 1.00 0.00 C ATOM 403 C ARG A 26 -0.474 -13.842 9.057 1.00 0.00 C ATOM 404 O ARG A 26 0.521 -14.128 9.720 1.00 0.00 O ATOM 405 CB ARG A 26 -2.401 -15.060 10.087 1.00 0.00 C ATOM 406 CG ARG A 26 -3.864 -15.377 9.822 1.00 0.00 C ATOM 407 CD ARG A 26 -4.458 -16.231 10.931 1.00 0.00 C ATOM 408 NE ARG A 26 -4.999 -15.419 12.018 1.00 0.00 N ATOM 409 CZ ARG A 26 -5.454 -15.926 13.158 1.00 0.00 C ATOM 410 NH1 ARG A 26 -5.434 -17.236 13.360 1.00 0.00 N ATOM 411 NH2 ARG A 26 -5.931 -15.121 14.100 1.00 0.00 N ATOM 0 H ARG A 26 -1.142 -16.909 9.043 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.224 -14.501 8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.964 -15.866 10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.338 -14.154 10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.429 -14.449 9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.958 -15.899 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.248 -16.860 10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.691 -16.899 11.324 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.029 -14.407 11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.068 -17.858 12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.784 -17.622 14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.948 -14.112 13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.280 -15.511 14.975 1.00 0.00 H new ATOM 425 N ASN A 27 -0.662 -12.643 8.514 1.00 0.00 N ATOM 426 CA ASN A 27 0.316 -11.572 8.672 1.00 0.00 C ATOM 427 C ASN A 27 -0.377 -10.220 8.819 1.00 0.00 C ATOM 428 O ASN A 27 -1.511 -10.042 8.375 1.00 0.00 O ATOM 429 CB ASN A 27 1.268 -11.542 7.474 1.00 0.00 C ATOM 430 CG ASN A 27 2.424 -12.510 7.631 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.543 -13.480 6.882 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.285 -12.250 8.608 1.00 0.00 N ATOM 0 H ASN A 27 -1.481 -12.389 7.962 1.00 0.00 H new ATOM 0 HA ASN A 27 0.889 -11.767 9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.714 -11.785 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.658 -10.532 7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.084 -12.866 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.148 -11.435 9.205 1.00 0.00 H new ATOM 439 N TRP A 28 0.313 -9.273 9.444 1.00 0.00 N ATOM 440 CA TRP A 28 -0.236 -7.937 9.649 1.00 0.00 C ATOM 441 C TRP A 28 0.445 -6.923 8.736 1.00 0.00 C ATOM 442 O TRP A 28 1.581 -6.517 8.982 1.00 0.00 O ATOM 443 CB TRP A 28 -0.074 -7.516 11.110 1.00 0.00 C ATOM 444 CG TRP A 28 -0.056 -6.030 11.301 1.00 0.00 C ATOM 445 CD1 TRP A 28 1.046 -5.228 11.391 1.00 0.00 C ATOM 446 CD2 TRP A 28 -1.193 -5.168 11.429 1.00 0.00 C ATOM 447 NE1 TRP A 28 0.663 -3.920 11.566 1.00 0.00 N ATOM 448 CE2 TRP A 28 -0.705 -3.857 11.592 1.00 0.00 C ATOM 449 CE3 TRP A 28 -2.574 -5.376 11.418 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -1.551 -2.762 11.744 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -3.413 -4.289 11.570 1.00 0.00 C ATOM 452 CH2 TRP A 28 -2.900 -2.995 11.731 1.00 0.00 C ATOM 0 H TRP A 28 1.253 -9.405 9.817 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.297 -7.965 9.402 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.889 -7.941 11.696 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.852 -7.937 11.501 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.068 -5.571 11.333 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.295 -3.125 11.661 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.979 -6.369 11.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.157 -1.764 11.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.483 -4.439 11.565 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.582 -2.166 11.847 1.00 0.00 H new ATOM 463 N PHE A 29 -0.256 -6.518 7.682 1.00 0.00 N ATOM 464 CA PHE A 29 0.282 -5.551 6.732 1.00 0.00 C ATOM 465 C PHE A 29 -0.270 -4.155 7.005 1.00 0.00 C ATOM 466 O PHE A 29 -1.450 -3.993 7.318 1.00 0.00 O ATOM 467 CB PHE A 29 -0.051 -5.973 5.300 1.00 0.00 C ATOM 468 CG PHE A 29 0.822 -7.081 4.783 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.638 -8.384 5.215 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.827 -6.818 3.865 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.439 -9.406 4.741 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.630 -7.836 3.387 1.00 0.00 C ATOM 473 CZ PHE A 29 2.437 -9.131 3.827 1.00 0.00 C ATOM 0 H PHE A 29 -1.198 -6.844 7.464 1.00 0.00 H new ATOM 0 HA PHE A 29 1.365 -5.524 6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.093 -6.292 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.046 -5.109 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.140 -8.604 5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.984 -5.807 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.285 -10.418 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.408 -7.619 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.066 -9.927 3.457 1.00 0.00 H new ATOM 483 N ALA A 30 0.591 -3.150 6.885 1.00 0.00 N ATOM 484 CA ALA A 30 0.190 -1.768 7.117 1.00 0.00 C ATOM 485 C ALA A 30 0.973 -0.812 6.224 1.00 0.00 C ATOM 486 O ALA A 30 2.201 -0.885 6.145 1.00 0.00 O ATOM 487 CB ALA A 30 0.380 -1.402 8.581 1.00 0.00 C ATOM 0 H ALA A 30 1.571 -3.267 6.628 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.866 -1.675 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.077 -0.367 8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.230 -2.058 9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.429 -1.518 8.852 1.00 0.00 H new ATOM 493 N LEU A 31 0.258 0.083 5.552 1.00 0.00 N ATOM 494 CA LEU A 31 0.886 1.054 4.664 1.00 0.00 C ATOM 495 C LEU A 31 1.122 2.378 5.384 1.00 0.00 C ATOM 496 O LEU A 31 0.304 2.807 6.198 1.00 0.00 O ATOM 497 CB LEU A 31 0.016 1.281 3.426 1.00 0.00 C ATOM 498 CG LEU A 31 0.394 2.476 2.550 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.655 2.178 1.756 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.753 2.837 1.618 1.00 0.00 C ATOM 0 H LEU A 31 -0.758 0.156 5.605 1.00 0.00 H new ATOM 0 HA LEU A 31 1.851 0.654 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.050 0.381 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.017 1.406 3.750 1.00 0.00 H new ATOM 0 HG LEU A 31 0.592 3.330 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.908 3.040 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.476 1.969 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.486 1.311 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.467 3.689 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.982 1.986 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.633 3.094 2.207 1.00 0.00 H new ATOM 512 N TRP A 32 2.242 3.021 5.076 1.00 0.00 N ATOM 513 CA TRP A 32 2.584 4.298 5.693 1.00 0.00 C ATOM 514 C TRP A 32 2.566 5.422 4.662 1.00 0.00 C ATOM 515 O TRP A 32 2.818 5.196 3.478 1.00 0.00 O ATOM 516 CB TRP A 32 3.962 4.217 6.352 1.00 0.00 C ATOM 517 CG TRP A 32 4.088 3.087 7.328 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.851 1.963 7.186 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.429 2.970 8.594 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.706 1.154 8.288 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.840 1.750 9.166 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.534 3.778 9.300 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.385 1.321 10.410 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.083 3.350 10.535 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.509 2.132 11.080 1.00 0.00 C ATOM 0 H TRP A 32 2.929 2.680 4.403 1.00 0.00 H new ATOM 0 HA TRP A 32 1.837 4.517 6.456 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.721 4.105 5.578 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.167 5.156 6.866 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.476 1.742 6.333 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.168 0.256 8.429 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.201 4.719 8.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.712 0.382 10.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.390 3.966 11.089 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.139 1.827 12.048 1.00 0.00 H new ATOM 536 N LEU A 33 2.266 6.633 5.120 1.00 0.00 N ATOM 537 CA LEU A 33 2.215 7.793 4.237 1.00 0.00 C ATOM 538 C LEU A 33 3.551 7.999 3.530 1.00 0.00 C ATOM 539 O LEU A 33 3.595 8.429 2.377 1.00 0.00 O ATOM 540 CB LEU A 33 1.847 9.047 5.031 1.00 0.00 C ATOM 541 CG LEU A 33 0.462 9.049 5.680 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.107 10.459 5.720 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.478 8.113 4.933 1.00 0.00 C ATOM 0 H LEU A 33 2.055 6.837 6.097 1.00 0.00 H new ATOM 0 HA LEU A 33 1.450 7.610 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.593 9.189 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.915 9.907 4.365 1.00 0.00 H new ATOM 0 HG LEU A 33 0.561 8.691 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.093 10.441 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.555 11.102 6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.192 10.846 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.459 8.127 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.572 8.441 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.077 7.100 4.957 1.00 0.00 H new ATOM 555 N ASP A 34 4.637 7.687 4.228 1.00 0.00 N ATOM 556 CA ASP A 34 5.975 7.834 3.666 1.00 0.00 C ATOM 557 C ASP A 34 6.074 7.144 2.309 1.00 0.00 C ATOM 558 O ASP A 34 6.928 7.481 1.491 1.00 0.00 O ATOM 559 CB ASP A 34 7.019 7.257 4.623 1.00 0.00 C ATOM 560 CG ASP A 34 6.700 7.553 6.075 1.00 0.00 C ATOM 561 OD1 ASP A 34 5.719 6.981 6.594 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.430 8.356 6.693 1.00 0.00 O ATOM 0 H ASP A 34 4.618 7.331 5.184 1.00 0.00 H new ATOM 0 HA ASP A 34 6.169 8.898 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.081 6.178 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.998 7.668 4.378 1.00 0.00 H new ATOM 567 N GLY A 35 5.194 6.175 2.078 1.00 0.00 N ATOM 568 CA GLY A 35 5.199 5.452 0.820 1.00 0.00 C ATOM 569 C GLY A 35 5.900 4.112 0.925 1.00 0.00 C ATOM 570 O GLY A 35 6.567 3.675 -0.014 1.00 0.00 O ATOM 0 H GLY A 35 4.477 5.878 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.172 5.297 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.691 6.057 0.058 1.00 0.00 H new ATOM 574 N THR A 36 5.752 3.456 2.072 1.00 0.00 N ATOM 575 CA THR A 36 6.378 2.159 2.298 1.00 0.00 C ATOM 576 C THR A 36 5.364 1.140 2.805 1.00 0.00 C ATOM 577 O THR A 36 4.328 1.504 3.363 1.00 0.00 O ATOM 578 CB THR A 36 7.535 2.263 3.309 1.00 0.00 C ATOM 579 OG1 THR A 36 7.074 2.872 4.521 1.00 0.00 O ATOM 580 CG2 THR A 36 8.686 3.074 2.734 1.00 0.00 C ATOM 0 H THR A 36 5.204 3.802 2.859 1.00 0.00 H new ATOM 0 HA THR A 36 6.773 1.827 1.338 1.00 0.00 H new ATOM 0 HB THR A 36 7.893 1.256 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.815 2.933 5.159 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.491 3.133 3.467 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.054 2.592 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.339 4.079 2.494 1.00 0.00 H new ATOM 588 N LEU A 37 5.669 -0.138 2.609 1.00 0.00 N ATOM 589 CA LEU A 37 4.784 -1.211 3.048 1.00 0.00 C ATOM 590 C LEU A 37 5.516 -2.176 3.975 1.00 0.00 C ATOM 591 O LEU A 37 6.478 -2.829 3.573 1.00 0.00 O ATOM 592 CB LEU A 37 4.229 -1.968 1.840 1.00 0.00 C ATOM 593 CG LEU A 37 2.926 -2.735 2.068 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.769 -1.771 2.279 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.642 -3.664 0.897 1.00 0.00 C ATOM 0 H LEU A 37 6.522 -0.456 2.149 1.00 0.00 H new ATOM 0 HA LEU A 37 3.957 -0.763 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.070 -1.255 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.987 -2.673 1.499 1.00 0.00 H new ATOM 0 HG LEU A 37 3.036 -3.340 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.850 -2.335 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.969 -1.148 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.657 -1.138 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.711 -4.202 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.552 -3.079 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.459 -4.378 0.793 1.00 0.00 H new ATOM 607 N GLY A 38 5.052 -2.263 5.218 1.00 0.00 N ATOM 608 CA GLY A 38 5.673 -3.152 6.181 1.00 0.00 C ATOM 609 C GLY A 38 4.708 -4.191 6.718 1.00 0.00 C ATOM 610 O GLY A 38 3.550 -3.884 7.001 1.00 0.00 O ATOM 0 H GLY A 38 4.257 -1.733 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.520 -3.654 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.069 -2.565 7.010 1.00 0.00 H new ATOM 614 N TYR A 39 5.185 -5.423 6.858 1.00 0.00 N ATOM 615 CA TYR A 39 4.355 -6.511 7.360 1.00 0.00 C ATOM 616 C TYR A 39 4.990 -7.159 8.586 1.00 0.00 C ATOM 617 O TYR A 39 6.114 -7.660 8.526 1.00 0.00 O ATOM 618 CB TYR A 39 4.138 -7.561 6.269 1.00 0.00 C ATOM 619 CG TYR A 39 5.423 -8.150 5.732 1.00 0.00 C ATOM 620 CD1 TYR A 39 6.121 -7.524 4.706 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.939 -9.332 6.249 1.00 0.00 C ATOM 622 CE1 TYR A 39 7.295 -8.058 4.211 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.113 -9.873 5.761 1.00 0.00 C ATOM 624 CZ TYR A 39 7.787 -9.232 4.742 1.00 0.00 C ATOM 625 OH TYR A 39 8.956 -9.769 4.253 1.00 0.00 O ATOM 0 H TYR A 39 6.142 -5.693 6.631 1.00 0.00 H new ATOM 0 HA TYR A 39 3.391 -6.094 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.519 -8.364 6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.584 -7.109 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.739 -6.604 4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.413 -9.837 7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.824 -7.559 3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.501 -10.792 6.175 1.00 0.00 H new ATOM 0 HH TYR A 39 9.522 -10.056 5.000 1.00 0.00 H new ATOM 635 N TYR A 40 4.262 -7.147 9.697 1.00 0.00 N ATOM 636 CA TYR A 40 4.754 -7.731 10.940 1.00 0.00 C ATOM 637 C TYR A 40 4.060 -9.059 11.229 1.00 0.00 C ATOM 638 O TYR A 40 3.128 -9.452 10.527 1.00 0.00 O ATOM 639 CB TYR A 40 4.535 -6.764 12.104 1.00 0.00 C ATOM 640 CG TYR A 40 5.120 -5.390 11.869 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.606 -4.554 10.884 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.187 -4.928 12.629 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.138 -3.298 10.665 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.724 -3.673 12.417 1.00 0.00 C ATOM 645 CZ TYR A 40 6.196 -2.862 11.434 1.00 0.00 C ATOM 646 OH TYR A 40 6.729 -1.612 11.219 1.00 0.00 O ATOM 0 H TYR A 40 3.329 -6.739 9.763 1.00 0.00 H new ATOM 0 HA TYR A 40 5.822 -7.917 10.827 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.465 -6.667 12.288 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.977 -7.188 13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.777 -4.892 10.280 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.604 -5.561 13.399 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.727 -2.661 9.896 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.553 -3.329 13.018 1.00 0.00 H new ATOM 0 HH TYR A 40 7.705 -1.678 11.160 1.00 0.00 H new ATOM 656 N HIS A 41 4.521 -9.746 12.269 1.00 0.00 N ATOM 657 CA HIS A 41 3.945 -11.029 12.654 1.00 0.00 C ATOM 658 C HIS A 41 2.671 -10.830 13.469 1.00 0.00 C ATOM 659 O HIS A 41 1.669 -11.511 13.249 1.00 0.00 O ATOM 660 CB HIS A 41 4.957 -11.846 13.458 1.00 0.00 C ATOM 661 CG HIS A 41 6.255 -12.065 12.743 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.533 -13.206 12.020 1.00 0.00 N ATOM 663 CD2 HIS A 41 7.352 -11.279 12.640 1.00 0.00 C ATOM 664 CE1 HIS A 41 7.746 -13.114 11.506 1.00 0.00 C ATOM 665 NE2 HIS A 41 8.264 -11.954 11.866 1.00 0.00 N ATOM 0 H HIS A 41 5.292 -9.436 12.860 1.00 0.00 H new ATOM 0 HA HIS A 41 3.692 -11.573 11.744 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.153 -11.338 14.402 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.518 -12.814 13.702 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.901 -13.997 11.901 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.485 -10.303 13.084 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.232 -13.861 10.895 1.00 0.00 H new ATOM 674 N ASP A 42 2.718 -9.895 14.411 1.00 0.00 N ATOM 675 CA ASP A 42 1.567 -9.606 15.260 1.00 0.00 C ATOM 676 C ASP A 42 1.079 -8.177 15.046 1.00 0.00 C ATOM 677 O ASP A 42 1.638 -7.435 14.239 1.00 0.00 O ATOM 678 CB ASP A 42 1.924 -9.822 16.731 1.00 0.00 C ATOM 679 CG ASP A 42 3.365 -9.460 17.036 1.00 0.00 C ATOM 680 OD1 ASP A 42 3.932 -8.620 16.307 1.00 0.00 O ATOM 681 OD2 ASP A 42 3.925 -10.017 18.003 1.00 0.00 O ATOM 0 H ASP A 42 3.540 -9.324 14.607 1.00 0.00 H new ATOM 0 HA ASP A 42 0.764 -10.290 14.986 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.262 -9.222 17.355 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.751 -10.865 16.995 1.00 0.00 H new ATOM 686 N GLU A 43 0.033 -7.799 15.774 1.00 0.00 N ATOM 687 CA GLU A 43 -0.531 -6.458 15.661 1.00 0.00 C ATOM 688 C GLU A 43 0.432 -5.415 16.221 1.00 0.00 C ATOM 689 O GLU A 43 0.613 -4.344 15.639 1.00 0.00 O ATOM 690 CB GLU A 43 -1.869 -6.381 16.398 1.00 0.00 C ATOM 691 CG GLU A 43 -2.749 -5.229 15.943 1.00 0.00 C ATOM 692 CD GLU A 43 -4.221 -5.479 16.205 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.642 -6.654 16.148 1.00 0.00 O ATOM 694 OE2 GLU A 43 -4.952 -4.502 16.468 1.00 0.00 O ATOM 0 H GLU A 43 -0.441 -8.401 16.447 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.694 -6.247 14.604 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.408 -7.318 16.254 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.680 -6.283 17.467 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.442 -4.318 16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.597 -5.060 14.877 1.00 0.00 H new ATOM 701 N THR A 44 1.048 -5.734 17.355 1.00 0.00 N ATOM 702 CA THR A 44 1.990 -4.825 17.995 1.00 0.00 C ATOM 703 C THR A 44 2.791 -4.044 16.959 1.00 0.00 C ATOM 704 O THR A 44 3.026 -2.846 17.117 1.00 0.00 O ATOM 705 CB THR A 44 2.965 -5.583 18.916 1.00 0.00 C ATOM 706 OG1 THR A 44 3.512 -6.713 18.226 1.00 0.00 O ATOM 707 CG2 THR A 44 2.263 -6.047 20.183 1.00 0.00 C ATOM 0 H THR A 44 0.911 -6.616 17.849 1.00 0.00 H new ATOM 0 HA THR A 44 1.401 -4.130 18.594 1.00 0.00 H new ATOM 0 HB THR A 44 3.770 -4.903 19.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.132 -7.189 18.817 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.972 -6.580 20.817 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.873 -5.182 20.721 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.440 -6.712 19.920 1.00 0.00 H new ATOM 715 N ALA A 45 3.206 -4.730 15.899 1.00 0.00 N ATOM 716 CA ALA A 45 3.978 -4.099 14.836 1.00 0.00 C ATOM 717 C ALA A 45 5.337 -3.633 15.346 1.00 0.00 C ATOM 718 O ALA A 45 5.823 -2.569 14.963 1.00 0.00 O ATOM 719 CB ALA A 45 3.205 -2.929 14.245 1.00 0.00 C ATOM 0 H ALA A 45 3.020 -5.722 15.754 1.00 0.00 H new ATOM 0 HA ALA A 45 4.147 -4.841 14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.794 -2.467 13.452 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.261 -3.287 13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.006 -2.194 15.024 1.00 0.00 H new ATOM 725 N GLN A 46 5.946 -4.436 16.213 1.00 0.00 N ATOM 726 CA GLN A 46 7.249 -4.105 16.776 1.00 0.00 C ATOM 727 C GLN A 46 8.327 -5.044 16.246 1.00 0.00 C ATOM 728 O GLN A 46 9.517 -4.837 16.483 1.00 0.00 O ATOM 729 CB GLN A 46 7.201 -4.175 18.304 1.00 0.00 C ATOM 730 CG GLN A 46 6.755 -5.527 18.836 1.00 0.00 C ATOM 731 CD GLN A 46 7.337 -5.837 20.202 1.00 0.00 C ATOM 732 OE1 GLN A 46 8.493 -5.520 20.483 1.00 0.00 O ATOM 733 NE2 GLN A 46 6.536 -6.460 21.059 1.00 0.00 N ATOM 0 H GLN A 46 5.557 -5.320 16.541 1.00 0.00 H new ATOM 0 HA GLN A 46 7.499 -3.088 16.473 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.190 -3.945 18.701 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.522 -3.406 18.674 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.667 -5.549 18.895 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.052 -6.306 18.133 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.585 -6.704 20.783 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.872 -6.695 21.993 1.00 0.00 H new ATOM 742 N ASP A 47 7.902 -6.078 15.528 1.00 0.00 N ATOM 743 CA ASP A 47 8.831 -7.050 14.963 1.00 0.00 C ATOM 744 C ASP A 47 8.901 -6.915 13.445 1.00 0.00 C ATOM 745 O ASP A 47 8.877 -7.911 12.723 1.00 0.00 O ATOM 746 CB ASP A 47 8.409 -8.470 15.342 1.00 0.00 C ATOM 747 CG ASP A 47 9.588 -9.419 15.434 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.209 -9.697 14.387 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.890 -9.884 16.553 1.00 0.00 O ATOM 0 H ASP A 47 6.920 -6.265 15.323 1.00 0.00 H new ATOM 0 HA ASP A 47 9.821 -6.852 15.374 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.888 -8.448 16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.701 -8.845 14.603 1.00 0.00 H new ATOM 754 N GLU A 48 8.989 -5.677 12.969 1.00 0.00 N ATOM 755 CA GLU A 48 9.061 -5.413 11.537 1.00 0.00 C ATOM 756 C GLU A 48 9.889 -6.481 10.828 1.00 0.00 C ATOM 757 O GLU A 48 11.109 -6.539 10.983 1.00 0.00 O ATOM 758 CB GLU A 48 9.663 -4.031 11.280 1.00 0.00 C ATOM 759 CG GLU A 48 9.275 -3.437 9.936 1.00 0.00 C ATOM 760 CD GLU A 48 9.824 -2.038 9.735 1.00 0.00 C ATOM 761 OE1 GLU A 48 9.531 -1.159 10.572 1.00 0.00 O ATOM 762 OE2 GLU A 48 10.548 -1.823 8.740 1.00 0.00 O ATOM 0 H GLU A 48 9.012 -4.842 13.554 1.00 0.00 H new ATOM 0 HA GLU A 48 8.047 -5.439 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.346 -3.353 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.749 -4.101 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.640 -4.084 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.188 -3.412 9.854 1.00 0.00 H new ATOM 769 N GLU A 49 9.217 -7.324 10.050 1.00 0.00 N ATOM 770 CA GLU A 49 9.891 -8.391 9.319 1.00 0.00 C ATOM 771 C GLU A 49 10.644 -7.833 8.115 1.00 0.00 C ATOM 772 O GLU A 49 11.782 -8.219 7.847 1.00 0.00 O ATOM 773 CB GLU A 49 8.879 -9.442 8.859 1.00 0.00 C ATOM 774 CG GLU A 49 9.473 -10.833 8.709 1.00 0.00 C ATOM 775 CD GLU A 49 10.647 -10.865 7.750 1.00 0.00 C ATOM 776 OE1 GLU A 49 10.591 -10.162 6.719 1.00 0.00 O ATOM 777 OE2 GLU A 49 11.622 -11.593 8.030 1.00 0.00 O ATOM 0 H GLU A 49 8.207 -7.289 9.910 1.00 0.00 H new ATOM 0 HA GLU A 49 10.610 -8.859 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.058 -9.482 9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.454 -9.132 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.796 -11.193 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.702 -11.517 8.356 1.00 0.00 H new ATOM 784 N ASP A 50 10.000 -6.923 7.391 1.00 0.00 N ATOM 785 CA ASP A 50 10.608 -6.311 6.216 1.00 0.00 C ATOM 786 C ASP A 50 9.844 -5.058 5.799 1.00 0.00 C ATOM 787 O ASP A 50 8.789 -4.750 6.353 1.00 0.00 O ATOM 788 CB ASP A 50 10.646 -7.309 5.057 1.00 0.00 C ATOM 789 CG ASP A 50 11.817 -7.069 4.124 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.461 -6.005 4.242 1.00 0.00 O ATOM 791 OD2 ASP A 50 12.089 -7.944 3.277 1.00 0.00 O ATOM 0 H ASP A 50 9.057 -6.593 7.598 1.00 0.00 H new ATOM 0 HA ASP A 50 11.628 -6.025 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.704 -8.322 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.716 -7.242 4.493 1.00 0.00 H new ATOM 796 N ARG A 51 10.385 -4.340 4.821 1.00 0.00 N ATOM 797 CA ARG A 51 9.756 -3.119 4.332 1.00 0.00 C ATOM 798 C ARG A 51 9.962 -2.966 2.827 1.00 0.00 C ATOM 799 O ARG A 51 11.094 -2.931 2.345 1.00 0.00 O ATOM 800 CB ARG A 51 10.323 -1.900 5.061 1.00 0.00 C ATOM 801 CG ARG A 51 9.386 -0.703 5.067 1.00 0.00 C ATOM 802 CD ARG A 51 10.068 0.536 5.625 1.00 0.00 C ATOM 803 NE ARG A 51 11.197 0.958 4.800 1.00 0.00 N ATOM 804 CZ ARG A 51 12.066 1.892 5.167 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.938 2.499 6.340 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.068 2.222 4.362 1.00 0.00 N ATOM 0 H ARG A 51 11.257 -4.582 4.351 1.00 0.00 H new ATOM 0 HA ARG A 51 8.686 -3.187 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.552 -2.177 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.264 -1.612 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.042 -0.504 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.503 -0.934 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.345 1.349 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.415 0.333 6.638 1.00 0.00 H new ATOM 0 HE ARG A 51 11.325 0.511 3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.170 2.248 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.608 3.216 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.171 1.758 3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.735 2.940 4.646 1.00 0.00 H new ATOM 820 N VAL A 52 8.859 -2.876 2.090 1.00 0.00 N ATOM 821 CA VAL A 52 8.918 -2.727 0.641 1.00 0.00 C ATOM 822 C VAL A 52 8.333 -1.389 0.202 1.00 0.00 C ATOM 823 O VAL A 52 7.216 -1.034 0.580 1.00 0.00 O ATOM 824 CB VAL A 52 8.163 -3.864 -0.072 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.802 -5.208 0.241 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.694 -3.857 0.324 1.00 0.00 C ATOM 0 H VAL A 52 7.914 -2.904 2.473 1.00 0.00 H new ATOM 0 HA VAL A 52 9.971 -2.769 0.361 1.00 0.00 H new ATOM 0 HB VAL A 52 8.227 -3.701 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.255 -5.999 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.838 -5.206 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.772 -5.384 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.175 -4.667 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.607 -3.995 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.246 -2.904 0.043 1.00 0.00 H new ATOM 836 N VAL A 53 9.094 -0.650 -0.598 1.00 0.00 N ATOM 837 CA VAL A 53 8.650 0.649 -1.091 1.00 0.00 C ATOM 838 C VAL A 53 7.358 0.521 -1.889 1.00 0.00 C ATOM 839 O VAL A 53 7.153 -0.459 -2.605 1.00 0.00 O ATOM 840 CB VAL A 53 9.724 1.310 -1.976 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.360 2.758 -2.265 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.091 1.217 -1.314 1.00 0.00 C ATOM 0 H VAL A 53 10.021 -0.928 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 53 8.473 1.276 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 53 9.768 0.775 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.130 3.209 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.402 2.796 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.287 3.309 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.838 1.689 -1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.064 1.726 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.352 0.169 -1.164 1.00 0.00 H new ATOM 852 N ILE A 54 6.489 1.519 -1.760 1.00 0.00 N ATOM 853 CA ILE A 54 5.217 1.519 -2.471 1.00 0.00 C ATOM 854 C ILE A 54 5.171 2.629 -3.516 1.00 0.00 C ATOM 855 O ILE A 54 4.659 2.437 -4.619 1.00 0.00 O ATOM 856 CB ILE A 54 4.031 1.691 -1.503 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.855 0.434 -0.649 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.757 1.997 -2.275 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.301 -0.745 -1.418 1.00 0.00 C ATOM 0 H ILE A 54 6.643 2.337 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 54 5.133 0.552 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 54 4.241 2.531 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.818 0.158 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.189 0.660 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.928 2.116 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.888 2.918 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.540 1.177 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.202 -1.601 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.323 -0.487 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.978 -0.998 -2.234 1.00 0.00 H new ATOM 871 N HIS A 55 5.711 3.791 -3.161 1.00 0.00 N ATOM 872 CA HIS A 55 5.734 4.932 -4.069 1.00 0.00 C ATOM 873 C HIS A 55 6.427 4.570 -5.379 1.00 0.00 C ATOM 874 O HIS A 55 7.590 4.166 -5.386 1.00 0.00 O ATOM 875 CB HIS A 55 6.442 6.118 -3.414 1.00 0.00 C ATOM 876 CG HIS A 55 6.426 7.361 -4.248 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.528 8.173 -4.411 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.432 7.930 -4.970 1.00 0.00 C ATOM 879 CE1 HIS A 55 7.213 9.188 -5.196 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.946 9.064 -5.549 1.00 0.00 N ATOM 0 H HIS A 55 6.138 3.967 -2.252 1.00 0.00 H new ATOM 0 HA HIS A 55 4.703 5.211 -4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.969 6.328 -2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.476 5.843 -3.206 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.422 7.561 -5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.878 9.984 -5.498 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.433 9.706 -6.153 1.00 0.00 H new ATOM 889 N PHE A 56 5.706 4.717 -6.485 1.00 0.00 N ATOM 890 CA PHE A 56 6.251 4.404 -7.801 1.00 0.00 C ATOM 891 C PHE A 56 7.185 3.199 -7.730 1.00 0.00 C ATOM 892 O PHE A 56 8.218 3.161 -8.397 1.00 0.00 O ATOM 893 CB PHE A 56 7.002 5.612 -8.366 1.00 0.00 C ATOM 894 CG PHE A 56 6.122 6.560 -9.130 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.317 6.101 -10.160 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.101 7.910 -8.818 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.507 6.972 -10.865 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.293 8.785 -9.520 1.00 0.00 C ATOM 899 CZ PHE A 56 4.494 8.315 -10.544 1.00 0.00 C ATOM 0 H PHE A 56 4.742 5.051 -6.496 1.00 0.00 H new ATOM 0 HA PHE A 56 5.420 4.160 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.477 6.150 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.799 5.261 -9.021 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.322 5.052 -10.415 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.723 8.283 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.885 6.602 -11.666 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.287 9.835 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.860 8.996 -11.092 1.00 0.00 H new ATOM 909 N ASN A 57 6.813 2.217 -6.915 1.00 0.00 N ATOM 910 CA ASN A 57 7.617 1.011 -6.755 1.00 0.00 C ATOM 911 C ASN A 57 6.839 -0.224 -7.201 1.00 0.00 C ATOM 912 O ASN A 57 7.425 -1.221 -7.622 1.00 0.00 O ATOM 913 CB ASN A 57 8.053 0.854 -5.297 1.00 0.00 C ATOM 914 CG ASN A 57 9.358 0.092 -5.164 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.427 0.608 -5.490 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.275 -1.143 -4.682 1.00 0.00 N ATOM 0 H ASN A 57 5.960 2.233 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 57 8.502 1.108 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.163 1.840 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.273 0.334 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.119 -1.704 -4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.367 -1.530 -4.425 1.00 0.00 H new ATOM 923 N VAL A 58 5.515 -0.149 -7.107 1.00 0.00 N ATOM 924 CA VAL A 58 4.657 -1.259 -7.502 1.00 0.00 C ATOM 925 C VAL A 58 4.507 -1.325 -9.018 1.00 0.00 C ATOM 926 O VAL A 58 3.929 -0.429 -9.634 1.00 0.00 O ATOM 927 CB VAL A 58 3.260 -1.143 -6.863 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.362 -2.277 -7.334 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.368 -1.131 -5.346 1.00 0.00 C ATOM 0 H VAL A 58 5.014 0.669 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 58 5.136 -2.172 -7.147 1.00 0.00 H new ATOM 0 HB VAL A 58 2.811 -0.201 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.379 -2.179 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.259 -2.234 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.803 -3.232 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.372 -1.049 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.837 -2.055 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.973 -0.281 -5.031 1.00 0.00 H new ATOM 939 N ARG A 59 5.030 -2.392 -9.613 1.00 0.00 N ATOM 940 CA ARG A 59 4.955 -2.575 -11.057 1.00 0.00 C ATOM 941 C ARG A 59 3.541 -2.961 -11.483 1.00 0.00 C ATOM 942 O ARG A 59 2.972 -2.362 -12.396 1.00 0.00 O ATOM 943 CB ARG A 59 5.946 -3.650 -11.509 1.00 0.00 C ATOM 944 CG ARG A 59 6.271 -3.593 -12.992 1.00 0.00 C ATOM 945 CD ARG A 59 7.446 -2.669 -13.270 1.00 0.00 C ATOM 946 NE ARG A 59 7.444 -2.179 -14.646 1.00 0.00 N ATOM 947 CZ ARG A 59 6.708 -1.153 -15.060 1.00 0.00 C ATOM 948 NH1 ARG A 59 5.921 -0.512 -14.207 1.00 0.00 N ATOM 949 NH2 ARG A 59 6.760 -0.766 -16.328 1.00 0.00 N ATOM 0 H ARG A 59 5.510 -3.143 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 59 5.214 -1.629 -11.532 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.869 -3.544 -10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.536 -4.632 -11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.501 -4.595 -13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.397 -3.248 -13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.412 -1.823 -12.584 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.378 -3.199 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 59 8.040 -2.650 -15.326 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.880 -0.806 -13.231 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.357 0.275 -14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.365 -1.256 -16.986 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.194 0.022 -16.644 1.00 0.00 H new ATOM 963 N ASP A 60 2.981 -3.965 -10.817 1.00 0.00 N ATOM 964 CA ASP A 60 1.634 -4.430 -11.127 1.00 0.00 C ATOM 965 C ASP A 60 0.980 -5.056 -9.899 1.00 0.00 C ATOM 966 O ASP A 60 1.614 -5.204 -8.853 1.00 0.00 O ATOM 967 CB ASP A 60 1.672 -5.444 -12.272 1.00 0.00 C ATOM 968 CG ASP A 60 2.771 -6.474 -12.097 1.00 0.00 C ATOM 969 OD1 ASP A 60 3.944 -6.139 -12.360 1.00 0.00 O ATOM 970 OD2 ASP A 60 2.456 -7.615 -11.699 1.00 0.00 O ATOM 0 H ASP A 60 3.439 -4.472 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 60 1.041 -3.569 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.709 -5.951 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.818 -4.917 -13.215 1.00 0.00 H new ATOM 975 N ILE A 61 -0.290 -5.421 -10.032 1.00 0.00 N ATOM 976 CA ILE A 61 -1.029 -6.030 -8.934 1.00 0.00 C ATOM 977 C ILE A 61 -2.146 -6.929 -9.454 1.00 0.00 C ATOM 978 O ILE A 61 -3.085 -6.462 -10.099 1.00 0.00 O ATOM 979 CB ILE A 61 -1.636 -4.964 -8.003 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.534 -4.076 -7.422 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.434 -5.625 -6.889 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.056 -2.959 -6.546 1.00 0.00 C ATOM 0 H ILE A 61 -0.829 -5.305 -10.890 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.315 -6.630 -8.369 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.312 -4.338 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.150 -4.694 -6.840 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.043 -3.645 -8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.856 -4.858 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.240 -6.219 -7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.778 -6.273 -6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.219 -2.371 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.717 -2.318 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.609 -3.382 -5.707 1.00 0.00 H new ATOM 994 N LYS A 62 -2.038 -8.222 -9.169 1.00 0.00 N ATOM 995 CA LYS A 62 -3.040 -9.189 -9.605 1.00 0.00 C ATOM 996 C LYS A 62 -3.974 -9.559 -8.457 1.00 0.00 C ATOM 997 O LYS A 62 -3.526 -9.966 -7.385 1.00 0.00 O ATOM 998 CB LYS A 62 -2.361 -10.447 -10.150 1.00 0.00 C ATOM 999 CG LYS A 62 -1.451 -10.182 -11.337 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.499 -11.340 -11.580 1.00 0.00 C ATOM 1001 CE LYS A 62 0.797 -10.871 -12.224 1.00 0.00 C ATOM 1002 NZ LYS A 62 1.781 -10.399 -11.210 1.00 0.00 N ATOM 0 H LYS A 62 -1.266 -8.625 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.631 -8.730 -10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.779 -10.910 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.127 -11.165 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.055 -10.013 -12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.879 -9.271 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.278 -11.835 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.979 -12.078 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.232 -11.687 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.583 -10.065 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.016 -9.402 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.370 -10.490 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.645 -10.975 -11.271 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.275 -9.416 -8.690 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.273 -9.738 -7.676 1.00 0.00 C ATOM 1018 C VAL A 63 -7.328 -10.690 -8.227 1.00 0.00 C ATOM 1019 O VAL A 63 -7.883 -10.465 -9.301 1.00 0.00 O ATOM 1020 CB VAL A 63 -6.968 -8.469 -7.149 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -7.965 -8.820 -6.056 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -5.938 -7.470 -6.642 1.00 0.00 C ATOM 0 H VAL A 63 -5.663 -9.079 -9.571 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.745 -10.221 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.515 -8.007 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.446 -7.910 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.721 -9.496 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.444 -9.306 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.446 -6.579 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.362 -7.920 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.267 -7.194 -7.456 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.601 -11.757 -7.482 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.590 -12.729 -7.912 1.00 0.00 C ATOM 1034 C GLY A 64 -8.285 -13.299 -9.283 1.00 0.00 C ATOM 1035 O GLY A 64 -7.163 -13.730 -9.546 1.00 0.00 O ATOM 0 H GLY A 64 -7.155 -11.966 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.636 -13.541 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.574 -12.259 -7.928 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.287 -13.302 -10.156 1.00 0.00 N ATOM 1040 CA GLN A 65 -9.120 -13.826 -11.507 1.00 0.00 C ATOM 1041 C GLN A 65 -7.714 -13.547 -12.029 1.00 0.00 C ATOM 1042 O GLN A 65 -7.032 -14.450 -12.512 1.00 0.00 O ATOM 1043 CB GLN A 65 -10.158 -13.211 -12.447 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.276 -13.934 -13.779 1.00 0.00 C ATOM 1045 CD GLN A 65 -9.322 -13.391 -14.825 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -8.198 -13.873 -14.967 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -9.767 -12.381 -15.564 1.00 0.00 N ATOM 0 H GLN A 65 -10.222 -12.948 -9.953 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.267 -14.905 -11.472 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.130 -13.214 -11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.897 -12.169 -12.631 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.080 -14.996 -13.630 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.299 -13.847 -14.146 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.706 -12.013 -15.412 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.170 -11.974 -16.284 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.289 -12.292 -11.929 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.965 -11.895 -12.393 1.00 0.00 C ATOM 1058 C GLU A 66 -4.922 -12.944 -12.022 1.00 0.00 C ATOM 1059 O GLU A 66 -4.121 -13.361 -12.860 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.576 -10.540 -11.796 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.083 -9.354 -12.599 1.00 0.00 C ATOM 1062 CD GLU A 66 -5.091 -8.894 -13.650 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -4.587 -9.752 -14.404 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -4.819 -7.677 -13.718 1.00 0.00 O ATOM 0 H GLU A 66 -7.842 -11.533 -11.531 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.999 -11.809 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.966 -10.474 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.490 -10.482 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.022 -9.623 -13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.299 -8.527 -11.922 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.937 -13.366 -10.763 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.991 -14.366 -10.280 1.00 0.00 C ATOM 1073 C CYS A 67 -4.557 -15.773 -10.443 1.00 0.00 C ATOM 1074 O CYS A 67 -5.457 -16.179 -9.708 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.649 -14.108 -8.812 1.00 0.00 C ATOM 1076 SG CYS A 67 -1.983 -14.629 -8.339 1.00 0.00 S ATOM 0 H CYS A 67 -5.594 -13.032 -10.058 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.082 -14.288 -10.876 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.757 -13.043 -8.607 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.373 -14.628 -8.185 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.824 -14.465 -7.059 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.245 -20.930 -3.662 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.800 -20.352 -2.435 1.00 0.00 C ATOM 1146 C PRO A 72 -5.798 -21.343 -1.275 1.00 0.00 C ATOM 1147 O PRO A 72 -5.806 -22.559 -1.466 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.235 -19.994 -2.829 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.563 -20.920 -3.949 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.276 -21.142 -4.693 1.00 0.00 C ATOM 0 HA PRO A 72 -5.215 -19.502 -2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.920 -20.127 -1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.312 -18.952 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.963 -21.861 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.322 -20.489 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.223 -22.146 -5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.165 -20.443 -5.522 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.787 -20.812 -0.043 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.785 -21.633 1.171 1.00 0.00 C ATOM 1160 C PRO A 73 -7.111 -22.354 1.387 1.00 0.00 C ATOM 1161 O PRO A 73 -8.177 -21.807 1.106 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.543 -20.614 2.287 1.00 0.00 C ATOM 1163 CG PRO A 73 -6.045 -19.324 1.738 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.777 -19.371 0.259 1.00 0.00 C ATOM 0 HA PRO A 73 -5.036 -22.424 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.075 -20.890 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.485 -20.551 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.110 -19.203 1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.535 -18.479 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.541 -18.837 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.819 -18.915 0.009 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.037 -23.583 1.887 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.233 -24.378 2.139 1.00 0.00 C ATOM 1174 C GLU A 74 -9.208 -23.624 3.038 1.00 0.00 C ATOM 1175 O GLU A 74 -8.962 -23.449 4.231 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.858 -25.715 2.783 1.00 0.00 C ATOM 1177 CG GLU A 74 -7.663 -26.840 1.780 1.00 0.00 C ATOM 1178 CD GLU A 74 -8.854 -27.013 0.858 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.980 -27.186 1.369 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -8.660 -26.974 -0.375 1.00 0.00 O ATOM 0 H GLU A 74 -6.162 -24.050 2.126 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.720 -24.568 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.940 -25.588 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.638 -26.000 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.773 -26.640 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.485 -27.772 2.316 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.317 -23.178 2.456 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.313 -22.447 3.218 1.00 0.00 C ATOM 1189 C GLY A 75 -11.752 -21.172 2.526 1.00 0.00 C ATOM 1190 O GLY A 75 -12.940 -20.970 2.277 1.00 0.00 O ATOM 0 H GLY A 75 -10.544 -23.310 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.181 -23.085 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.907 -22.203 4.200 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.790 -20.308 2.215 1.00 0.00 N ATOM 1195 CA ARG A 76 -11.084 -19.044 1.550 1.00 0.00 C ATOM 1196 C ARG A 76 -11.401 -19.267 0.074 1.00 0.00 C ATOM 1197 O ARG A 76 -11.307 -20.387 -0.429 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.903 -18.083 1.690 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.870 -17.347 3.019 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.913 -18.313 4.192 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.028 -17.617 5.471 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.009 -18.233 6.648 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -9.882 -19.552 6.707 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -10.119 -17.531 7.768 1.00 0.00 N ATOM 0 H ARG A 76 -9.801 -20.461 2.413 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.959 -18.605 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.975 -18.642 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.942 -17.353 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.966 -16.741 3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.717 -16.663 3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.757 -18.992 4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.010 -18.924 4.192 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.128 -16.602 5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.799 -20.095 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.868 -20.023 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.218 -16.517 7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.104 -18.005 8.671 1.00 0.00 H new ATOM 1218 N SER A 77 -11.776 -18.194 -0.614 1.00 0.00 N ATOM 1219 CA SER A 77 -12.111 -18.273 -2.031 1.00 0.00 C ATOM 1220 C SER A 77 -10.962 -17.754 -2.890 1.00 0.00 C ATOM 1221 O SER A 77 -9.934 -17.317 -2.373 1.00 0.00 O ATOM 1222 CB SER A 77 -13.382 -17.473 -2.322 1.00 0.00 C ATOM 1223 OG SER A 77 -14.084 -18.015 -3.427 1.00 0.00 O ATOM 0 H SER A 77 -11.856 -17.259 -0.213 1.00 0.00 H new ATOM 0 HA SER A 77 -12.284 -19.320 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.026 -17.474 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.123 -16.434 -2.526 1.00 0.00 H new ATOM 0 HG SER A 77 -14.893 -17.487 -3.591 1.00 0.00 H new ATOM 1229 N ARG A 78 -11.145 -17.806 -4.206 1.00 0.00 N ATOM 1230 CA ARG A 78 -10.124 -17.343 -5.138 1.00 0.00 C ATOM 1231 C ARG A 78 -10.213 -15.833 -5.335 1.00 0.00 C ATOM 1232 O ARG A 78 -9.360 -15.230 -5.987 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.273 -18.054 -6.484 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.663 -19.446 -6.509 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.787 -20.084 -7.884 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.884 -21.221 -8.043 1.00 0.00 N ATOM 1237 CZ ARG A 78 -8.708 -21.865 -9.191 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -9.371 -21.486 -10.275 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -7.869 -22.891 -9.256 1.00 0.00 N ATOM 0 H ARG A 78 -11.991 -18.164 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.147 -17.580 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.332 -18.126 -6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.805 -17.448 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.612 -19.389 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.158 -20.075 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.815 -20.413 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.571 -19.339 -8.650 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.360 -21.538 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.018 -20.699 -10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.234 -21.982 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.358 -23.186 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.735 -23.385 -10.138 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.251 -15.228 -4.769 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.452 -13.788 -4.882 1.00 0.00 C ATOM 1255 C ASP A 79 -10.550 -13.035 -3.908 1.00 0.00 C ATOM 1256 O ASP A 79 -10.489 -11.807 -3.925 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.916 -13.433 -4.618 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.768 -13.527 -5.869 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.249 -13.228 -6.964 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.955 -13.899 -5.752 1.00 0.00 O ATOM 0 H ASP A 79 -11.967 -15.712 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.191 -13.489 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.318 -14.102 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.975 -12.421 -4.217 1.00 0.00 H new ATOM 1265 N GLY A 80 -9.853 -13.782 -3.057 1.00 0.00 N ATOM 1266 CA GLY A 80 -8.965 -13.169 -2.086 1.00 0.00 C ATOM 1267 C GLY A 80 -7.551 -13.016 -2.610 1.00 0.00 C ATOM 1268 O GLY A 80 -6.810 -12.136 -2.170 1.00 0.00 O ATOM 0 H GLY A 80 -9.887 -14.801 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.355 -12.189 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.950 -13.774 -1.179 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.174 -13.875 -3.550 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.837 -13.833 -4.133 1.00 0.00 C ATOM 1274 C LEU A 81 -5.413 -12.397 -4.420 1.00 0.00 C ATOM 1275 O LEU A 81 -6.158 -11.628 -5.029 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.796 -14.656 -5.422 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.423 -16.131 -5.266 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.157 -16.745 -4.085 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.730 -16.897 -6.544 1.00 0.00 C ATOM 0 H LEU A 81 -7.775 -14.609 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.140 -14.261 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.775 -14.598 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.083 -14.192 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.352 -16.197 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.879 -17.795 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.887 -16.214 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.232 -16.668 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.458 -17.945 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.795 -16.823 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.157 -16.473 -7.369 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.211 -12.041 -3.979 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.686 -10.697 -4.189 1.00 0.00 C ATOM 1293 C LEU A 82 -2.162 -10.711 -4.249 1.00 0.00 C ATOM 1294 O LEU A 82 -1.492 -10.942 -3.242 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.155 -9.764 -3.072 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.326 -8.496 -2.864 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.592 -7.496 -3.979 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.629 -7.877 -1.507 1.00 0.00 C ATOM 0 H LEU A 82 -3.582 -12.665 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.066 -10.331 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.184 -9.471 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.165 -10.325 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.270 -8.767 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.994 -6.600 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.324 -7.940 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.649 -7.230 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.030 -6.976 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.687 -7.621 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.387 -8.591 -0.719 1.00 0.00 H new ATOM 1310 N THR A 83 -1.619 -10.461 -5.437 1.00 0.00 N ATOM 1311 CA THR A 83 -0.174 -10.444 -5.628 1.00 0.00 C ATOM 1312 C THR A 83 0.310 -9.058 -6.040 1.00 0.00 C ATOM 1313 O THR A 83 -0.214 -8.460 -6.980 1.00 0.00 O ATOM 1314 CB THR A 83 0.263 -11.466 -6.695 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.452 -12.694 -6.519 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.760 -11.728 -6.611 1.00 0.00 C ATOM 0 H THR A 83 -2.158 -10.268 -6.281 1.00 0.00 H new ATOM 0 HA THR A 83 0.275 -10.713 -4.672 1.00 0.00 H new ATOM 0 HB THR A 83 0.037 -11.052 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.790 -13.003 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.046 -12.453 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.302 -10.797 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.006 -12.123 -5.625 1.00 0.00 H new ATOM 1324 N VAL A 84 1.314 -8.552 -5.330 1.00 0.00 N ATOM 1325 CA VAL A 84 1.870 -7.237 -5.623 1.00 0.00 C ATOM 1326 C VAL A 84 3.277 -7.351 -6.199 1.00 0.00 C ATOM 1327 O VAL A 84 4.128 -8.049 -5.650 1.00 0.00 O ATOM 1328 CB VAL A 84 1.912 -6.352 -4.363 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.516 -4.993 -4.685 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.519 -6.199 -3.773 1.00 0.00 C ATOM 0 H VAL A 84 1.758 -9.033 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 84 1.215 -6.774 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 84 2.545 -6.837 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.538 -4.381 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.532 -5.125 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.912 -4.497 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.568 -5.571 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.139 -5.736 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.128 -7.180 -3.503 1.00 0.00 H new ATOM 1340 N ASN A 85 3.514 -6.659 -7.308 1.00 0.00 N ATOM 1341 CA ASN A 85 4.819 -6.682 -7.959 1.00 0.00 C ATOM 1342 C ASN A 85 5.637 -5.450 -7.583 1.00 0.00 C ATOM 1343 O ASN A 85 5.091 -4.360 -7.406 1.00 0.00 O ATOM 1344 CB ASN A 85 4.654 -6.754 -9.479 1.00 0.00 C ATOM 1345 CG ASN A 85 4.599 -8.182 -9.987 1.00 0.00 C ATOM 1346 OD1 ASN A 85 3.555 -8.907 -9.603 1.00 0.00 O flip ATOM 1347 ND2 ASN A 85 5.485 -8.627 -10.717 1.00 0.00 N flip ATOM 0 H ASN A 85 2.820 -6.075 -7.775 1.00 0.00 H new ATOM 0 HA ASN A 85 5.352 -7.569 -7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.741 -6.233 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.483 -6.233 -9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.269 -8.033 -10.987 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.435 -9.589 -11.052 1.00 0.00 H new ATOM 1354 N LEU A 86 6.948 -5.630 -7.464 1.00 0.00 N ATOM 1355 CA LEU A 86 7.842 -4.533 -7.110 1.00 0.00 C ATOM 1356 C LEU A 86 8.785 -4.206 -8.263 1.00 0.00 C ATOM 1357 O LEU A 86 9.109 -5.070 -9.078 1.00 0.00 O ATOM 1358 CB LEU A 86 8.650 -4.890 -5.861 1.00 0.00 C ATOM 1359 CG LEU A 86 7.838 -5.216 -4.607 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.723 -5.855 -3.549 1.00 0.00 C ATOM 1361 CD2 LEU A 86 7.173 -3.961 -4.062 1.00 0.00 C ATOM 0 H LEU A 86 7.415 -6.525 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 86 7.233 -3.653 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.281 -5.748 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.315 -4.057 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 86 7.058 -5.928 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.128 -6.080 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.152 -6.777 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.525 -5.167 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.599 -4.211 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.936 -3.226 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.506 -3.545 -4.817 1.00 0.00 H new ATOM 1373 N ARG A 87 9.223 -2.952 -8.325 1.00 0.00 N ATOM 1374 CA ARG A 87 10.130 -2.511 -9.378 1.00 0.00 C ATOM 1375 C ARG A 87 11.552 -2.996 -9.109 1.00 0.00 C ATOM 1376 O ARG A 87 12.376 -3.065 -10.020 1.00 0.00 O ATOM 1377 CB ARG A 87 10.113 -0.985 -9.488 1.00 0.00 C ATOM 1378 CG ARG A 87 10.826 -0.284 -8.344 1.00 0.00 C ATOM 1379 CD ARG A 87 11.391 1.059 -8.779 1.00 0.00 C ATOM 1380 NE ARG A 87 10.350 1.958 -9.270 1.00 0.00 N ATOM 1381 CZ ARG A 87 10.599 3.054 -9.978 1.00 0.00 C ATOM 1382 NH1 ARG A 87 11.847 3.384 -10.277 1.00 0.00 N ATOM 1383 NH2 ARG A 87 9.597 3.822 -10.389 1.00 0.00 N ATOM 0 H ARG A 87 8.964 -2.224 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 87 9.790 -2.941 -10.320 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.578 -0.692 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.079 -0.643 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.132 -0.137 -7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.633 -0.917 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.906 1.525 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.134 0.903 -9.561 1.00 0.00 H new ATOM 0 HE ARG A 87 9.378 1.732 -9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.619 2.796 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.036 4.226 -10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.635 3.571 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.789 4.663 -10.933 1.00 0.00 H new ATOM 1397 N GLU A 88 11.830 -3.331 -7.853 1.00 0.00 N ATOM 1398 CA GLU A 88 13.152 -3.808 -7.466 1.00 0.00 C ATOM 1399 C GLU A 88 13.414 -5.203 -8.028 1.00 0.00 C ATOM 1400 O GLU A 88 14.491 -5.481 -8.553 1.00 0.00 O ATOM 1401 CB GLU A 88 13.286 -3.828 -5.942 1.00 0.00 C ATOM 1402 CG GLU A 88 12.262 -4.714 -5.252 1.00 0.00 C ATOM 1403 CD GLU A 88 12.373 -4.666 -3.741 1.00 0.00 C ATOM 1404 OE1 GLU A 88 12.473 -3.551 -3.187 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.360 -5.745 -3.111 1.00 0.00 O ATOM 0 H GLU A 88 11.158 -3.281 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 88 13.892 -3.123 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.287 -4.170 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.187 -2.811 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.260 -4.404 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.391 -5.742 -5.590 1.00 0.00 H new ATOM 1412 N GLY A 89 12.418 -6.077 -7.912 1.00 0.00 N ATOM 1413 CA GLY A 89 12.560 -7.432 -8.412 1.00 0.00 C ATOM 1414 C GLY A 89 12.107 -8.472 -7.406 1.00 0.00 C ATOM 1415 O GLY A 89 12.878 -9.350 -7.021 1.00 0.00 O ATOM 0 H GLY A 89 11.517 -5.871 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.980 -7.540 -9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.603 -7.613 -8.672 1.00 0.00 H new ATOM 1419 N SER A 90 10.853 -8.371 -6.977 1.00 0.00 N ATOM 1420 CA SER A 90 10.300 -9.307 -6.005 1.00 0.00 C ATOM 1421 C SER A 90 8.780 -9.194 -5.946 1.00 0.00 C ATOM 1422 O SER A 90 8.231 -8.095 -5.864 1.00 0.00 O ATOM 1423 CB SER A 90 10.896 -9.047 -4.620 1.00 0.00 C ATOM 1424 OG SER A 90 10.277 -9.860 -3.638 1.00 0.00 O ATOM 0 H SER A 90 10.201 -7.651 -7.287 1.00 0.00 H new ATOM 0 HA SER A 90 10.560 -10.317 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.968 -9.246 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.771 -7.996 -4.358 1.00 0.00 H new ATOM 0 HG SER A 90 10.676 -9.676 -2.762 1.00 0.00 H new ATOM 1430 N ARG A 91 8.105 -10.338 -5.987 1.00 0.00 N ATOM 1431 CA ARG A 91 6.649 -10.369 -5.940 1.00 0.00 C ATOM 1432 C ARG A 91 6.158 -10.738 -4.543 1.00 0.00 C ATOM 1433 O ARG A 91 6.792 -11.523 -3.837 1.00 0.00 O ATOM 1434 CB ARG A 91 6.105 -11.368 -6.963 1.00 0.00 C ATOM 1435 CG ARG A 91 6.570 -12.795 -6.728 1.00 0.00 C ATOM 1436 CD ARG A 91 5.930 -13.760 -7.714 1.00 0.00 C ATOM 1437 NE ARG A 91 6.602 -13.742 -9.011 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.274 -14.542 -10.020 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.289 -15.418 -9.881 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.932 -14.466 -11.169 1.00 0.00 N ATOM 0 H ARG A 91 8.544 -11.256 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 91 6.282 -9.372 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.016 -11.342 -6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.410 -11.055 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.655 -12.845 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.323 -13.096 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.959 -14.770 -7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.880 -13.500 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 91 7.365 -13.079 -9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.781 -15.479 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.039 -16.031 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.691 -13.793 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.679 -15.081 -11.943 1.00 0.00 H new ATOM 1454 N LEU A 92 5.025 -10.166 -4.150 1.00 0.00 N ATOM 1455 CA LEU A 92 4.449 -10.433 -2.837 1.00 0.00 C ATOM 1456 C LEU A 92 3.145 -11.215 -2.963 1.00 0.00 C ATOM 1457 O LEU A 92 2.110 -10.660 -3.334 1.00 0.00 O ATOM 1458 CB LEU A 92 4.199 -9.122 -2.090 1.00 0.00 C ATOM 1459 CG LEU A 92 5.394 -8.544 -1.330 1.00 0.00 C ATOM 1460 CD1 LEU A 92 5.218 -7.050 -1.114 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.576 -9.260 0.001 1.00 0.00 C ATOM 0 H LEU A 92 4.487 -9.515 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 92 5.161 -11.036 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.856 -8.377 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.385 -9.280 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 92 6.291 -8.700 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.078 -6.657 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.138 -6.550 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.312 -6.870 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.431 -8.836 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.678 -9.136 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.750 -10.321 -0.177 1.00 0.00 H new ATOM 1473 N HIS A 93 3.202 -12.506 -2.651 1.00 0.00 N ATOM 1474 CA HIS A 93 2.025 -13.364 -2.727 1.00 0.00 C ATOM 1475 C HIS A 93 1.163 -13.216 -1.477 1.00 0.00 C ATOM 1476 O HIS A 93 1.577 -13.584 -0.377 1.00 0.00 O ATOM 1477 CB HIS A 93 2.442 -14.824 -2.903 1.00 0.00 C ATOM 1478 CG HIS A 93 2.789 -15.182 -4.315 1.00 0.00 C ATOM 1479 ND1 HIS A 93 1.964 -14.908 -5.385 1.00 0.00 N ATOM 1480 CD2 HIS A 93 3.880 -15.795 -4.831 1.00 0.00 C ATOM 1481 CE1 HIS A 93 2.531 -15.338 -6.498 1.00 0.00 C ATOM 1482 NE2 HIS A 93 3.696 -15.880 -6.189 1.00 0.00 N ATOM 0 H HIS A 93 4.051 -12.981 -2.343 1.00 0.00 H new ATOM 0 HA HIS A 93 1.437 -13.056 -3.591 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.301 -15.027 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.632 -15.468 -2.562 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.736 -16.151 -4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 93 2.114 -15.260 -7.491 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.352 -16.294 -6.852 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.037 -12.674 -1.653 1.00 0.00 N ATOM 1492 CA LEU A 94 -0.958 -12.476 -0.538 1.00 0.00 C ATOM 1493 C LEU A 94 -2.351 -12.992 -0.885 1.00 0.00 C ATOM 1494 O LEU A 94 -2.599 -13.433 -2.008 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.028 -10.994 -0.166 1.00 0.00 C ATOM 1496 CG LEU A 94 0.292 -10.342 0.247 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.095 -8.858 0.510 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.865 -11.032 1.476 1.00 0.00 C ATOM 0 H LEU A 94 -0.395 -12.364 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.584 -13.041 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.430 -10.445 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.739 -10.879 0.652 1.00 0.00 H new ATOM 0 HG LEU A 94 1.002 -10.453 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.045 -8.411 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.270 -8.373 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.631 -8.724 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.804 -10.555 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.157 -10.952 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.044 -12.084 1.252 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.257 -12.931 0.085 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.626 -13.391 -0.118 1.00 0.00 C ATOM 1512 C CYS A 95 -5.555 -12.821 0.949 1.00 0.00 C ATOM 1513 O CYS A 95 -5.194 -12.744 2.123 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.682 -14.919 -0.096 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.356 -15.598 -0.176 1.00 0.00 S ATOM 0 H CYS A 95 -3.068 -12.568 1.019 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.961 -13.037 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.104 -15.305 -0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.200 -15.276 0.814 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.150 -14.884 0.566 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.751 -12.420 0.532 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.732 -11.857 1.452 1.00 0.00 C ATOM 1523 C ALA A 96 -8.877 -12.834 1.699 1.00 0.00 C ATOM 1524 O ALA A 96 -8.893 -13.936 1.152 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.267 -10.539 0.911 1.00 0.00 C ATOM 0 H ALA A 96 -7.064 -12.474 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.236 -11.671 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.998 -10.130 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.444 -9.834 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.742 -10.708 -0.055 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.831 -12.422 2.527 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.979 -13.262 2.848 1.00 0.00 C ATOM 1533 C GLU A 97 -12.108 -13.047 1.844 1.00 0.00 C ATOM 1534 O GLU A 97 -12.728 -14.002 1.375 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.477 -12.966 4.264 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.870 -11.514 4.480 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.285 -11.228 5.910 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -13.197 -11.919 6.411 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.700 -10.315 6.527 1.00 0.00 O ATOM 0 H GLU A 97 -9.832 -11.512 2.988 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.661 -14.303 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.336 -13.602 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.697 -13.233 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.031 -10.871 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.691 -11.260 3.810 1.00 0.00 H new ATOM 1546 N THR A 98 -12.371 -11.785 1.520 1.00 0.00 N ATOM 1547 CA THR A 98 -13.426 -11.442 0.574 1.00 0.00 C ATOM 1548 C THR A 98 -12.868 -10.671 -0.617 1.00 0.00 C ATOM 1549 O THR A 98 -11.690 -10.316 -0.641 1.00 0.00 O ATOM 1550 CB THR A 98 -14.529 -10.602 1.244 1.00 0.00 C ATOM 1551 OG1 THR A 98 -13.984 -9.365 1.717 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.159 -11.360 2.403 1.00 0.00 C ATOM 0 H THR A 98 -11.868 -10.983 1.899 1.00 0.00 H new ATOM 0 HA THR A 98 -13.856 -12.381 0.226 1.00 0.00 H new ATOM 0 HB THR A 98 -15.301 -10.399 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.692 -8.836 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.935 -10.746 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.599 -12.287 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.395 -11.591 3.145 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.722 -10.415 -1.602 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.313 -9.686 -2.797 1.00 0.00 C ATOM 1562 C ARG A 99 -13.108 -8.206 -2.487 1.00 0.00 C ATOM 1563 O ARG A 99 -12.139 -7.595 -2.938 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.359 -9.847 -3.901 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.718 -9.267 -3.542 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.735 -9.504 -4.648 1.00 0.00 C ATOM 1567 NE ARG A 99 -18.100 -9.243 -4.201 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.735 -9.987 -3.302 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.130 -11.033 -2.756 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.977 -9.685 -2.947 1.00 0.00 N ATOM 0 H ARG A 99 -14.701 -10.701 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.366 -10.102 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.995 -9.364 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.474 -10.907 -4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.074 -9.718 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.621 -8.197 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.503 -8.862 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.658 -10.534 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.594 -8.445 -4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.175 -11.268 -3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.620 -11.603 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.445 -8.881 -3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.463 -10.257 -2.257 1.00 0.00 H new ATOM 1584 N ASP A 100 -14.027 -7.636 -1.715 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.947 -6.228 -1.344 1.00 0.00 C ATOM 1586 C ASP A 100 -12.587 -5.902 -0.735 1.00 0.00 C ATOM 1587 O ASP A 100 -11.869 -5.030 -1.224 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.060 -5.874 -0.357 1.00 0.00 C ATOM 1589 CG ASP A 100 -14.687 -4.714 0.545 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -13.953 -3.816 0.083 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -15.131 -4.704 1.712 1.00 0.00 O ATOM 0 H ASP A 100 -14.836 -8.127 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.072 -5.633 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.966 -5.624 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.290 -6.746 0.255 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.240 -6.609 0.335 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.966 -6.395 1.012 1.00 0.00 C ATOM 1598 C ASP A 101 -9.811 -6.419 0.016 1.00 0.00 C ATOM 1599 O ASP A 101 -8.968 -5.522 0.006 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.750 -7.461 2.087 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.438 -7.114 3.393 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -11.724 -5.919 3.613 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.689 -8.038 4.196 1.00 0.00 O ATOM 0 H ASP A 101 -12.823 -7.335 0.752 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.994 -5.413 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.125 -8.419 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.681 -7.583 2.264 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.779 -7.451 -0.821 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.728 -7.591 -1.822 1.00 0.00 C ATOM 1610 C ALA A 102 -8.655 -6.359 -2.717 1.00 0.00 C ATOM 1611 O ALA A 102 -7.578 -5.804 -2.939 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.959 -8.841 -2.658 1.00 0.00 C ATOM 0 H ALA A 102 -10.469 -8.202 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.775 -7.686 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.167 -8.933 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.953 -9.718 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.923 -8.769 -3.162 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.806 -5.936 -3.229 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.872 -4.769 -4.100 1.00 0.00 C ATOM 1620 C ILE A 103 -9.398 -3.514 -3.375 1.00 0.00 C ATOM 1621 O ILE A 103 -8.623 -2.727 -3.917 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.302 -4.537 -4.623 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.786 -5.757 -5.408 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.352 -3.288 -5.491 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.277 -5.761 -5.660 1.00 0.00 C ATOM 0 H ILE A 103 -10.706 -6.384 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.213 -4.968 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.965 -4.391 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.264 -5.794 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.516 -6.661 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.369 -3.137 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.044 -2.424 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.679 -3.408 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.549 -6.655 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.807 -5.756 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.552 -4.875 -6.233 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.866 -3.336 -2.144 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.487 -2.180 -1.342 1.00 0.00 C ATOM 1639 C ALA A 104 -7.974 -1.991 -1.332 1.00 0.00 C ATOM 1640 O ALA A 104 -7.474 -0.899 -1.604 1.00 0.00 O ATOM 1641 CB ALA A 104 -10.011 -2.327 0.079 1.00 0.00 C ATOM 0 H ALA A 104 -10.509 -3.978 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.935 -1.295 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.720 -1.456 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.098 -2.405 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.591 -3.226 0.531 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.251 -3.059 -1.017 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.794 -3.010 -0.972 1.00 0.00 C ATOM 1649 C TRP A 105 -5.220 -2.610 -2.326 1.00 0.00 C ATOM 1650 O TRP A 105 -4.315 -1.780 -2.408 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.231 -4.367 -0.545 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.135 -4.530 0.942 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.846 -5.400 1.718 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.282 -3.801 1.831 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.486 -5.256 3.036 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.527 -4.283 3.131 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.332 -2.791 1.654 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.858 -3.786 4.247 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.670 -2.299 2.762 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.934 -2.797 4.045 1.00 0.00 C ATOM 0 H TRP A 105 -7.650 -3.970 -0.789 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.503 -2.257 -0.240 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.863 -5.158 -0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.241 -4.495 -0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.583 -6.098 1.350 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.871 -5.788 3.817 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.120 -2.402 0.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.061 -4.168 5.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.936 -1.517 2.637 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.398 -2.392 4.891 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.752 -3.206 -3.389 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.294 -2.911 -4.741 1.00 0.00 C ATOM 1673 C LYS A 106 -5.422 -1.422 -5.046 1.00 0.00 C ATOM 1674 O LYS A 106 -4.548 -0.830 -5.680 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.095 -3.723 -5.761 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.967 -3.207 -7.184 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.427 -4.243 -8.196 1.00 0.00 C ATOM 1678 CE LYS A 106 -6.030 -3.855 -9.612 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.581 -4.800 -10.622 1.00 0.00 N ATOM 0 H LYS A 106 -6.501 -3.896 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.242 -3.188 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.763 -4.761 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.146 -3.716 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.559 -2.299 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.929 -2.938 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.994 -5.212 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.510 -4.354 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.386 -2.847 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.943 -3.832 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.288 -4.501 -11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.221 -5.758 -10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.619 -4.803 -10.565 1.00 0.00 H new ATOM 1693 N THR A 107 -6.517 -0.821 -4.590 1.00 0.00 N ATOM 1694 CA THR A 107 -6.759 0.599 -4.815 1.00 0.00 C ATOM 1695 C THR A 107 -5.849 1.456 -3.943 1.00 0.00 C ATOM 1696 O THR A 107 -5.311 2.466 -4.396 1.00 0.00 O ATOM 1697 CB THR A 107 -8.226 0.970 -4.527 1.00 0.00 C ATOM 1698 OG1 THR A 107 -9.097 0.236 -5.394 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.454 2.462 -4.717 1.00 0.00 C ATOM 0 H THR A 107 -7.250 -1.296 -4.063 1.00 0.00 H new ATOM 0 HA THR A 107 -6.541 0.795 -5.865 1.00 0.00 H new ATOM 0 HB THR A 107 -8.445 0.713 -3.491 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.028 0.477 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.497 2.700 -4.508 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.811 3.018 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.218 2.738 -5.745 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.681 1.047 -2.689 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.833 1.777 -1.755 1.00 0.00 C ATOM 1709 C ALA A 108 -3.369 1.708 -2.174 1.00 0.00 C ATOM 1710 O ALA A 108 -2.577 2.595 -1.849 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.008 1.230 -0.346 1.00 0.00 C ATOM 0 H ALA A 108 -6.121 0.214 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.138 2.824 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.369 1.784 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.049 1.338 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.732 0.176 -0.328 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.014 0.651 -2.895 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.643 0.466 -3.358 1.00 0.00 C ATOM 1719 C LEU A 109 -1.412 1.191 -4.680 1.00 0.00 C ATOM 1720 O LEU A 109 -0.497 2.004 -4.802 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.334 -1.023 -3.519 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.362 -1.857 -2.237 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.489 -3.336 -2.565 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.113 -1.599 -1.406 1.00 0.00 C ATOM 0 H LEU A 109 -3.656 -0.091 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.973 0.891 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.051 -1.449 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.347 -1.122 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.232 -1.560 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.507 -3.913 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.412 -3.508 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.639 -3.649 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.150 -2.200 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.771 -1.868 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.065 -0.543 -1.140 1.00 0.00 H new ATOM 1736 N MET A 110 -2.250 0.891 -5.667 1.00 0.00 N ATOM 1737 CA MET A 110 -2.139 1.516 -6.980 1.00 0.00 C ATOM 1738 C MET A 110 -2.073 3.035 -6.855 1.00 0.00 C ATOM 1739 O MET A 110 -1.308 3.691 -7.560 1.00 0.00 O ATOM 1740 CB MET A 110 -3.325 1.117 -7.861 1.00 0.00 C ATOM 1741 CG MET A 110 -3.181 -0.261 -8.486 1.00 0.00 C ATOM 1742 SD MET A 110 -2.218 -0.235 -10.010 1.00 0.00 S ATOM 1743 CE MET A 110 -0.744 -1.113 -9.495 1.00 0.00 C ATOM 0 H MET A 110 -3.013 0.219 -5.583 1.00 0.00 H new ATOM 0 HA MET A 110 -1.217 1.166 -7.444 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.236 1.142 -7.263 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.443 1.856 -8.654 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.705 -0.932 -7.771 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.171 -0.667 -8.693 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.099 -0.801 -10.111 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.533 -0.888 -8.450 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.900 -2.186 -9.611 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.880 3.586 -5.953 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.913 5.028 -5.738 1.00 0.00 C ATOM 1755 C GLU A 111 -1.547 5.542 -5.290 1.00 0.00 C ATOM 1756 O GLU A 111 -0.871 6.259 -6.026 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.972 5.386 -4.694 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.358 5.596 -5.280 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.460 6.872 -6.093 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.924 7.906 -5.643 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.076 6.836 -7.179 1.00 0.00 O ATOM 0 H GLU A 111 -3.519 3.056 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.170 5.505 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.018 4.592 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.665 6.294 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.614 4.746 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.089 5.625 -4.472 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.150 5.169 -4.078 1.00 0.00 N ATOM 1769 CA ALA A 112 0.134 5.591 -3.532 1.00 0.00 C ATOM 1770 C ALA A 112 1.263 5.338 -4.526 1.00 0.00 C ATOM 1771 O ALA A 112 2.130 6.188 -4.724 1.00 0.00 O ATOM 1772 CB ALA A 112 0.413 4.871 -2.221 1.00 0.00 C ATOM 0 H ALA A 112 -1.699 4.576 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 112 0.085 6.663 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.375 5.196 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.373 5.105 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.437 3.795 -2.395 1.00 0.00 H new ATOM 1778 N ASN A 113 1.245 4.164 -5.149 1.00 0.00 N ATOM 1779 CA ASN A 113 2.268 3.800 -6.122 1.00 0.00 C ATOM 1780 C ASN A 113 2.292 4.789 -7.283 1.00 0.00 C ATOM 1781 O ASN A 113 3.350 5.082 -7.841 1.00 0.00 O ATOM 1782 CB ASN A 113 2.020 2.385 -6.649 1.00 0.00 C ATOM 1783 CG ASN A 113 2.531 2.196 -8.064 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.716 2.384 -8.338 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.635 1.824 -8.971 1.00 0.00 N ATOM 0 H ASN A 113 0.534 3.449 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 113 3.236 3.830 -5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.506 1.665 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.951 2.172 -6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.919 1.683 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.663 1.680 -8.698 1.00 0.00 H new ATOM 1792 N SER A 114 1.119 5.302 -7.641 1.00 0.00 N ATOM 1793 CA SER A 114 1.004 6.256 -8.738 1.00 0.00 C ATOM 1794 C SER A 114 0.401 7.571 -8.252 1.00 0.00 C ATOM 1795 O SER A 114 -0.518 8.111 -8.868 1.00 0.00 O ATOM 1796 CB SER A 114 0.147 5.673 -9.862 1.00 0.00 C ATOM 1797 OG SER A 114 0.544 6.183 -11.123 1.00 0.00 O ATOM 0 H SER A 114 0.235 5.073 -7.187 1.00 0.00 H new ATOM 0 HA SER A 114 2.005 6.454 -9.121 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.232 4.586 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.902 5.910 -9.684 1.00 0.00 H new ATOM 0 HG SER A 114 -0.018 5.794 -11.825 1.00 0.00 H new ATOM 1803 N THR A 115 0.926 8.082 -7.143 1.00 0.00 N ATOM 1804 CA THR A 115 0.440 9.332 -6.573 1.00 0.00 C ATOM 1805 C THR A 115 1.468 9.942 -5.628 1.00 0.00 C ATOM 1806 O THR A 115 1.700 9.451 -4.523 1.00 0.00 O ATOM 1807 CB THR A 115 -0.882 9.125 -5.810 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.895 8.652 -6.704 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.340 10.421 -5.158 1.00 0.00 C ATOM 0 H THR A 115 1.688 7.649 -6.622 1.00 0.00 H new ATOM 0 HA THR A 115 0.268 10.013 -7.406 1.00 0.00 H new ATOM 0 HB THR A 115 -0.712 8.384 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.599 8.778 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.275 10.250 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.580 10.763 -4.456 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.493 11.180 -5.925 1.00 0.00 H new ATOM 1817 N PRO A 116 2.101 11.039 -6.069 1.00 0.00 N ATOM 1818 CA PRO A 116 3.115 11.741 -5.277 1.00 0.00 C ATOM 1819 C PRO A 116 2.517 12.453 -4.069 1.00 0.00 C ATOM 1820 O PRO A 116 1.331 12.304 -3.774 1.00 0.00 O ATOM 1821 CB PRO A 116 3.696 12.757 -6.264 1.00 0.00 C ATOM 1822 CG PRO A 116 2.608 12.987 -7.255 1.00 0.00 C ATOM 1823 CD PRO A 116 1.875 11.679 -7.376 1.00 0.00 C ATOM 0 HA PRO A 116 3.856 11.056 -4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.975 13.683 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.595 12.372 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.938 13.780 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.016 13.296 -8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.813 11.830 -7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.266 11.073 -8.193 1.00 0.00 H new