USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 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 113 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.3!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 93 HIS : no HD1:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.756 X(o=-0.76,f=-0.67) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.72 K(o=-2.7,f=-7.2!) USER MOD Single : A 36 THR OG1 : rot 88:sc= -0.456 USER MOD Single : A 39 TYR OH : rot 13:sc= -0.812 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -8.65! C(o=-12!,f=-8.6!) USER MOD Single : A 44 THR OG1 : rot 40:sc= 0.747 USER MOD Single : A 46 GLN : amide:sc= -0.449 K(o=-0.45,f=-2.7!) USER MOD Single : A 55 HIS : no HD1:sc= -0.742 X(o=-0.74,f=-0.87) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.599 F(o=-1.7!,f=-0.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 67 CYS SG : rot -160:sc= -1.28 USER MOD Single : A 77 SER OG : rot -167:sc= -0.15 USER MOD Single : A 85 ASN : amide:sc= -0.784 X(o=-0.78,f=-0.43) USER MOD Single : A 90 SER OG : rot 25:sc= 1.26 USER MOD Single : A 95 CYS SG : rot 9:sc= -2.08! 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 -173:sc= -1.13 (180deg=-1.22) USER MOD Single : A 115 THR OG1 : rot -12:sc= 0.648 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.223 6.294 8.708 1.00 0.00 N ATOM 67 CA LEU A 8 -0.789 4.989 8.386 1.00 0.00 C ATOM 68 C LEU A 8 -2.001 5.132 7.471 1.00 0.00 C ATOM 69 O LEU A 8 -2.852 5.996 7.681 1.00 0.00 O ATOM 70 CB LEU A 8 -1.188 4.255 9.667 1.00 0.00 C ATOM 71 CG LEU A 8 -1.947 2.941 9.479 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.009 1.848 8.990 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.623 2.525 10.777 1.00 0.00 C ATOM 0 HA LEU A 8 -0.028 4.409 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.284 4.050 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.803 4.924 10.269 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.718 3.094 8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.567 0.920 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.572 2.143 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.215 1.696 9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.158 1.588 10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.869 2.390 11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.326 3.299 11.085 1.00 0.00 H new ATOM 85 N VAL A 9 -2.073 4.278 6.455 1.00 0.00 N ATOM 86 CA VAL A 9 -3.182 4.306 5.509 1.00 0.00 C ATOM 87 C VAL A 9 -4.260 3.300 5.895 1.00 0.00 C ATOM 88 O VAL A 9 -5.404 3.671 6.158 1.00 0.00 O ATOM 89 CB VAL A 9 -2.704 4.006 4.075 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.853 4.149 3.089 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.549 4.920 3.696 1.00 0.00 C ATOM 0 H VAL A 9 -1.376 3.558 6.266 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.600 5.312 5.542 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.349 2.976 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.497 3.933 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.646 3.449 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.240 5.167 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.224 4.694 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.874 5.959 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.719 4.763 4.385 1.00 0.00 H new ATOM 101 N ARG A 10 -3.887 2.025 5.928 1.00 0.00 N ATOM 102 CA ARG A 10 -4.822 0.964 6.282 1.00 0.00 C ATOM 103 C ARG A 10 -4.089 -0.224 6.896 1.00 0.00 C ATOM 104 O ARG A 10 -2.875 -0.360 6.752 1.00 0.00 O ATOM 105 CB ARG A 10 -5.604 0.512 5.047 1.00 0.00 C ATOM 106 CG ARG A 10 -6.954 -0.105 5.373 1.00 0.00 C ATOM 107 CD ARG A 10 -7.662 -0.593 4.119 1.00 0.00 C ATOM 108 NE ARG A 10 -9.093 -0.786 4.338 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.980 0.202 4.313 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.586 1.446 4.079 1.00 0.00 N ATOM 111 NH2 ARG A 10 -11.266 -0.053 4.521 1.00 0.00 N ATOM 0 H ARG A 10 -2.944 1.702 5.714 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.519 1.360 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.755 1.368 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.007 -0.213 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.817 -0.938 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.578 0.630 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.512 0.127 3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.215 -1.532 3.793 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.430 -1.731 4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.599 1.647 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.270 2.203 4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.574 -1.009 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.946 0.707 4.502 1.00 0.00 H new ATOM 125 N GLY A 11 -4.836 -1.083 7.583 1.00 0.00 N ATOM 126 CA GLY A 11 -4.241 -2.249 8.210 1.00 0.00 C ATOM 127 C GLY A 11 -5.239 -3.371 8.414 1.00 0.00 C ATOM 128 O GLY A 11 -6.394 -3.129 8.759 1.00 0.00 O ATOM 0 H GLY A 11 -5.843 -0.992 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.417 -2.608 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.818 -1.964 9.173 1.00 0.00 H new ATOM 132 N GLY A 12 -4.792 -4.605 8.197 1.00 0.00 N ATOM 133 CA GLY A 12 -5.667 -5.750 8.363 1.00 0.00 C ATOM 134 C GLY A 12 -4.957 -7.065 8.105 1.00 0.00 C ATOM 135 O GLY A 12 -4.294 -7.229 7.081 1.00 0.00 O ATOM 0 H GLY A 12 -3.840 -4.831 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.071 -5.751 9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.514 -5.658 7.683 1.00 0.00 H new ATOM 139 N TRP A 13 -5.095 -8.001 9.036 1.00 0.00 N ATOM 140 CA TRP A 13 -4.459 -9.308 8.905 1.00 0.00 C ATOM 141 C TRP A 13 -4.765 -9.928 7.547 1.00 0.00 C ATOM 142 O TRP A 13 -5.904 -9.893 7.079 1.00 0.00 O ATOM 143 CB TRP A 13 -4.928 -10.240 10.023 1.00 0.00 C ATOM 144 CG TRP A 13 -4.298 -9.941 11.350 1.00 0.00 C ATOM 145 CD1 TRP A 13 -4.620 -8.920 12.198 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.237 -10.668 11.978 1.00 0.00 C ATOM 147 NE1 TRP A 13 -3.823 -8.969 13.316 1.00 0.00 N ATOM 148 CE2 TRP A 13 -2.966 -10.033 13.206 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.490 -11.795 11.624 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -1.981 -10.488 14.078 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.512 -12.245 12.491 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.265 -11.593 13.706 1.00 0.00 C ATOM 0 H TRP A 13 -5.641 -7.881 9.889 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.381 -9.170 8.985 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.011 -10.165 10.118 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.703 -11.270 9.746 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.388 -8.183 12.016 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -3.863 -8.319 14.101 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.674 -12.305 10.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.789 -9.987 15.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.928 -13.114 12.227 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.494 -11.970 14.362 1.00 0.00 H new ATOM 163 N LEU A 14 -3.743 -10.497 6.917 1.00 0.00 N ATOM 164 CA LEU A 14 -3.903 -11.126 5.611 1.00 0.00 C ATOM 165 C LEU A 14 -2.932 -12.290 5.444 1.00 0.00 C ATOM 166 O LEU A 14 -1.807 -12.250 5.944 1.00 0.00 O ATOM 167 CB LEU A 14 -3.683 -10.100 4.498 1.00 0.00 C ATOM 168 CG LEU A 14 -4.687 -8.948 4.438 1.00 0.00 C ATOM 169 CD1 LEU A 14 -4.075 -7.743 3.741 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.960 -9.387 3.730 1.00 0.00 C ATOM 0 H LEU A 14 -2.794 -10.536 7.290 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.920 -11.513 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.684 -9.679 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.702 -10.622 3.541 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.943 -8.660 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.804 -6.933 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.192 -7.415 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.790 -8.016 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.663 -8.555 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.721 -9.702 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.409 -10.220 4.272 1.00 0.00 H new ATOM 182 N TRP A 15 -3.373 -13.325 4.738 1.00 0.00 N ATOM 183 CA TRP A 15 -2.541 -14.500 4.504 1.00 0.00 C ATOM 184 C TRP A 15 -1.447 -14.199 3.485 1.00 0.00 C ATOM 185 O TRP A 15 -1.709 -13.614 2.434 1.00 0.00 O ATOM 186 CB TRP A 15 -3.399 -15.669 4.018 1.00 0.00 C ATOM 187 CG TRP A 15 -4.546 -15.984 4.931 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.803 -15.455 4.879 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.538 -16.900 6.031 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.578 -15.986 5.882 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.826 -16.875 6.602 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.570 -17.739 6.589 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -6.167 -17.657 7.703 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.910 -18.514 7.681 1.00 0.00 C ATOM 195 CH2 TRP A 15 -5.199 -18.470 8.229 1.00 0.00 C ATOM 0 H TRP A 15 -4.301 -13.375 4.318 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.068 -14.773 5.447 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.787 -15.438 3.026 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.771 -16.554 3.917 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.139 -14.726 4.156 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.555 -15.755 6.061 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.574 -17.781 6.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.160 -17.623 8.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.169 -19.165 8.120 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.433 -19.089 9.082 1.00 0.00 H new ATOM 206 N ARG A 16 -0.221 -14.601 3.803 1.00 0.00 N ATOM 207 CA ARG A 16 0.912 -14.373 2.915 1.00 0.00 C ATOM 208 C ARG A 16 1.560 -15.693 2.510 1.00 0.00 C ATOM 209 O ARG A 16 1.801 -16.560 3.349 1.00 0.00 O ATOM 210 CB ARG A 16 1.946 -13.473 3.594 1.00 0.00 C ATOM 211 CG ARG A 16 3.233 -13.318 2.801 1.00 0.00 C ATOM 212 CD ARG A 16 4.350 -12.743 3.659 1.00 0.00 C ATOM 213 NE ARG A 16 5.483 -12.294 2.853 1.00 0.00 N ATOM 214 CZ ARG A 16 6.450 -13.101 2.431 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.421 -14.391 2.736 1.00 0.00 N ATOM 216 NH2 ARG A 16 7.448 -12.618 1.702 1.00 0.00 N ATOM 0 H ARG A 16 0.013 -15.086 4.669 1.00 0.00 H new ATOM 0 HA ARG A 16 0.543 -13.878 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.508 -12.488 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.182 -13.882 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.538 -14.287 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.058 -12.666 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.965 -11.906 4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.687 -13.498 4.369 1.00 0.00 H new ATOM 0 HE ARG A 16 5.534 -11.307 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.655 -14.766 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.165 -15.009 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.473 -11.626 1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.190 -13.239 1.378 1.00 0.00 H new ATOM 230 N GLN A 17 1.838 -15.838 1.218 1.00 0.00 N ATOM 231 CA GLN A 17 2.457 -17.053 0.702 1.00 0.00 C ATOM 232 C GLN A 17 3.899 -16.793 0.280 1.00 0.00 C ATOM 233 O GLN A 17 4.276 -15.658 -0.011 1.00 0.00 O ATOM 234 CB GLN A 17 1.656 -17.594 -0.484 1.00 0.00 C ATOM 235 CG GLN A 17 2.219 -18.883 -1.061 1.00 0.00 C ATOM 236 CD GLN A 17 1.185 -19.676 -1.836 1.00 0.00 C ATOM 237 OE1 GLN A 17 0.939 -20.847 -1.545 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.573 -19.041 -2.828 1.00 0.00 N ATOM 0 H GLN A 17 1.644 -15.130 0.510 1.00 0.00 H new ATOM 0 HA GLN A 17 2.460 -17.796 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.627 -17.766 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.627 -16.837 -1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.057 -18.647 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.611 -19.498 -0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.808 -18.070 -3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.133 -19.524 -3.384 1.00 0.00 H new ATOM 331 N ARG A 23 3.696 -21.866 0.961 1.00 0.00 N ATOM 332 CA ARG A 23 2.724 -22.025 2.035 1.00 0.00 C ATOM 333 C ARG A 23 2.250 -20.667 2.545 1.00 0.00 C ATOM 334 O ARG A 23 3.044 -19.739 2.700 1.00 0.00 O ATOM 335 CB ARG A 23 3.331 -22.830 3.186 1.00 0.00 C ATOM 336 CG ARG A 23 2.308 -23.629 3.977 1.00 0.00 C ATOM 337 CD ARG A 23 1.720 -22.809 5.115 1.00 0.00 C ATOM 338 NE ARG A 23 1.245 -23.653 6.208 1.00 0.00 N ATOM 339 CZ ARG A 23 0.045 -24.222 6.229 1.00 0.00 C ATOM 340 NH1 ARG A 23 -0.797 -24.039 5.221 1.00 0.00 N ATOM 341 NH2 ARG A 23 -0.315 -24.977 7.260 1.00 0.00 N ATOM 0 HA ARG A 23 1.865 -22.564 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.081 -23.512 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.848 -22.149 3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.509 -23.957 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.778 -24.527 4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.474 -22.118 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.895 -22.205 4.738 1.00 0.00 H new ATOM 0 HE ARG A 23 1.869 -23.814 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.524 -23.460 4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.718 -24.477 5.240 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.330 -25.121 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.237 -25.414 7.275 1.00 0.00 H new ATOM 355 N TRP A 24 0.951 -20.558 2.802 1.00 0.00 N ATOM 356 CA TRP A 24 0.371 -19.314 3.294 1.00 0.00 C ATOM 357 C TRP A 24 0.550 -19.188 4.803 1.00 0.00 C ATOM 358 O TRP A 24 0.582 -20.189 5.520 1.00 0.00 O ATOM 359 CB TRP A 24 -1.114 -19.243 2.936 1.00 0.00 C ATOM 360 CG TRP A 24 -1.370 -19.248 1.460 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.426 -20.340 0.641 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.604 -18.108 0.626 1.00 0.00 C ATOM 363 NE1 TRP A 24 -1.680 -19.947 -0.651 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.794 -18.583 -0.686 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.672 -16.732 0.861 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.047 -17.729 -1.757 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.923 -15.886 -0.203 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.108 -16.387 -1.498 1.00 0.00 C ATOM 0 H TRP A 24 0.280 -21.316 2.678 1.00 0.00 H new ATOM 0 HA TRP A 24 0.893 -18.485 2.815 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.631 -20.089 3.390 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.542 -18.339 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.291 -21.362 0.962 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.769 -20.570 -1.454 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.531 -16.337 1.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.190 -18.113 -2.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.977 -14.821 -0.033 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.303 -15.700 -2.308 1.00 0.00 H new ATOM 379 N LYS A 25 0.666 -17.954 5.280 1.00 0.00 N ATOM 380 CA LYS A 25 0.840 -17.697 6.705 1.00 0.00 C ATOM 381 C LYS A 25 0.225 -16.357 7.095 1.00 0.00 C ATOM 382 O LYS A 25 0.365 -15.366 6.377 1.00 0.00 O ATOM 383 CB LYS A 25 2.327 -17.713 7.069 1.00 0.00 C ATOM 384 CG LYS A 25 3.142 -16.657 6.343 1.00 0.00 C ATOM 385 CD LYS A 25 4.594 -17.079 6.194 1.00 0.00 C ATOM 386 CE LYS A 25 5.371 -16.870 7.485 1.00 0.00 C ATOM 387 NZ LYS A 25 6.645 -17.640 7.497 1.00 0.00 N ATOM 0 H LYS A 25 0.643 -17.115 4.700 1.00 0.00 H new ATOM 0 HA LYS A 25 0.328 -18.486 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.431 -17.565 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.738 -18.697 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.711 -16.477 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.090 -15.716 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.641 -18.129 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.060 -16.507 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.587 -15.809 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.756 -17.173 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.145 -17.471 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.438 -18.655 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.244 -17.333 6.704 1.00 0.00 H new ATOM 401 N ARG A 26 -0.455 -16.333 8.237 1.00 0.00 N ATOM 402 CA ARG A 26 -1.091 -15.114 8.722 1.00 0.00 C ATOM 403 C ARG A 26 -0.045 -14.085 9.142 1.00 0.00 C ATOM 404 O ARG A 26 0.860 -14.386 9.919 1.00 0.00 O ATOM 405 CB ARG A 26 -2.013 -15.430 9.902 1.00 0.00 C ATOM 406 CG ARG A 26 -3.439 -15.757 9.489 1.00 0.00 C ATOM 407 CD ARG A 26 -4.143 -16.599 10.541 1.00 0.00 C ATOM 408 NE ARG A 26 -4.546 -15.804 11.698 1.00 0.00 N ATOM 409 CZ ARG A 26 -4.958 -16.333 12.845 1.00 0.00 C ATOM 410 NH1 ARG A 26 -5.021 -17.649 12.988 1.00 0.00 N ATOM 411 NH2 ARG A 26 -5.308 -15.544 13.853 1.00 0.00 N ATOM 0 H ARG A 26 -0.580 -17.144 8.843 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.683 -14.694 7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.602 -16.273 10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.027 -14.577 10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.994 -14.833 9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.431 -16.291 8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.022 -17.069 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.481 -17.402 10.866 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.509 -14.788 11.621 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.753 -18.259 12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.338 -18.052 13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.261 -14.531 13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.624 -15.951 14.733 1.00 0.00 H new ATOM 425 N ASN A 27 -0.176 -12.869 8.620 1.00 0.00 N ATOM 426 CA ASN A 27 0.758 -11.796 8.940 1.00 0.00 C ATOM 427 C ASN A 27 0.069 -10.436 8.866 1.00 0.00 C ATOM 428 O ASN A 27 -0.855 -10.239 8.077 1.00 0.00 O ATOM 429 CB ASN A 27 1.951 -11.829 7.983 1.00 0.00 C ATOM 430 CG ASN A 27 2.976 -12.876 8.372 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.700 -14.076 8.332 1.00 0.00 O ATOM 432 ND2 ASN A 27 4.166 -12.427 8.752 1.00 0.00 N ATOM 0 H ASN A 27 -0.919 -12.603 7.974 1.00 0.00 H new ATOM 0 HA ASN A 27 1.114 -11.948 9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.597 -12.030 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.426 -10.848 7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.896 -13.085 9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.351 -11.424 8.770 1.00 0.00 H new ATOM 439 N TRP A 28 0.527 -9.502 9.691 1.00 0.00 N ATOM 440 CA TRP A 28 -0.044 -8.160 9.719 1.00 0.00 C ATOM 441 C TRP A 28 0.604 -7.271 8.664 1.00 0.00 C ATOM 442 O TRP A 28 1.829 -7.209 8.558 1.00 0.00 O ATOM 443 CB TRP A 28 0.131 -7.538 11.106 1.00 0.00 C ATOM 444 CG TRP A 28 -0.138 -6.064 11.133 1.00 0.00 C ATOM 445 CD1 TRP A 28 0.789 -5.062 11.090 1.00 0.00 C ATOM 446 CD2 TRP A 28 -1.418 -5.427 11.212 1.00 0.00 C ATOM 447 NE1 TRP A 28 0.162 -3.840 11.137 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.192 -4.037 11.212 1.00 0.00 C ATOM 449 CE3 TRP A 28 -2.732 -5.896 11.281 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -2.232 -3.114 11.279 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -3.764 -4.979 11.348 1.00 0.00 C ATOM 452 CH2 TRP A 28 -3.509 -3.601 11.346 1.00 0.00 C ATOM 0 H TRP A 28 1.292 -9.649 10.350 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.108 -8.240 9.496 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.539 -8.036 11.807 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.148 -7.721 11.453 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.857 -5.208 11.028 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.629 -2.933 11.119 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.938 -6.956 11.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.038 -2.052 11.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.784 -5.330 11.403 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.337 -2.910 11.398 1.00 0.00 H new ATOM 463 N PHE A 29 -0.224 -6.584 7.885 1.00 0.00 N ATOM 464 CA PHE A 29 0.269 -5.698 6.837 1.00 0.00 C ATOM 465 C PHE A 29 -0.252 -4.277 7.036 1.00 0.00 C ATOM 466 O PHE A 29 -1.434 -4.071 7.312 1.00 0.00 O ATOM 467 CB PHE A 29 -0.149 -6.219 5.461 1.00 0.00 C ATOM 468 CG PHE A 29 0.717 -7.336 4.954 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.472 -8.646 5.331 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.777 -7.075 4.101 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.268 -9.677 4.866 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.576 -8.102 3.632 1.00 0.00 C ATOM 473 CZ PHE A 29 2.322 -9.404 4.017 1.00 0.00 C ATOM 0 H PHE A 29 -1.240 -6.624 7.960 1.00 0.00 H new ATOM 0 HA PHE A 29 1.357 -5.678 6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.182 -6.565 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.122 -5.396 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.350 -8.865 5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.982 -6.059 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.065 -10.694 5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.398 -7.886 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.947 -10.207 3.655 1.00 0.00 H new ATOM 483 N ALA A 30 0.638 -3.301 6.893 1.00 0.00 N ATOM 484 CA ALA A 30 0.269 -1.901 7.056 1.00 0.00 C ATOM 485 C ALA A 30 0.994 -1.021 6.042 1.00 0.00 C ATOM 486 O ALA A 30 2.178 -1.221 5.766 1.00 0.00 O ATOM 487 CB ALA A 30 0.571 -1.436 8.472 1.00 0.00 C ATOM 0 H ALA A 30 1.620 -3.454 6.664 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.802 -1.810 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.290 -0.388 8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.003 -2.038 9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.637 -1.548 8.672 1.00 0.00 H new ATOM 493 N LEU A 31 0.278 -0.048 5.491 1.00 0.00 N ATOM 494 CA LEU A 31 0.853 0.863 4.507 1.00 0.00 C ATOM 495 C LEU A 31 1.220 2.197 5.149 1.00 0.00 C ATOM 496 O LEU A 31 0.609 2.611 6.135 1.00 0.00 O ATOM 497 CB LEU A 31 -0.130 1.090 3.358 1.00 0.00 C ATOM 498 CG LEU A 31 0.283 2.132 2.318 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.537 1.685 1.584 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.852 2.383 1.335 1.00 0.00 C ATOM 0 H LEU A 31 -0.702 0.131 5.709 1.00 0.00 H new ATOM 0 HA LEU A 31 1.762 0.408 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.288 0.140 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.089 1.388 3.781 1.00 0.00 H new ATOM 0 HG LEU A 31 0.503 3.066 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.816 2.439 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.350 1.557 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.345 0.738 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.541 3.127 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.103 1.453 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.726 2.748 1.874 1.00 0.00 H new ATOM 512 N TRP A 32 2.218 2.865 4.583 1.00 0.00 N ATOM 513 CA TRP A 32 2.664 4.154 5.099 1.00 0.00 C ATOM 514 C TRP A 32 2.523 5.243 4.041 1.00 0.00 C ATOM 515 O TRP A 32 2.496 4.958 2.843 1.00 0.00 O ATOM 516 CB TRP A 32 4.118 4.065 5.565 1.00 0.00 C ATOM 517 CG TRP A 32 4.343 3.017 6.613 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.998 1.829 6.458 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.910 3.064 7.977 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.999 1.134 7.643 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.338 1.870 8.591 1.00 0.00 C ATOM 522 CE3 TRP A 32 3.203 3.998 8.740 1.00 0.00 C ATOM 523 CZ2 TRP A 32 4.082 1.589 9.930 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.949 3.716 10.069 1.00 0.00 C ATOM 525 CH2 TRP A 32 3.388 2.521 10.653 1.00 0.00 C ATOM 0 H TRP A 32 2.734 2.536 3.767 1.00 0.00 H new ATOM 0 HA TRP A 32 2.033 4.415 5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.755 3.852 4.706 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.426 5.034 5.958 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.449 1.486 5.539 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.423 0.219 7.793 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.862 4.923 8.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.419 0.668 10.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.402 4.430 10.668 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.175 2.331 11.695 1.00 0.00 H new ATOM 536 N LEU A 33 2.433 6.490 4.489 1.00 0.00 N ATOM 537 CA LEU A 33 2.294 7.622 3.580 1.00 0.00 C ATOM 538 C LEU A 33 3.627 7.955 2.918 1.00 0.00 C ATOM 539 O LEU A 33 3.671 8.646 1.900 1.00 0.00 O ATOM 540 CB LEU A 33 1.766 8.845 4.333 1.00 0.00 C ATOM 541 CG LEU A 33 0.421 8.669 5.038 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.354 9.977 5.044 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.392 7.569 4.371 1.00 0.00 C ATOM 0 H LEU A 33 2.454 6.743 5.477 1.00 0.00 H new ATOM 0 HA LEU A 33 1.582 7.346 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.508 9.137 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.679 9.671 3.628 1.00 0.00 H new ATOM 0 HG LEU A 33 0.610 8.378 6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.309 9.832 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.223 10.739 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.532 10.299 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.346 7.458 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.571 7.830 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.158 6.629 4.420 1.00 0.00 H new ATOM 555 N ASP A 34 4.712 7.458 3.502 1.00 0.00 N ATOM 556 CA ASP A 34 6.047 7.700 2.967 1.00 0.00 C ATOM 557 C ASP A 34 6.369 6.718 1.845 1.00 0.00 C ATOM 558 O ASP A 34 7.533 6.504 1.509 1.00 0.00 O ATOM 559 CB ASP A 34 7.093 7.586 4.077 1.00 0.00 C ATOM 560 CG ASP A 34 6.929 8.656 5.139 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.413 9.745 4.809 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.316 8.404 6.299 1.00 0.00 O ATOM 0 H ASP A 34 4.693 6.885 4.346 1.00 0.00 H new ATOM 0 HA ASP A 34 6.070 8.710 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.020 6.603 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.090 7.660 3.642 1.00 0.00 H new ATOM 567 N GLY A 35 5.329 6.122 1.270 1.00 0.00 N ATOM 568 CA GLY A 35 5.522 5.168 0.193 1.00 0.00 C ATOM 569 C GLY A 35 6.333 3.962 0.625 1.00 0.00 C ATOM 570 O GLY A 35 7.395 3.685 0.066 1.00 0.00 O ATOM 0 H GLY A 35 4.356 6.283 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.550 4.836 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.025 5.661 -0.639 1.00 0.00 H new ATOM 574 N THR A 36 5.834 3.243 1.626 1.00 0.00 N ATOM 575 CA THR A 36 6.521 2.062 2.134 1.00 0.00 C ATOM 576 C THR A 36 5.530 1.049 2.695 1.00 0.00 C ATOM 577 O THR A 36 4.570 1.415 3.376 1.00 0.00 O ATOM 578 CB THR A 36 7.536 2.432 3.232 1.00 0.00 C ATOM 579 OG1 THR A 36 6.909 3.256 4.222 1.00 0.00 O ATOM 580 CG2 THR A 36 8.732 3.163 2.640 1.00 0.00 C ATOM 0 H THR A 36 4.957 3.458 2.101 1.00 0.00 H new ATOM 0 HA THR A 36 7.053 1.619 1.292 1.00 0.00 H new ATOM 0 HB THR A 36 7.887 1.510 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.502 2.689 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.435 3.414 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.225 2.522 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.394 4.077 2.152 1.00 0.00 H new ATOM 588 N LEU A 37 5.767 -0.226 2.407 1.00 0.00 N ATOM 589 CA LEU A 37 4.894 -1.294 2.883 1.00 0.00 C ATOM 590 C LEU A 37 5.653 -2.248 3.799 1.00 0.00 C ATOM 591 O LEU A 37 6.526 -2.992 3.352 1.00 0.00 O ATOM 592 CB LEU A 37 4.305 -2.064 1.700 1.00 0.00 C ATOM 593 CG LEU A 37 3.116 -2.972 2.016 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.905 -2.146 2.418 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.789 -3.857 0.822 1.00 0.00 C ATOM 0 H LEU A 37 6.557 -0.546 1.846 1.00 0.00 H new ATOM 0 HA LEU A 37 4.083 -0.841 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.996 -1.345 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.094 -2.673 1.259 1.00 0.00 H new ATOM 0 HG LEU A 37 3.386 -3.613 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.069 -2.810 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.144 -1.557 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.632 -1.479 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.940 -4.497 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.539 -3.233 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.653 -4.476 0.581 1.00 0.00 H new ATOM 607 N GLY A 38 5.313 -2.224 5.084 1.00 0.00 N ATOM 608 CA GLY A 38 5.970 -3.093 6.043 1.00 0.00 C ATOM 609 C GLY A 38 4.991 -3.975 6.792 1.00 0.00 C ATOM 610 O GLY A 38 3.895 -3.538 7.145 1.00 0.00 O ATOM 0 H GLY A 38 4.594 -1.618 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.695 -3.720 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.527 -2.486 6.757 1.00 0.00 H new ATOM 614 N TYR A 39 5.384 -5.221 7.033 1.00 0.00 N ATOM 615 CA TYR A 39 4.532 -6.168 7.741 1.00 0.00 C ATOM 616 C TYR A 39 5.214 -6.674 9.008 1.00 0.00 C ATOM 617 O TYR A 39 6.441 -6.670 9.110 1.00 0.00 O ATOM 618 CB TYR A 39 4.179 -7.347 6.832 1.00 0.00 C ATOM 619 CG TYR A 39 5.364 -7.904 6.076 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.740 -7.373 4.847 1.00 0.00 C ATOM 621 CD2 TYR A 39 6.107 -8.960 6.588 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.822 -7.879 4.152 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.191 -9.471 5.900 1.00 0.00 C ATOM 624 CZ TYR A 39 7.544 -8.927 4.683 1.00 0.00 C ATOM 625 OH TYR A 39 8.622 -9.434 3.994 1.00 0.00 O ATOM 0 H TYR A 39 6.288 -5.598 6.748 1.00 0.00 H new ATOM 0 HA TYR A 39 3.616 -5.651 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.738 -8.141 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.419 -7.030 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.177 -6.552 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.833 -9.389 7.540 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.101 -7.456 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.759 -10.292 6.313 1.00 0.00 H new ATOM 0 HH TYR A 39 8.864 -8.822 3.268 1.00 0.00 H new ATOM 635 N TYR A 40 4.410 -7.111 9.971 1.00 0.00 N ATOM 636 CA TYR A 40 4.935 -7.619 11.233 1.00 0.00 C ATOM 637 C TYR A 40 4.234 -8.914 11.632 1.00 0.00 C ATOM 638 O TYR A 40 3.170 -9.245 11.108 1.00 0.00 O ATOM 639 CB TYR A 40 4.767 -6.574 12.337 1.00 0.00 C ATOM 640 CG TYR A 40 5.334 -5.218 11.979 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.796 -4.472 10.937 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.407 -4.684 12.681 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.311 -3.234 10.606 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.927 -3.446 12.358 1.00 0.00 C ATOM 645 CZ TYR A 40 6.375 -2.725 11.319 1.00 0.00 C ATOM 646 OH TYR A 40 6.891 -1.491 10.993 1.00 0.00 O ATOM 0 H TYR A 40 3.392 -7.124 9.902 1.00 0.00 H new ATOM 0 HA TYR A 40 5.996 -7.828 11.098 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.707 -6.466 12.565 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.253 -6.934 13.244 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.961 -4.867 10.377 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.842 -5.247 13.494 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.882 -2.668 9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.761 -3.045 12.915 1.00 0.00 H new ATOM 0 HH TYR A 40 7.636 -1.279 11.593 1.00 0.00 H new ATOM 656 N HIS A 41 4.839 -9.643 12.565 1.00 0.00 N ATOM 657 CA HIS A 41 4.274 -10.902 13.037 1.00 0.00 C ATOM 658 C HIS A 41 2.829 -10.713 13.489 1.00 0.00 C ATOM 659 O HIS A 41 1.939 -11.461 13.083 1.00 0.00 O ATOM 660 CB HIS A 41 5.111 -11.462 14.187 1.00 0.00 C ATOM 661 CG HIS A 41 5.153 -10.568 15.388 1.00 0.00 C ATOM 662 ND1 HIS A 41 5.457 -9.254 15.503 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 4.861 -11.005 16.662 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 5.343 -8.924 16.831 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 4.982 -9.999 17.509 1.00 0.00 N flip ATOM 0 H HIS A 41 5.720 -9.383 13.009 1.00 0.00 H new ATOM 0 HA HIS A 41 4.288 -11.611 12.209 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.708 -12.432 14.480 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.129 -11.632 13.835 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.577 -12.013 16.926 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.520 -7.945 17.252 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.824 -10.044 18.516 1.00 0.00 H new ATOM 674 N ASP A 42 2.604 -9.710 14.330 1.00 0.00 N ATOM 675 CA ASP A 42 1.267 -9.423 14.837 1.00 0.00 C ATOM 676 C ASP A 42 0.877 -7.976 14.551 1.00 0.00 C ATOM 677 O ASP A 42 1.653 -7.217 13.973 1.00 0.00 O ATOM 678 CB ASP A 42 1.199 -9.695 16.340 1.00 0.00 C ATOM 679 CG ASP A 42 2.322 -9.019 17.102 1.00 0.00 C ATOM 680 OD1 ASP A 42 2.956 -8.105 16.536 1.00 0.00 O ATOM 681 OD2 ASP A 42 2.568 -9.406 18.264 1.00 0.00 O ATOM 0 H ASP A 42 3.330 -9.082 14.675 1.00 0.00 H new ATOM 0 HA ASP A 42 0.562 -10.079 14.325 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.241 -9.347 16.726 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.241 -10.770 16.514 1.00 0.00 H new ATOM 686 N GLU A 43 -0.332 -7.603 14.958 1.00 0.00 N ATOM 687 CA GLU A 43 -0.826 -6.248 14.744 1.00 0.00 C ATOM 688 C GLU A 43 0.103 -5.222 15.387 1.00 0.00 C ATOM 689 O GLU A 43 0.345 -4.151 14.830 1.00 0.00 O ATOM 690 CB GLU A 43 -2.239 -6.099 15.312 1.00 0.00 C ATOM 691 CG GLU A 43 -2.351 -6.498 16.774 1.00 0.00 C ATOM 692 CD GLU A 43 -3.621 -5.983 17.423 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.205 -5.012 16.896 1.00 0.00 O ATOM 694 OE2 GLU A 43 -4.032 -6.550 18.457 1.00 0.00 O ATOM 0 H GLU A 43 -0.987 -8.220 15.438 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.854 -6.065 13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.559 -5.063 15.201 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.924 -6.709 14.724 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.322 -7.585 16.854 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.488 -6.115 17.319 1.00 0.00 H new ATOM 701 N THR A 44 0.622 -5.558 16.564 1.00 0.00 N ATOM 702 CA THR A 44 1.523 -4.668 17.284 1.00 0.00 C ATOM 703 C THR A 44 2.891 -4.608 16.613 1.00 0.00 C ATOM 704 O THR A 44 3.791 -5.377 16.949 1.00 0.00 O ATOM 705 CB THR A 44 1.701 -5.113 18.748 1.00 0.00 C ATOM 706 OG1 THR A 44 2.133 -6.478 18.796 1.00 0.00 O ATOM 707 CG2 THR A 44 0.401 -4.959 19.522 1.00 0.00 C ATOM 0 H THR A 44 0.433 -6.441 17.039 1.00 0.00 H new ATOM 0 HA THR A 44 1.069 -3.677 17.265 1.00 0.00 H new ATOM 0 HB THR A 44 2.457 -4.477 19.209 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.784 -6.640 18.082 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.551 -5.279 20.553 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.091 -3.914 19.508 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.372 -5.573 19.060 1.00 0.00 H new ATOM 715 N ALA A 45 3.039 -3.690 15.664 1.00 0.00 N ATOM 716 CA ALA A 45 4.298 -3.529 14.947 1.00 0.00 C ATOM 717 C ALA A 45 5.480 -3.520 15.910 1.00 0.00 C ATOM 718 O ALA A 45 5.862 -2.470 16.428 1.00 0.00 O ATOM 719 CB ALA A 45 4.276 -2.250 14.123 1.00 0.00 C ATOM 0 H ALA A 45 2.303 -3.046 15.374 1.00 0.00 H new ATOM 0 HA ALA A 45 4.417 -4.379 14.275 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.222 -2.142 13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.459 -2.295 13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.130 -1.395 14.783 1.00 0.00 H new ATOM 725 N GLN A 46 6.055 -4.695 16.147 1.00 0.00 N ATOM 726 CA GLN A 46 7.193 -4.821 17.049 1.00 0.00 C ATOM 727 C GLN A 46 8.327 -5.599 16.391 1.00 0.00 C ATOM 728 O GLN A 46 9.487 -5.193 16.448 1.00 0.00 O ATOM 729 CB GLN A 46 6.768 -5.514 18.346 1.00 0.00 C ATOM 730 CG GLN A 46 5.830 -4.679 19.202 1.00 0.00 C ATOM 731 CD GLN A 46 6.516 -3.474 19.815 1.00 0.00 C ATOM 732 OE1 GLN A 46 7.687 -3.207 19.544 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.788 -2.738 20.647 1.00 0.00 N ATOM 0 H GLN A 46 5.751 -5.573 15.727 1.00 0.00 H new ATOM 0 HA GLN A 46 7.553 -3.819 17.281 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.280 -6.457 18.101 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.658 -5.757 18.927 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.991 -4.344 18.593 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.419 -5.301 19.997 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.821 -2.996 20.843 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.196 -1.915 21.090 1.00 0.00 H new ATOM 742 N ASP A 47 7.983 -6.720 15.766 1.00 0.00 N ATOM 743 CA ASP A 47 8.972 -7.556 15.095 1.00 0.00 C ATOM 744 C ASP A 47 9.065 -7.205 13.614 1.00 0.00 C ATOM 745 O ASP A 47 8.486 -7.885 12.768 1.00 0.00 O ATOM 746 CB ASP A 47 8.618 -9.035 15.260 1.00 0.00 C ATOM 747 CG ASP A 47 9.719 -9.952 14.767 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.094 -9.844 13.581 1.00 0.00 O ATOM 749 OD2 ASP A 47 10.206 -10.779 15.567 1.00 0.00 O ATOM 0 H ASP A 47 7.027 -7.071 15.710 1.00 0.00 H new ATOM 0 HA ASP A 47 9.942 -7.369 15.556 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.420 -9.243 16.311 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.699 -9.249 14.714 1.00 0.00 H new ATOM 754 N GLU A 48 9.797 -6.138 13.308 1.00 0.00 N ATOM 755 CA GLU A 48 9.964 -5.696 11.929 1.00 0.00 C ATOM 756 C GLU A 48 10.401 -6.854 11.036 1.00 0.00 C ATOM 757 O GLU A 48 11.592 -7.135 10.906 1.00 0.00 O ATOM 758 CB GLU A 48 10.990 -4.563 11.853 1.00 0.00 C ATOM 759 CG GLU A 48 11.077 -3.911 10.483 1.00 0.00 C ATOM 760 CD GLU A 48 11.721 -2.539 10.530 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.662 -2.354 11.330 1.00 0.00 O ATOM 762 OE2 GLU A 48 11.285 -1.652 9.768 1.00 0.00 O ATOM 0 H GLU A 48 10.284 -5.564 13.997 1.00 0.00 H new ATOM 0 HA GLU A 48 9.001 -5.328 11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.735 -3.803 12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.971 -4.954 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.649 -4.554 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.075 -3.824 10.062 1.00 0.00 H new ATOM 769 N GLU A 49 9.429 -7.521 10.423 1.00 0.00 N ATOM 770 CA GLU A 49 9.713 -8.649 9.544 1.00 0.00 C ATOM 771 C GLU A 49 10.432 -8.185 8.280 1.00 0.00 C ATOM 772 O GLU A 49 11.443 -8.763 7.880 1.00 0.00 O ATOM 773 CB GLU A 49 8.418 -9.373 9.171 1.00 0.00 C ATOM 774 CG GLU A 49 8.609 -10.853 8.884 1.00 0.00 C ATOM 775 CD GLU A 49 9.350 -11.572 9.995 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.729 -11.843 11.044 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.551 -11.863 9.814 1.00 0.00 O ATOM 0 H GLU A 49 8.438 -7.300 10.519 1.00 0.00 H new ATOM 0 HA GLU A 49 10.364 -9.339 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.701 -9.259 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.984 -8.894 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.635 -11.320 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.159 -10.970 7.950 1.00 0.00 H new ATOM 784 N ASP A 50 9.902 -7.139 7.655 1.00 0.00 N ATOM 785 CA ASP A 50 10.492 -6.597 6.437 1.00 0.00 C ATOM 786 C ASP A 50 9.824 -5.281 6.049 1.00 0.00 C ATOM 787 O ASP A 50 8.855 -4.857 6.678 1.00 0.00 O ATOM 788 CB ASP A 50 10.366 -7.604 5.292 1.00 0.00 C ATOM 789 CG ASP A 50 11.498 -7.485 4.290 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.652 -7.283 4.721 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.229 -7.594 3.075 1.00 0.00 O ATOM 0 H ASP A 50 9.065 -6.650 7.972 1.00 0.00 H new ATOM 0 HA ASP A 50 11.548 -6.406 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.351 -8.614 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.415 -7.452 4.781 1.00 0.00 H new ATOM 796 N ARG A 51 10.350 -4.640 5.010 1.00 0.00 N ATOM 797 CA ARG A 51 9.807 -3.372 4.540 1.00 0.00 C ATOM 798 C ARG A 51 10.149 -3.145 3.071 1.00 0.00 C ATOM 799 O ARG A 51 11.315 -3.196 2.678 1.00 0.00 O ATOM 800 CB ARG A 51 10.349 -2.216 5.385 1.00 0.00 C ATOM 801 CG ARG A 51 9.721 -0.873 5.053 1.00 0.00 C ATOM 802 CD ARG A 51 10.473 0.272 5.713 1.00 0.00 C ATOM 803 NE ARG A 51 11.794 0.471 5.124 1.00 0.00 N ATOM 804 CZ ARG A 51 12.737 1.230 5.671 1.00 0.00 C ATOM 805 NH1 ARG A 51 12.505 1.858 6.816 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.915 1.362 5.075 1.00 0.00 N ATOM 0 H ARG A 51 11.152 -4.979 4.478 1.00 0.00 H new ATOM 0 HA ARG A 51 8.722 -3.410 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.179 -2.437 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.428 -2.148 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.714 -0.730 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.682 -0.865 5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.892 1.189 5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.578 0.070 6.779 1.00 0.00 H new ATOM 0 HE ARG A 51 12.005 0.001 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.601 1.759 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.230 2.440 7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.098 0.880 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.638 1.945 5.497 1.00 0.00 H new ATOM 820 N VAL A 52 9.124 -2.895 2.262 1.00 0.00 N ATOM 821 CA VAL A 52 9.315 -2.660 0.836 1.00 0.00 C ATOM 822 C VAL A 52 8.853 -1.261 0.443 1.00 0.00 C ATOM 823 O VAL A 52 8.246 -0.548 1.242 1.00 0.00 O ATOM 824 CB VAL A 52 8.554 -3.697 -0.011 1.00 0.00 C ATOM 825 CG1 VAL A 52 9.036 -5.104 0.308 1.00 0.00 C ATOM 826 CG2 VAL A 52 7.055 -3.573 0.217 1.00 0.00 C ATOM 0 H VAL A 52 8.153 -2.850 2.570 1.00 0.00 H new ATOM 0 HA VAL A 52 10.383 -2.755 0.640 1.00 0.00 H new ATOM 0 HB VAL A 52 8.756 -3.500 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.487 -5.823 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.101 -5.182 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.866 -5.316 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.532 -4.313 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.832 -3.743 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.725 -2.574 -0.067 1.00 0.00 H new ATOM 836 N VAL A 53 9.145 -0.874 -0.795 1.00 0.00 N ATOM 837 CA VAL A 53 8.759 0.440 -1.296 1.00 0.00 C ATOM 838 C VAL A 53 7.476 0.359 -2.116 1.00 0.00 C ATOM 839 O VAL A 53 7.311 -0.538 -2.943 1.00 0.00 O ATOM 840 CB VAL A 53 9.871 1.060 -2.163 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.476 2.456 -2.620 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.186 1.092 -1.399 1.00 0.00 C ATOM 0 H VAL A 53 9.647 -1.452 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 53 8.592 1.074 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 53 10.007 0.439 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.274 2.878 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.559 2.401 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.311 3.091 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.961 1.533 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.067 1.689 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.474 0.076 -1.127 1.00 0.00 H new ATOM 852 N ILE A 54 6.571 1.303 -1.882 1.00 0.00 N ATOM 853 CA ILE A 54 5.303 1.340 -2.600 1.00 0.00 C ATOM 854 C ILE A 54 5.310 2.424 -3.673 1.00 0.00 C ATOM 855 O ILE A 54 4.805 2.223 -4.778 1.00 0.00 O ATOM 856 CB ILE A 54 4.121 1.588 -1.644 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.959 0.409 -0.683 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.840 1.815 -2.433 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.722 -0.912 -1.382 1.00 0.00 C ATOM 0 H ILE A 54 6.692 2.052 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 54 5.180 0.365 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 54 4.328 2.484 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.853 0.329 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.125 0.610 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.014 1.989 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.961 2.683 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.626 0.936 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.616 -1.703 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.812 -0.850 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.567 -1.136 -2.033 1.00 0.00 H new ATOM 871 N HIS A 55 5.888 3.574 -3.341 1.00 0.00 N ATOM 872 CA HIS A 55 5.964 4.690 -4.277 1.00 0.00 C ATOM 873 C HIS A 55 6.748 4.299 -5.526 1.00 0.00 C ATOM 874 O HIS A 55 7.907 3.892 -5.441 1.00 0.00 O ATOM 875 CB HIS A 55 6.616 5.901 -3.608 1.00 0.00 C ATOM 876 CG HIS A 55 6.773 7.077 -4.522 1.00 0.00 C ATOM 877 ND1 HIS A 55 5.923 8.163 -4.504 1.00 0.00 N ATOM 878 CD2 HIS A 55 7.690 7.335 -5.484 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.310 9.037 -5.416 1.00 0.00 C ATOM 880 NE2 HIS A 55 7.380 8.559 -6.024 1.00 0.00 N ATOM 0 H HIS A 55 6.311 3.757 -2.431 1.00 0.00 H new ATOM 0 HA HIS A 55 4.949 4.953 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.016 6.197 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.596 5.612 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.512 6.697 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.832 9.982 -5.628 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.893 9.023 -6.773 1.00 0.00 H new ATOM 889 N PHE A 56 6.109 4.426 -6.684 1.00 0.00 N ATOM 890 CA PHE A 56 6.746 4.084 -7.950 1.00 0.00 C ATOM 891 C PHE A 56 7.531 2.781 -7.830 1.00 0.00 C ATOM 892 O PHE A 56 8.684 2.698 -8.253 1.00 0.00 O ATOM 893 CB PHE A 56 7.676 5.214 -8.399 1.00 0.00 C ATOM 894 CG PHE A 56 6.962 6.338 -9.093 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.959 7.043 -8.446 1.00 0.00 C ATOM 896 CD2 PHE A 56 7.293 6.690 -10.391 1.00 0.00 C ATOM 897 CE1 PHE A 56 5.300 8.079 -9.082 1.00 0.00 C ATOM 898 CE2 PHE A 56 6.637 7.725 -11.032 1.00 0.00 C ATOM 899 CZ PHE A 56 5.639 8.419 -10.377 1.00 0.00 C ATOM 0 H PHE A 56 5.150 4.763 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 56 5.964 3.948 -8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.200 5.610 -7.529 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.433 4.806 -9.069 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.689 6.780 -7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.072 6.150 -10.908 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.521 8.622 -8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.905 7.990 -12.044 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.124 9.226 -10.877 1.00 0.00 H new ATOM 909 N ASN A 57 6.899 1.768 -7.249 1.00 0.00 N ATOM 910 CA ASN A 57 7.538 0.469 -7.071 1.00 0.00 C ATOM 911 C ASN A 57 6.630 -0.656 -7.560 1.00 0.00 C ATOM 912 O ASN A 57 7.100 -1.658 -8.098 1.00 0.00 O ATOM 913 CB ASN A 57 7.893 0.249 -5.599 1.00 0.00 C ATOM 914 CG ASN A 57 9.114 -0.633 -5.424 1.00 0.00 C ATOM 915 OD1 ASN A 57 8.973 -1.689 -4.632 1.00 0.00 O flip ATOM 916 ND2 ASN A 57 10.172 -0.368 -5.996 1.00 0.00 N flip ATOM 0 H ASN A 57 5.945 1.821 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 57 8.452 0.458 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.074 1.213 -5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.044 -0.205 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.235 0.454 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.985 -0.971 -5.870 1.00 0.00 H new ATOM 923 N VAL A 58 5.326 -0.481 -7.370 1.00 0.00 N ATOM 924 CA VAL A 58 4.351 -1.480 -7.793 1.00 0.00 C ATOM 925 C VAL A 58 4.368 -1.657 -9.307 1.00 0.00 C ATOM 926 O VAL A 58 3.888 -0.800 -10.048 1.00 0.00 O ATOM 927 CB VAL A 58 2.927 -1.098 -7.347 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.913 -2.097 -7.884 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.849 -1.010 -5.831 1.00 0.00 C ATOM 0 H VAL A 58 4.920 0.343 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 58 4.633 -2.419 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 58 2.688 -0.117 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.913 -1.811 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.952 -2.105 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.147 -3.092 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.836 -0.739 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.109 -1.975 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.547 -0.252 -5.474 1.00 0.00 H new ATOM 939 N ARG A 59 4.924 -2.776 -9.759 1.00 0.00 N ATOM 940 CA ARG A 59 5.004 -3.066 -11.186 1.00 0.00 C ATOM 941 C ARG A 59 3.648 -3.509 -11.728 1.00 0.00 C ATOM 942 O ARG A 59 3.222 -3.071 -12.796 1.00 0.00 O ATOM 943 CB ARG A 59 6.050 -4.152 -11.449 1.00 0.00 C ATOM 944 CG ARG A 59 6.398 -4.318 -12.919 1.00 0.00 C ATOM 945 CD ARG A 59 7.454 -3.316 -13.359 1.00 0.00 C ATOM 946 NE ARG A 59 7.607 -3.282 -14.811 1.00 0.00 N ATOM 947 CZ ARG A 59 6.777 -2.638 -15.623 1.00 0.00 C ATOM 948 NH1 ARG A 59 5.740 -1.976 -15.127 1.00 0.00 N ATOM 949 NH2 ARG A 59 6.982 -2.654 -16.933 1.00 0.00 N ATOM 0 H ARG A 59 5.325 -3.496 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 59 5.301 -2.152 -11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.957 -3.913 -10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.681 -5.102 -11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.760 -5.331 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.500 -4.190 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.183 -2.323 -13.000 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.409 -3.571 -12.900 1.00 0.00 H new ATOM 0 HE ARG A 59 8.395 -3.781 -15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.579 -1.961 -14.120 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.104 -1.482 -15.753 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.778 -3.162 -17.318 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.343 -2.159 -17.555 1.00 0.00 H new ATOM 963 N ASP A 60 2.976 -4.381 -10.984 1.00 0.00 N ATOM 964 CA ASP A 60 1.668 -4.883 -11.389 1.00 0.00 C ATOM 965 C ASP A 60 0.971 -5.582 -10.227 1.00 0.00 C ATOM 966 O ASP A 60 1.613 -6.254 -9.418 1.00 0.00 O ATOM 967 CB ASP A 60 1.811 -5.847 -12.568 1.00 0.00 C ATOM 968 CG ASP A 60 3.091 -6.657 -12.502 1.00 0.00 C ATOM 969 OD1 ASP A 60 4.180 -6.052 -12.585 1.00 0.00 O ATOM 970 OD2 ASP A 60 3.003 -7.896 -12.369 1.00 0.00 O ATOM 0 H ASP A 60 3.315 -4.755 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 60 1.059 -4.033 -11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.957 -6.524 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.790 -5.282 -13.500 1.00 0.00 H new ATOM 975 N ILE A 61 -0.346 -5.420 -10.149 1.00 0.00 N ATOM 976 CA ILE A 61 -1.129 -6.035 -9.085 1.00 0.00 C ATOM 977 C ILE A 61 -2.188 -6.973 -9.655 1.00 0.00 C ATOM 978 O ILE A 61 -3.036 -6.562 -10.448 1.00 0.00 O ATOM 979 CB ILE A 61 -1.819 -4.974 -8.207 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.777 -4.186 -7.410 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.823 -5.631 -7.273 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.373 -3.086 -6.559 1.00 0.00 C ATOM 0 H ILE A 61 -0.893 -4.868 -10.810 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.433 -6.606 -8.471 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.356 -4.280 -8.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.226 -4.873 -6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.056 -3.749 -8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.302 -4.868 -6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.579 -6.152 -7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.308 -6.344 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.577 -2.570 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.900 -2.377 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.072 -3.518 -5.843 1.00 0.00 H new ATOM 994 N LYS A 62 -2.135 -8.236 -9.245 1.00 0.00 N ATOM 995 CA LYS A 62 -3.091 -9.233 -9.711 1.00 0.00 C ATOM 996 C LYS A 62 -4.130 -9.536 -8.636 1.00 0.00 C ATOM 997 O LYS A 62 -3.786 -9.897 -7.510 1.00 0.00 O ATOM 998 CB LYS A 62 -2.364 -10.520 -10.109 1.00 0.00 C ATOM 999 CG LYS A 62 -1.471 -10.362 -11.327 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.457 -11.489 -11.426 1.00 0.00 C ATOM 1001 CE LYS A 62 -1.016 -12.677 -12.194 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.771 -12.556 -13.657 1.00 0.00 N ATOM 0 H LYS A 62 -1.439 -8.593 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.604 -8.827 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.760 -10.861 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.102 -11.297 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.084 -10.343 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.950 -9.406 -11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.444 -11.126 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.166 -11.806 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.560 -13.596 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.088 -12.756 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.167 -13.385 -14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.227 -11.693 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.252 -12.506 -13.835 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.402 -9.387 -8.990 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.491 -9.647 -8.056 1.00 0.00 C ATOM 1018 C VAL A 63 -7.567 -10.517 -8.695 1.00 0.00 C ATOM 1019 O VAL A 63 -8.050 -10.224 -9.788 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.132 -8.337 -7.563 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.244 -8.628 -6.566 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.079 -7.427 -6.948 1.00 0.00 C ATOM 0 H VAL A 63 -5.704 -9.088 -9.917 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.059 -10.174 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.569 -7.823 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.685 -7.690 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.010 -9.238 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.834 -9.165 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.550 -6.506 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.611 -7.932 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.321 -7.191 -7.695 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.940 -11.591 -8.005 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.958 -12.488 -8.521 1.00 0.00 C ATOM 1034 C GLY A 64 -8.577 -13.088 -9.860 1.00 0.00 C ATOM 1035 O GLY A 64 -7.496 -13.658 -10.006 1.00 0.00 O ATOM 0 H GLY A 64 -7.555 -11.856 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.129 -13.290 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.898 -11.945 -8.624 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.468 -12.962 -10.838 1.00 0.00 N ATOM 1040 CA GLN A 65 -9.219 -13.499 -12.171 1.00 0.00 C ATOM 1041 C GLN A 65 -7.744 -13.382 -12.538 1.00 0.00 C ATOM 1042 O GLN A 65 -7.116 -14.361 -12.941 1.00 0.00 O ATOM 1043 CB GLN A 65 -10.075 -12.767 -13.206 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.906 -13.298 -14.620 1.00 0.00 C ATOM 1045 CD GLN A 65 -10.965 -12.776 -15.571 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.770 -11.916 -15.210 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -10.971 -13.294 -16.793 1.00 0.00 N ATOM 0 H GLN A 65 -10.368 -12.493 -10.733 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.490 -14.555 -12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.124 -12.847 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.820 -11.707 -13.192 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.920 -13.020 -14.993 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.945 -14.387 -14.602 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.285 -14.004 -17.049 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.661 -12.982 -17.476 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.197 -12.179 -12.398 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.795 -11.935 -12.716 1.00 0.00 C ATOM 1058 C GLU A 66 -4.929 -13.122 -12.304 1.00 0.00 C ATOM 1059 O GLU A 66 -4.134 -13.628 -13.096 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.304 -10.665 -12.019 1.00 0.00 C ATOM 1061 CG GLU A 66 -5.591 -9.393 -12.799 1.00 0.00 C ATOM 1062 CD GLU A 66 -4.561 -9.125 -13.879 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -4.508 -9.905 -14.854 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -3.808 -8.138 -13.751 1.00 0.00 O ATOM 0 H GLU A 66 -7.703 -11.358 -12.066 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.712 -11.804 -13.795 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.774 -10.594 -11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.230 -10.744 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.579 -9.466 -13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.619 -8.548 -12.111 1.00 0.00 H new ATOM 1071 N CYS A 67 -5.090 -13.560 -11.060 1.00 0.00 N ATOM 1072 CA CYS A 67 -4.322 -14.686 -10.541 1.00 0.00 C ATOM 1073 C CYS A 67 -4.074 -15.724 -11.631 1.00 0.00 C ATOM 1074 O CYS A 67 -5.013 -16.216 -12.258 1.00 0.00 O ATOM 1075 CB CYS A 67 -5.056 -15.331 -9.364 1.00 0.00 C ATOM 1076 SG CYS A 67 -4.582 -17.047 -9.050 1.00 0.00 S ATOM 0 H CYS A 67 -5.745 -13.153 -10.393 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.359 -14.309 -10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.867 -14.743 -8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.129 -15.290 -9.552 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.509 -17.632 -8.352 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.191 -20.353 -3.654 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.732 -19.956 -2.350 1.00 0.00 C ATOM 1146 C PRO A 72 -5.560 -21.044 -1.296 1.00 0.00 C ATOM 1147 O PRO A 72 -5.662 -22.238 -1.578 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.216 -19.720 -2.639 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.510 -20.568 -3.828 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.251 -20.579 -4.650 1.00 0.00 C ATOM 0 HA PRO A 72 -5.219 -19.084 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.835 -20.003 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.417 -18.668 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.789 -21.578 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.345 -20.163 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.119 -21.528 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.261 -19.798 -5.410 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.295 -20.624 -0.049 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.105 -21.548 1.073 1.00 0.00 C ATOM 1160 C PRO A 73 -6.401 -22.243 1.478 1.00 0.00 C ATOM 1161 O PRO A 73 -7.381 -22.230 0.733 1.00 0.00 O ATOM 1162 CB PRO A 73 -4.611 -20.638 2.201 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.146 -19.290 1.862 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.161 -19.216 0.360 1.00 0.00 C ATOM 0 HA PRO A 73 -4.416 -22.355 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.976 -20.976 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.522 -20.630 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.148 -19.154 2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.520 -18.504 2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.991 -18.611 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.246 -18.770 -0.030 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.398 -22.847 2.662 1.00 0.00 N ATOM 1173 CA GLU A 74 -7.575 -23.547 3.164 1.00 0.00 C ATOM 1174 C GLU A 74 -8.681 -22.561 3.526 1.00 0.00 C ATOM 1175 O GLU A 74 -8.460 -21.611 4.277 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.210 -24.393 4.385 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.230 -25.472 4.705 1.00 0.00 C ATOM 1178 CD GLU A 74 -8.140 -25.953 6.141 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.730 -25.295 7.024 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -7.481 -26.986 6.381 1.00 0.00 O ATOM 0 H GLU A 74 -5.595 -22.866 3.291 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.941 -24.202 2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.240 -24.861 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.102 -23.739 5.250 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.232 -25.087 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.082 -26.317 4.033 1.00 0.00 H new ATOM 1187 N GLY A 75 -9.874 -22.794 2.987 1.00 0.00 N ATOM 1188 CA GLY A 75 -10.997 -21.918 3.264 1.00 0.00 C ATOM 1189 C GLY A 75 -11.101 -20.776 2.273 1.00 0.00 C ATOM 1190 O GLY A 75 -12.113 -20.630 1.587 1.00 0.00 O ATOM 0 H GLY A 75 -10.083 -23.574 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.920 -22.498 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.898 -21.513 4.271 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.052 -19.963 2.198 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.030 -18.826 1.286 1.00 0.00 C ATOM 1196 C ARG A 76 -10.519 -19.233 -0.101 1.00 0.00 C ATOM 1197 O ARG A 76 -10.744 -20.413 -0.370 1.00 0.00 O ATOM 1198 CB ARG A 76 -8.617 -18.248 1.191 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.337 -17.154 2.208 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.081 -17.401 3.511 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.404 -16.782 3.513 1.00 0.00 N ATOM 1202 CZ ARG A 76 -11.411 -17.200 4.271 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.247 -18.234 5.085 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -12.585 -16.585 4.217 1.00 0.00 N ATOM 0 H ARG A 76 -9.206 -20.071 2.758 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.701 -18.063 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.894 -19.053 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.464 -17.848 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.266 -17.103 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.632 -16.189 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.183 -18.474 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.496 -17.008 4.342 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.563 -15.984 2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.346 -18.710 5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.022 -18.553 5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.716 -15.789 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.357 -16.908 4.800 1.00 0.00 H new ATOM 1218 N SER A 77 -10.682 -18.247 -0.978 1.00 0.00 N ATOM 1219 CA SER A 77 -11.148 -18.502 -2.336 1.00 0.00 C ATOM 1220 C SER A 77 -10.263 -17.792 -3.357 1.00 0.00 C ATOM 1221 O SER A 77 -9.514 -16.877 -3.015 1.00 0.00 O ATOM 1222 CB SER A 77 -12.599 -18.042 -2.495 1.00 0.00 C ATOM 1223 OG SER A 77 -12.665 -16.659 -2.794 1.00 0.00 O ATOM 0 H SER A 77 -10.498 -17.265 -0.772 1.00 0.00 H new ATOM 0 HA SER A 77 -11.092 -19.575 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.080 -18.612 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.151 -18.246 -1.578 1.00 0.00 H new ATOM 0 HG SER A 77 -13.587 -16.345 -2.689 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.356 -18.222 -4.611 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.564 -17.629 -5.682 1.00 0.00 C ATOM 1231 C ARG A 78 -9.985 -16.185 -5.935 1.00 0.00 C ATOM 1232 O ARG A 78 -9.384 -15.486 -6.750 1.00 0.00 O ATOM 1233 CB ARG A 78 -9.710 -18.447 -6.966 1.00 0.00 C ATOM 1234 CG ARG A 78 -8.862 -19.708 -6.986 1.00 0.00 C ATOM 1235 CD ARG A 78 -8.588 -20.173 -8.407 1.00 0.00 C ATOM 1236 NE ARG A 78 -9.766 -20.778 -9.022 1.00 0.00 N ATOM 1237 CZ ARG A 78 -9.707 -21.653 -10.020 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -8.533 -22.022 -10.514 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -10.824 -22.160 -10.527 1.00 0.00 N ATOM 0 H ARG A 78 -10.971 -18.978 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.519 -17.635 -5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.757 -18.722 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.438 -17.823 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.918 -19.521 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.371 -20.499 -6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.260 -19.325 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.771 -20.895 -8.401 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.685 -20.514 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.672 -21.634 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.491 -22.694 -11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.729 -21.878 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.777 -22.832 -11.293 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.023 -15.745 -5.231 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.525 -14.384 -5.378 1.00 0.00 C ATOM 1255 C ASP A 79 -10.838 -13.442 -4.395 1.00 0.00 C ATOM 1256 O ASP A 79 -10.814 -12.228 -4.595 1.00 0.00 O ATOM 1257 CB ASP A 79 -13.039 -14.350 -5.164 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.804 -14.899 -6.353 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.702 -16.116 -6.614 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.505 -14.111 -7.021 1.00 0.00 O ATOM 0 H ASP A 79 -11.533 -16.311 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.302 -14.048 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.291 -14.929 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.354 -13.323 -4.976 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.282 -14.010 -3.329 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.604 -13.206 -2.329 1.00 0.00 C ATOM 1267 C GLY A 80 -8.098 -13.213 -2.503 1.00 0.00 C ATOM 1268 O GLY A 80 -7.354 -12.991 -1.546 1.00 0.00 O ATOM 0 H GLY A 80 -10.289 -15.012 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.968 -12.180 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.854 -13.580 -1.336 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.647 -13.471 -3.725 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.219 -13.508 -4.021 1.00 0.00 C ATOM 1274 C LEU A 81 -5.722 -12.141 -4.481 1.00 0.00 C ATOM 1275 O LEU A 81 -6.185 -11.607 -5.490 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.928 -14.557 -5.096 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.595 -15.961 -4.590 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.557 -16.373 -3.487 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.633 -16.963 -5.735 1.00 0.00 C ATOM 0 H LEU A 81 -8.249 -13.658 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.691 -13.777 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.795 -14.625 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.095 -14.204 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.586 -15.948 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.305 -17.375 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.481 -15.671 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.576 -16.369 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.394 -17.957 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.629 -16.973 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.903 -16.678 -6.493 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.775 -11.580 -3.737 1.00 0.00 N ATOM 1292 CA LEU A 82 -4.213 -10.276 -4.069 1.00 0.00 C ATOM 1293 C LEU A 82 -2.689 -10.327 -4.082 1.00 0.00 C ATOM 1294 O LEU A 82 -2.052 -10.474 -3.038 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.691 -9.222 -3.068 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.828 -7.966 -2.952 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.101 -7.022 -4.113 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.078 -7.267 -1.624 1.00 0.00 C ATOM 0 H LEU A 82 -4.380 -12.008 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.558 -10.003 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.701 -8.920 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.755 -9.687 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.780 -8.264 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.478 -6.133 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.870 -7.524 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.151 -6.731 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.455 -6.375 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.128 -6.982 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.831 -7.942 -0.805 1.00 0.00 H new ATOM 1310 N THR A 83 -2.107 -10.202 -5.271 1.00 0.00 N ATOM 1311 CA THR A 83 -0.658 -10.233 -5.420 1.00 0.00 C ATOM 1312 C THR A 83 -0.134 -8.914 -5.975 1.00 0.00 C ATOM 1313 O THR A 83 -0.692 -8.363 -6.924 1.00 0.00 O ATOM 1314 CB THR A 83 -0.213 -11.380 -6.347 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.813 -12.611 -5.927 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.302 -11.522 -6.344 1.00 0.00 C ATOM 0 H THR A 83 -2.618 -10.078 -6.145 1.00 0.00 H new ATOM 0 HA THR A 83 -0.242 -10.397 -4.426 1.00 0.00 H new ATOM 0 HB THR A 83 -0.538 -11.145 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.526 -13.335 -6.522 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.592 -12.338 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.755 -10.594 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.645 -11.736 -5.332 1.00 0.00 H new ATOM 1324 N VAL A 84 0.943 -8.412 -5.379 1.00 0.00 N ATOM 1325 CA VAL A 84 1.543 -7.157 -5.816 1.00 0.00 C ATOM 1326 C VAL A 84 2.979 -7.369 -6.284 1.00 0.00 C ATOM 1327 O VAL A 84 3.772 -8.025 -5.610 1.00 0.00 O ATOM 1328 CB VAL A 84 1.532 -6.107 -4.689 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.134 -4.797 -5.174 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.116 -5.895 -4.173 1.00 0.00 C ATOM 0 H VAL A 84 1.418 -8.855 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 84 0.942 -6.791 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 84 2.143 -6.476 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.118 -4.067 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.163 -4.965 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.553 -4.419 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.126 -5.150 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.520 -5.547 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.274 -6.836 -3.784 1.00 0.00 H new ATOM 1340 N ASN A 85 3.306 -6.807 -7.443 1.00 0.00 N ATOM 1341 CA ASN A 85 4.647 -6.935 -8.002 1.00 0.00 C ATOM 1342 C ASN A 85 5.492 -5.707 -7.674 1.00 0.00 C ATOM 1343 O ASN A 85 5.016 -4.574 -7.752 1.00 0.00 O ATOM 1344 CB ASN A 85 4.574 -7.128 -9.518 1.00 0.00 C ATOM 1345 CG ASN A 85 4.380 -8.580 -9.907 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.140 -9.128 -10.706 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.357 -9.212 -9.343 1.00 0.00 N ATOM 0 H ASN A 85 2.662 -6.259 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 85 5.119 -7.809 -7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.752 -6.535 -9.918 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.490 -6.752 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.176 -10.191 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.752 -8.719 -8.686 1.00 0.00 H new ATOM 1354 N LEU A 86 6.748 -5.940 -7.309 1.00 0.00 N ATOM 1355 CA LEU A 86 7.660 -4.853 -6.970 1.00 0.00 C ATOM 1356 C LEU A 86 8.748 -4.706 -8.029 1.00 0.00 C ATOM 1357 O LEU A 86 9.227 -5.696 -8.583 1.00 0.00 O ATOM 1358 CB LEU A 86 8.295 -5.103 -5.601 1.00 0.00 C ATOM 1359 CG LEU A 86 7.325 -5.371 -4.450 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.034 -6.085 -3.310 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.703 -4.070 -3.963 1.00 0.00 C ATOM 0 H LEU A 86 7.158 -6.871 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 86 7.086 -3.927 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.970 -5.954 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.904 -4.237 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 86 6.527 -6.017 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.328 -6.267 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.430 -7.036 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.853 -5.465 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.015 -4.280 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.488 -3.399 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.159 -3.598 -4.781 1.00 0.00 H new ATOM 1373 N ARG A 87 9.135 -3.465 -8.303 1.00 0.00 N ATOM 1374 CA ARG A 87 10.168 -3.188 -9.295 1.00 0.00 C ATOM 1375 C ARG A 87 11.549 -3.553 -8.758 1.00 0.00 C ATOM 1376 O ARG A 87 12.372 -4.123 -9.473 1.00 0.00 O ATOM 1377 CB ARG A 87 10.139 -1.711 -9.694 1.00 0.00 C ATOM 1378 CG ARG A 87 9.084 -1.384 -10.738 1.00 0.00 C ATOM 1379 CD ARG A 87 9.243 0.034 -11.265 1.00 0.00 C ATOM 1380 NE ARG A 87 8.162 0.404 -12.175 1.00 0.00 N ATOM 1381 CZ ARG A 87 8.181 1.495 -12.933 1.00 0.00 C ATOM 1382 NH1 ARG A 87 9.220 2.317 -12.891 1.00 0.00 N ATOM 1383 NH2 ARG A 87 7.159 1.764 -13.736 1.00 0.00 N ATOM 0 H ARG A 87 8.749 -2.635 -7.853 1.00 0.00 H new ATOM 0 HA ARG A 87 9.965 -3.799 -10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.958 -1.107 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.119 -1.428 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.157 -2.091 -11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.091 -1.503 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.267 0.731 -10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.199 0.124 -11.782 1.00 0.00 H new ATOM 0 HE ARG A 87 7.348 -0.208 -12.232 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.007 2.113 -12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.232 3.154 -13.474 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.358 1.133 -13.771 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.174 2.602 -14.318 1.00 0.00 H new ATOM 1397 N GLU A 88 11.794 -3.221 -7.494 1.00 0.00 N ATOM 1398 CA GLU A 88 13.076 -3.513 -6.863 1.00 0.00 C ATOM 1399 C GLU A 88 13.573 -4.900 -7.259 1.00 0.00 C ATOM 1400 O GLU A 88 14.753 -5.089 -7.549 1.00 0.00 O ATOM 1401 CB GLU A 88 12.953 -3.418 -5.341 1.00 0.00 C ATOM 1402 CG GLU A 88 11.981 -4.422 -4.745 1.00 0.00 C ATOM 1403 CD GLU A 88 11.879 -4.309 -3.236 1.00 0.00 C ATOM 1404 OE1 GLU A 88 12.453 -3.355 -2.671 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.225 -5.177 -2.620 1.00 0.00 O ATOM 0 H GLU A 88 11.122 -2.750 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 88 13.799 -2.775 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.936 -3.568 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.632 -2.411 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.995 -4.272 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.298 -5.431 -5.010 1.00 0.00 H new ATOM 1412 N GLY A 89 12.662 -5.869 -7.266 1.00 0.00 N ATOM 1413 CA GLY A 89 13.027 -7.227 -7.626 1.00 0.00 C ATOM 1414 C GLY A 89 12.401 -8.258 -6.708 1.00 0.00 C ATOM 1415 O GLY A 89 13.093 -9.124 -6.173 1.00 0.00 O ATOM 0 H GLY A 89 11.679 -5.738 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.717 -7.423 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.112 -7.329 -7.595 1.00 0.00 H new ATOM 1419 N SER A 90 11.088 -8.165 -6.524 1.00 0.00 N ATOM 1420 CA SER A 90 10.369 -9.093 -5.660 1.00 0.00 C ATOM 1421 C SER A 90 8.861 -8.908 -5.797 1.00 0.00 C ATOM 1422 O SER A 90 8.397 -7.959 -6.430 1.00 0.00 O ATOM 1423 CB SER A 90 10.788 -8.894 -4.202 1.00 0.00 C ATOM 1424 OG SER A 90 11.980 -9.604 -3.912 1.00 0.00 O ATOM 0 H SER A 90 10.500 -7.456 -6.962 1.00 0.00 H new ATOM 0 HA SER A 90 10.622 -10.107 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.936 -7.832 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.990 -9.232 -3.542 1.00 0.00 H new ATOM 0 HG SER A 90 12.493 -9.732 -4.737 1.00 0.00 H new ATOM 1430 N ARG A 91 8.102 -9.820 -5.200 1.00 0.00 N ATOM 1431 CA ARG A 91 6.646 -9.759 -5.256 1.00 0.00 C ATOM 1432 C ARG A 91 6.042 -9.889 -3.861 1.00 0.00 C ATOM 1433 O ARG A 91 6.746 -10.180 -2.893 1.00 0.00 O ATOM 1434 CB ARG A 91 6.102 -10.864 -6.164 1.00 0.00 C ATOM 1435 CG ARG A 91 6.483 -12.265 -5.713 1.00 0.00 C ATOM 1436 CD ARG A 91 6.218 -13.292 -6.802 1.00 0.00 C ATOM 1437 NE ARG A 91 7.375 -13.475 -7.675 1.00 0.00 N ATOM 1438 CZ ARG A 91 7.290 -13.916 -8.925 1.00 0.00 C ATOM 1439 NH1 ARG A 91 6.108 -14.216 -9.447 1.00 0.00 N ATOM 1440 NH2 ARG A 91 8.388 -14.056 -9.657 1.00 0.00 N ATOM 0 H ARG A 91 8.471 -10.611 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 91 6.364 -8.789 -5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.015 -10.787 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.471 -10.705 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.538 -12.286 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.917 -12.527 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.955 -14.246 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.361 -12.976 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 91 8.299 -13.252 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.262 -14.108 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.046 -14.554 -10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.299 -13.825 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.321 -14.395 -10.617 1.00 0.00 H new ATOM 1454 N LEU A 92 4.735 -9.670 -3.765 1.00 0.00 N ATOM 1455 CA LEU A 92 4.036 -9.762 -2.488 1.00 0.00 C ATOM 1456 C LEU A 92 2.770 -10.603 -2.620 1.00 0.00 C ATOM 1457 O LEU A 92 1.763 -10.147 -3.162 1.00 0.00 O ATOM 1458 CB LEU A 92 3.682 -8.365 -1.976 1.00 0.00 C ATOM 1459 CG LEU A 92 4.753 -7.667 -1.136 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.661 -6.158 -1.300 1.00 0.00 C ATOM 1461 CD2 LEU A 92 4.617 -8.055 0.329 1.00 0.00 C ATOM 0 H LEU A 92 4.138 -9.428 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 92 4.700 -10.247 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.452 -7.733 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.772 -8.438 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 92 5.732 -7.991 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.431 -5.679 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.808 -5.896 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.679 -5.816 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.387 -7.550 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.633 -7.760 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.734 -9.134 0.432 1.00 0.00 H new ATOM 1473 N HIS A 93 2.828 -11.833 -2.119 1.00 0.00 N ATOM 1474 CA HIS A 93 1.685 -12.737 -2.178 1.00 0.00 C ATOM 1475 C HIS A 93 0.762 -12.525 -0.982 1.00 0.00 C ATOM 1476 O HIS A 93 1.165 -12.710 0.167 1.00 0.00 O ATOM 1477 CB HIS A 93 2.159 -14.190 -2.220 1.00 0.00 C ATOM 1478 CG HIS A 93 2.433 -14.692 -3.604 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.706 -14.893 -4.094 1.00 0.00 N ATOM 1480 CD2 HIS A 93 1.588 -15.034 -4.605 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.633 -15.336 -5.336 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.358 -15.431 -5.670 1.00 0.00 N ATOM 0 H HIS A 93 3.654 -12.226 -1.668 1.00 0.00 H new ATOM 0 HA HIS A 93 1.127 -12.518 -3.088 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.065 -14.285 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.403 -14.823 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.509 -15.001 -4.572 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.472 -15.579 -5.971 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.004 -15.748 -6.572 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.477 -12.135 -1.259 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.458 -11.897 -0.206 1.00 0.00 C ATOM 1493 C LEU A 94 -2.814 -12.486 -0.581 1.00 0.00 C ATOM 1494 O LEU A 94 -3.094 -12.724 -1.757 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.596 -10.397 0.060 1.00 0.00 C ATOM 1496 CG LEU A 94 -0.307 -9.658 0.422 1.00 0.00 C ATOM 1497 CD1 LEU A 94 -0.558 -8.161 0.515 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.261 -10.188 1.731 1.00 0.00 C ATOM 0 H LEU A 94 -0.826 -11.977 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.108 -12.390 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.023 -9.929 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.312 -10.256 0.870 1.00 0.00 H new ATOM 0 HG LEU A 94 0.424 -9.834 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.370 -7.652 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.919 -7.792 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.306 -7.964 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.178 -9.651 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.467 -10.042 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.479 -11.251 1.629 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.652 -12.715 0.423 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.981 -13.274 0.199 1.00 0.00 C ATOM 1512 C CYS A 95 -5.979 -12.728 1.214 1.00 0.00 C ATOM 1513 O CYS A 95 -5.869 -12.992 2.411 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.935 -14.801 0.280 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.474 -15.613 -0.209 1.00 0.00 S ATOM 0 H CYS A 95 -3.435 -12.522 1.401 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.308 -12.980 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.127 -15.164 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.692 -15.093 1.302 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.287 -14.733 -0.714 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.952 -11.965 0.727 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.971 -11.382 1.592 1.00 0.00 C ATOM 1523 C ALA A 96 -9.104 -12.369 1.848 1.00 0.00 C ATOM 1524 O ALA A 96 -9.092 -13.488 1.335 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.513 -10.100 0.978 1.00 0.00 C ATOM 0 H ALA A 96 -7.056 -11.736 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.508 -11.146 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.273 -9.675 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.700 -9.384 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.955 -10.320 0.006 1.00 0.00 H new ATOM 1531 N GLU A 97 -10.081 -11.948 2.645 1.00 0.00 N ATOM 1532 CA GLU A 97 -11.222 -12.797 2.969 1.00 0.00 C ATOM 1533 C GLU A 97 -12.222 -12.828 1.817 1.00 0.00 C ATOM 1534 O GLU A 97 -12.754 -13.883 1.469 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.909 -12.301 4.243 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.013 -12.330 5.469 1.00 0.00 C ATOM 1537 CD GLU A 97 -11.798 -12.440 6.762 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -12.158 -11.386 7.328 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -12.051 -13.578 7.209 1.00 0.00 O ATOM 0 H GLU A 97 -10.106 -11.025 3.078 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.854 -13.810 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.259 -11.281 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.790 -12.914 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.326 -13.173 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.406 -11.425 5.493 1.00 0.00 H new ATOM 1546 N THR A 98 -12.474 -11.663 1.228 1.00 0.00 N ATOM 1547 CA THR A 98 -13.411 -11.556 0.117 1.00 0.00 C ATOM 1548 C THR A 98 -12.831 -10.711 -1.011 1.00 0.00 C ATOM 1549 O THR A 98 -11.853 -9.989 -0.819 1.00 0.00 O ATOM 1550 CB THR A 98 -14.749 -10.941 0.568 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.532 -9.626 1.093 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.416 -11.810 1.624 1.00 0.00 C ATOM 0 H THR A 98 -12.042 -10.781 1.502 1.00 0.00 H new ATOM 0 HA THR A 98 -13.589 -12.568 -0.245 1.00 0.00 H new ATOM 0 HB THR A 98 -15.406 -10.882 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.388 -9.241 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.359 -11.355 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.607 -12.801 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.761 -11.897 2.491 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.441 -10.805 -2.188 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.984 -10.049 -3.348 1.00 0.00 C ATOM 1562 C ARG A 99 -12.996 -8.550 -3.059 1.00 0.00 C ATOM 1563 O ARG A 99 -12.046 -7.838 -3.385 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.866 -10.351 -4.561 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.313 -9.919 -4.385 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.155 -10.286 -5.597 1.00 0.00 C ATOM 1567 NE ARG A 99 -15.837 -9.457 -6.756 1.00 0.00 N ATOM 1568 CZ ARG A 99 -14.848 -9.723 -7.601 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -14.085 -10.792 -7.418 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -14.621 -8.920 -8.633 1.00 0.00 N ATOM 0 H ARG A 99 -14.253 -11.397 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.960 -10.352 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.450 -9.851 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.837 -11.422 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.729 -10.391 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.355 -8.842 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.994 -11.335 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.211 -10.176 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.406 -8.628 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.257 -11.412 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.326 -10.994 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.207 -8.097 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.861 -9.125 -9.281 1.00 0.00 H new ATOM 1584 N ASP A 100 -14.076 -8.080 -2.447 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.211 -6.666 -2.113 1.00 0.00 C ATOM 1586 C ASP A 100 -12.950 -6.146 -1.431 1.00 0.00 C ATOM 1587 O ASP A 100 -12.272 -5.260 -1.951 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.423 -6.448 -1.206 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.912 -5.013 -1.229 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.592 -4.292 -2.197 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.616 -4.612 -0.279 1.00 0.00 O ATOM 0 H ASP A 100 -14.871 -8.656 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.356 -6.111 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.231 -7.109 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.163 -6.724 -0.184 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.642 -6.702 -0.264 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.462 -6.294 0.489 1.00 0.00 C ATOM 1598 C ASP A 101 -10.223 -6.291 -0.401 1.00 0.00 C ATOM 1599 O ASP A 101 -9.433 -5.347 -0.379 1.00 0.00 O ATOM 1600 CB ASP A 101 -11.246 -7.225 1.683 1.00 0.00 C ATOM 1601 CG ASP A 101 -12.158 -6.895 2.848 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -13.336 -7.310 2.815 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.694 -6.223 3.792 1.00 0.00 O ATOM 0 H ASP A 101 -13.193 -7.436 0.181 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.627 -5.280 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.417 -8.255 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.208 -7.159 2.008 1.00 0.00 H new ATOM 1608 N ALA A 102 -10.059 -7.354 -1.182 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.917 -7.474 -2.079 1.00 0.00 C ATOM 1610 C ALA A 102 -8.823 -6.270 -3.011 1.00 0.00 C ATOM 1611 O ALA A 102 -7.779 -5.625 -3.103 1.00 0.00 O ATOM 1612 CB ALA A 102 -9.011 -8.761 -2.884 1.00 0.00 C ATOM 0 H ALA A 102 -10.703 -8.144 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.011 -7.503 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.151 -8.837 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.022 -9.614 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.927 -8.755 -3.474 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.920 -5.975 -3.701 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.960 -4.849 -4.626 1.00 0.00 C ATOM 1620 C ILE A 103 -9.557 -3.553 -3.931 1.00 0.00 C ATOM 1621 O ILE A 103 -8.795 -2.755 -4.477 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.361 -4.675 -5.240 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.777 -5.946 -5.984 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.384 -3.476 -6.176 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.260 -6.016 -6.277 1.00 0.00 C ATOM 0 H ILE A 103 -10.792 -6.500 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.248 -5.068 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.075 -4.497 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.226 -6.005 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.490 -6.815 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.381 -3.366 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.126 -2.575 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.661 -3.627 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.483 -6.943 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.818 -5.989 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.549 -5.167 -6.896 1.00 0.00 H new ATOM 1637 N ALA A 104 -10.072 -3.351 -2.723 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.764 -2.153 -1.951 1.00 0.00 C ATOM 1639 C ALA A 104 -8.259 -1.912 -1.890 1.00 0.00 C ATOM 1640 O ALA A 104 -7.783 -0.820 -2.201 1.00 0.00 O ATOM 1641 CB ALA A 104 -10.339 -2.267 -0.547 1.00 0.00 C ATOM 0 H ALA A 104 -10.705 -4.002 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.223 -1.300 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.101 -1.366 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.421 -2.384 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.907 -3.133 -0.046 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.517 -2.937 -1.487 1.00 0.00 N ATOM 1648 CA TRP A 105 -6.065 -2.835 -1.385 1.00 0.00 C ATOM 1649 C TRP A 105 -5.458 -2.369 -2.703 1.00 0.00 C ATOM 1650 O TRP A 105 -4.607 -1.480 -2.727 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.466 -4.184 -0.982 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.360 -4.366 0.502 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -6.145 -5.160 1.289 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.414 -3.741 1.377 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.745 -5.066 2.600 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.684 -4.202 2.680 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.365 -2.838 1.186 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.943 -3.789 3.784 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.630 -2.429 2.283 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.922 -2.905 3.568 1.00 0.00 C ATOM 0 H TRP A 105 -7.896 -3.847 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.830 -2.097 -0.618 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -6.079 -4.984 -1.396 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.475 -4.280 -1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.961 -5.772 0.933 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -6.169 -5.559 3.386 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.133 -2.466 0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.166 -4.154 4.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.817 -1.731 2.147 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.329 -2.567 4.405 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.900 -2.974 -3.800 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.402 -2.620 -5.124 1.00 0.00 C ATOM 1673 C LYS A 106 -5.471 -1.113 -5.346 1.00 0.00 C ATOM 1674 O LYS A 106 -4.558 -0.516 -5.919 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.208 -3.343 -6.205 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.949 -2.822 -7.608 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.133 -3.911 -8.651 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.663 -3.454 -10.024 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.728 -2.715 -10.757 1.00 0.00 N ATOM 0 H LYS A 106 -6.603 -3.713 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.359 -2.932 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.972 -4.407 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.270 -3.245 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.627 -1.995 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.935 -2.427 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.577 -4.800 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.184 -4.194 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.787 -2.814 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.354 -4.320 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.369 -2.421 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.554 -3.333 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.006 -1.874 -10.211 1.00 0.00 H new ATOM 1693 N THR A 107 -6.559 -0.501 -4.889 1.00 0.00 N ATOM 1694 CA THR A 107 -6.746 0.937 -5.037 1.00 0.00 C ATOM 1695 C THR A 107 -5.791 1.712 -4.136 1.00 0.00 C ATOM 1696 O THR A 107 -5.105 2.629 -4.587 1.00 0.00 O ATOM 1697 CB THR A 107 -8.193 1.351 -4.710 1.00 0.00 C ATOM 1698 OG1 THR A 107 -9.113 0.578 -5.489 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.408 2.832 -4.985 1.00 0.00 C ATOM 0 H THR A 107 -7.324 -0.979 -4.413 1.00 0.00 H new ATOM 0 HA THR A 107 -6.533 1.178 -6.079 1.00 0.00 H new ATOM 0 HB THR A 107 -8.369 1.165 -3.651 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.030 0.847 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.437 3.101 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.727 3.419 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.214 3.039 -6.037 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.752 1.337 -2.862 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.879 1.996 -1.898 1.00 0.00 C ATOM 1709 C ALA A 108 -3.412 1.819 -2.276 1.00 0.00 C ATOM 1710 O ALA A 108 -2.573 2.664 -1.962 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.135 1.457 -0.499 1.00 0.00 C ATOM 0 H ALA A 108 -6.315 0.580 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.104 3.062 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.476 1.958 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.173 1.641 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.939 0.385 -0.481 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.109 0.715 -2.950 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.743 0.426 -3.370 1.00 0.00 C ATOM 1719 C LEU A 109 -1.406 1.155 -4.667 1.00 0.00 C ATOM 1720 O LEU A 109 -0.401 1.860 -4.751 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.553 -1.081 -3.555 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.677 -1.933 -2.291 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -2.132 -3.341 -2.639 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.355 -1.967 -1.539 1.00 0.00 C ATOM 0 H LEU A 109 -3.791 0.005 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.068 0.778 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.287 -1.433 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.568 -1.252 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.428 -1.481 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.215 -3.932 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.103 -3.298 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.405 -3.804 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.462 -2.578 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.417 -2.394 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.071 -0.953 -1.256 1.00 0.00 H new ATOM 1736 N MET A 110 -2.254 0.980 -5.675 1.00 0.00 N ATOM 1737 CA MET A 110 -2.048 1.624 -6.967 1.00 0.00 C ATOM 1738 C MET A 110 -1.919 3.136 -6.807 1.00 0.00 C ATOM 1739 O MET A 110 -1.047 3.761 -7.410 1.00 0.00 O ATOM 1740 CB MET A 110 -3.203 1.297 -7.915 1.00 0.00 C ATOM 1741 CG MET A 110 -3.126 -0.100 -8.507 1.00 0.00 C ATOM 1742 SD MET A 110 -2.181 -0.153 -10.042 1.00 0.00 S ATOM 1743 CE MET A 110 -0.653 -0.896 -9.473 1.00 0.00 C ATOM 0 H MET A 110 -3.090 0.398 -5.622 1.00 0.00 H new ATOM 0 HA MET A 110 -1.120 1.241 -7.391 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.145 1.403 -7.377 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.215 2.026 -8.725 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.670 -0.773 -7.781 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.135 -0.468 -8.693 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.081 -0.882 -10.279 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.269 -0.332 -8.623 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.840 -1.926 -9.170 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.793 3.717 -5.990 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.776 5.155 -5.752 1.00 0.00 C ATOM 1755 C GLU A 111 -1.480 5.578 -5.066 1.00 0.00 C ATOM 1756 O GLU A 111 -0.698 6.352 -5.616 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.976 5.567 -4.898 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.213 5.910 -5.712 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.121 7.273 -6.368 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.893 8.265 -5.645 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -5.276 7.349 -7.605 1.00 0.00 O ATOM 0 H GLU A 111 -3.521 3.214 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.836 5.658 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.217 4.757 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.700 6.429 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.360 5.151 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.089 5.881 -5.064 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.262 5.064 -3.860 1.00 0.00 N ATOM 1769 CA ALA A 112 -0.061 5.386 -3.098 1.00 0.00 C ATOM 1770 C ALA A 112 1.189 5.252 -3.961 1.00 0.00 C ATOM 1771 O ALA A 112 2.164 5.978 -3.774 1.00 0.00 O ATOM 1772 CB ALA A 112 0.042 4.491 -1.872 1.00 0.00 C ATOM 0 H ALA A 112 -1.901 4.423 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.135 6.423 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.943 4.742 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.832 4.640 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.089 3.448 -2.186 1.00 0.00 H new ATOM 1778 N ASN A 113 1.153 4.318 -4.906 1.00 0.00 N ATOM 1779 CA ASN A 113 2.284 4.088 -5.797 1.00 0.00 C ATOM 1780 C ASN A 113 2.500 5.283 -6.722 1.00 0.00 C ATOM 1781 O ASN A 113 3.635 5.644 -7.031 1.00 0.00 O ATOM 1782 CB ASN A 113 2.058 2.822 -6.625 1.00 0.00 C ATOM 1783 CG ASN A 113 2.732 2.891 -7.983 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.923 3.184 -8.082 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.969 2.621 -9.036 1.00 0.00 N ATOM 0 H ASN A 113 0.353 3.708 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 113 3.177 3.959 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.438 1.960 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.988 2.666 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.366 2.652 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.986 2.383 -8.906 1.00 0.00 H new ATOM 1792 N SER A 114 1.402 5.891 -7.160 1.00 0.00 N ATOM 1793 CA SER A 114 1.470 7.042 -8.052 1.00 0.00 C ATOM 1794 C SER A 114 0.662 8.210 -7.494 1.00 0.00 C ATOM 1795 O SER A 114 -0.306 8.661 -8.108 1.00 0.00 O ATOM 1796 CB SER A 114 0.954 6.668 -9.443 1.00 0.00 C ATOM 1797 OG SER A 114 1.836 5.766 -10.088 1.00 0.00 O ATOM 0 H SER A 114 0.455 5.605 -6.911 1.00 0.00 H new ATOM 0 HA SER A 114 2.513 7.349 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.035 6.217 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.843 7.568 -10.047 1.00 0.00 H new ATOM 0 HG SER A 114 1.483 5.541 -10.974 1.00 0.00 H new ATOM 1803 N THR A 115 1.066 8.696 -6.325 1.00 0.00 N ATOM 1804 CA THR A 115 0.381 9.810 -5.682 1.00 0.00 C ATOM 1805 C THR A 115 1.251 10.442 -4.602 1.00 0.00 C ATOM 1806 O THR A 115 1.430 9.893 -3.515 1.00 0.00 O ATOM 1807 CB THR A 115 -0.952 9.363 -5.054 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.828 8.859 -6.070 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.623 10.518 -4.327 1.00 0.00 C ATOM 0 H THR A 115 1.865 8.335 -5.804 1.00 0.00 H new ATOM 0 HA THR A 115 0.179 10.547 -6.459 1.00 0.00 H new ATOM 0 HB THR A 115 -0.741 8.574 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.469 9.086 -6.953 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.563 10.177 -3.892 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.967 10.880 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.821 11.326 -5.032 1.00 0.00 H new ATOM 1817 N PRO A 116 1.807 11.625 -4.906 1.00 0.00 N ATOM 1818 CA PRO A 116 2.668 12.358 -3.972 1.00 0.00 C ATOM 1819 C PRO A 116 1.891 12.917 -2.785 1.00 0.00 C ATOM 1820 O PRO A 116 0.699 12.654 -2.632 1.00 0.00 O ATOM 1821 CB PRO A 116 3.230 13.496 -4.827 1.00 0.00 C ATOM 1822 CG PRO A 116 2.219 13.696 -5.904 1.00 0.00 C ATOM 1823 CD PRO A 116 1.638 12.338 -6.183 1.00 0.00 C ATOM 0 HA PRO A 116 3.434 11.717 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.366 14.403 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.204 13.236 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.444 14.394 -5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 116 2.679 14.115 -6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.589 12.402 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.163 11.836 -6.996 1.00 0.00 H new