USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 92 SER OG : rot -63:sc= -0.884 USER MOD Set 1.2: A 97 THR OG1 : rot 20:sc= -0.11! USER MOD Set 2.1: A 8 MET CE :methyl 171:sc= -0.61 (180deg=-0.207) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.44 K(o=-2.1,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0834 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 9:sc= 0.135 USER MOD Single : A 24 LYS NZ :NH3+ 134:sc= 0.654 (180deg=-1.09!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc=0.000204 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -6.66! C(o=-6.7!,f=-9.3!) USER MOD Single : A 28 GLN : amide:sc= -0.0579 X(o=-0.058,f=-0.3) USER MOD Single : A 37 ASN : amide:sc= 0.606 K(o=0.61,f=-0.82) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -90:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 71:sc= 1.09 USER MOD Single : A 52 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.2!) USER MOD Single : A 54 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.1) USER MOD Single : A 56 MET CE :methyl -170:sc= -4.13 (180deg=-4.6) USER MOD Single : A 57 TYR OH : rot -51:sc= -0.0372 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -10! C(o=-10!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0609 K(o=-0.061,f=-0.98) USER MOD Single : A 70 ASN : amide:sc= -0.411 X(o=-0.41,f=0.0041) USER MOD Single : A 75 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.792 USER MOD Single : A 83 CYS SG : rot 180:sc= -2.33 USER MOD Single : A 86 TYR OH : rot -88:sc= 1.49 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.134 K(o=-0.13,f=-1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0076 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0918 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.201 -0.410 15.508 1.00 0.00 N ATOM 2 CA GLY A 1 -25.115 -1.429 14.476 1.00 0.00 C ATOM 3 C GLY A 1 -23.702 -1.500 13.892 1.00 0.00 C ATOM 4 O GLY A 1 -22.922 -0.559 14.028 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.263 -0.865 16.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.354 0.193 15.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.048 0.173 15.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.389 -2.398 14.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.830 -1.210 13.683 1.00 0.00 H new ATOM 8 N SER A 2 -23.417 -2.626 13.254 1.00 0.00 N ATOM 9 CA SER A 2 -22.112 -2.832 12.648 1.00 0.00 C ATOM 10 C SER A 2 -22.274 -3.232 11.180 1.00 0.00 C ATOM 11 O SER A 2 -23.015 -4.161 10.865 1.00 0.00 O ATOM 12 CB SER A 2 -21.316 -3.898 13.404 1.00 0.00 C ATOM 13 OG SER A 2 -20.278 -3.327 14.196 1.00 0.00 O ATOM 0 H SER A 2 -24.067 -3.405 13.144 1.00 0.00 H new ATOM 0 HA SER A 2 -21.557 -1.895 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.990 -4.467 14.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.884 -4.601 12.692 1.00 0.00 H new ATOM 0 HG SER A 2 -19.794 -4.039 14.664 1.00 0.00 H new ATOM 19 N SER A 3 -21.567 -2.511 10.322 1.00 0.00 N ATOM 20 CA SER A 3 -21.623 -2.779 8.895 1.00 0.00 C ATOM 21 C SER A 3 -20.608 -1.904 8.158 1.00 0.00 C ATOM 22 O SER A 3 -20.531 -0.700 8.398 1.00 0.00 O ATOM 23 CB SER A 3 -23.030 -2.539 8.344 1.00 0.00 C ATOM 24 OG SER A 3 -23.473 -3.616 7.523 1.00 0.00 O ATOM 0 H SER A 3 -20.952 -1.742 10.588 1.00 0.00 H new ATOM 0 HA SER A 3 -21.373 -3.828 8.734 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.726 -2.405 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.040 -1.615 7.766 1.00 0.00 H new ATOM 0 HG SER A 3 -24.376 -3.425 7.192 1.00 0.00 H new ATOM 30 N GLY A 4 -19.853 -2.543 7.276 1.00 0.00 N ATOM 31 CA GLY A 4 -18.846 -1.838 6.503 1.00 0.00 C ATOM 32 C GLY A 4 -18.011 -2.813 5.670 1.00 0.00 C ATOM 33 O GLY A 4 -18.408 -3.960 5.469 1.00 0.00 O ATOM 0 H GLY A 4 -19.919 -3.542 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.328 -1.114 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.195 -1.277 7.173 1.00 0.00 H new ATOM 37 N SER A 5 -16.870 -2.322 5.210 1.00 0.00 N ATOM 38 CA SER A 5 -15.976 -3.136 4.404 1.00 0.00 C ATOM 39 C SER A 5 -16.592 -3.382 3.025 1.00 0.00 C ATOM 40 O SER A 5 -17.811 -3.330 2.868 1.00 0.00 O ATOM 41 CB SER A 5 -15.671 -4.467 5.094 1.00 0.00 C ATOM 42 OG SER A 5 -14.279 -4.628 5.352 1.00 0.00 O ATOM 0 H SER A 5 -16.544 -1.371 5.380 1.00 0.00 H new ATOM 0 HA SER A 5 -15.037 -2.596 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.223 -4.524 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.021 -5.288 4.469 1.00 0.00 H new ATOM 0 HG SER A 5 -14.126 -5.489 5.795 1.00 0.00 H new ATOM 48 N SER A 6 -15.721 -3.643 2.061 1.00 0.00 N ATOM 49 CA SER A 6 -16.164 -3.897 0.701 1.00 0.00 C ATOM 50 C SER A 6 -15.014 -4.477 -0.124 1.00 0.00 C ATOM 51 O SER A 6 -14.879 -5.694 -0.238 1.00 0.00 O ATOM 52 CB SER A 6 -16.695 -2.620 0.047 1.00 0.00 C ATOM 53 OG SER A 6 -16.155 -1.447 0.650 1.00 0.00 O ATOM 0 H SER A 6 -14.711 -3.684 2.195 1.00 0.00 H new ATOM 0 HA SER A 6 -16.979 -4.620 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.450 -2.628 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.782 -2.599 0.123 1.00 0.00 H new ATOM 0 HG SER A 6 -16.517 -0.653 0.204 1.00 0.00 H new ATOM 59 N GLY A 7 -14.214 -3.578 -0.680 1.00 0.00 N ATOM 60 CA GLY A 7 -13.080 -3.986 -1.491 1.00 0.00 C ATOM 61 C GLY A 7 -11.812 -3.236 -1.077 1.00 0.00 C ATOM 62 O GLY A 7 -11.831 -2.015 -0.924 1.00 0.00 O ATOM 0 H GLY A 7 -14.329 -2.569 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.922 -5.060 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.293 -3.795 -2.543 1.00 0.00 H new ATOM 66 N MET A 8 -10.741 -3.997 -0.908 1.00 0.00 N ATOM 67 CA MET A 8 -9.467 -3.420 -0.515 1.00 0.00 C ATOM 68 C MET A 8 -8.856 -2.610 -1.660 1.00 0.00 C ATOM 69 O MET A 8 -9.203 -2.812 -2.822 1.00 0.00 O ATOM 70 CB MET A 8 -8.504 -4.537 -0.108 1.00 0.00 C ATOM 71 CG MET A 8 -9.101 -5.396 1.009 1.00 0.00 C ATOM 72 SD MET A 8 -8.138 -6.885 1.215 1.00 0.00 S ATOM 73 CE MET A 8 -6.967 -6.328 2.443 1.00 0.00 C ATOM 0 H MET A 8 -10.729 -5.009 -1.036 1.00 0.00 H new ATOM 0 HA MET A 8 -9.637 -2.751 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.281 -5.162 -0.972 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.560 -4.105 0.225 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.119 -4.833 1.942 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.134 -5.651 0.771 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.389 -7.178 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.294 -5.595 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.502 -5.871 3.275 1.00 0.00 H new ATOM 83 N VAL A 9 -7.956 -1.711 -1.290 1.00 0.00 N ATOM 84 CA VAL A 9 -7.292 -0.869 -2.272 1.00 0.00 C ATOM 85 C VAL A 9 -6.021 -0.280 -1.657 1.00 0.00 C ATOM 86 O VAL A 9 -6.085 0.682 -0.894 1.00 0.00 O ATOM 87 CB VAL A 9 -8.260 0.200 -2.784 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.500 1.404 -3.343 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.215 -0.380 -3.829 1.00 0.00 C ATOM 0 H VAL A 9 -7.671 -1.547 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.991 -1.457 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.857 0.544 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.211 2.149 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.881 1.840 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.866 1.082 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.892 0.401 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.641 -0.764 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.793 -1.190 -3.384 1.00 0.00 H new ATOM 99 N ILE A 10 -4.896 -0.883 -2.012 1.00 0.00 N ATOM 100 CA ILE A 10 -3.612 -0.431 -1.504 1.00 0.00 C ATOM 101 C ILE A 10 -3.326 0.976 -2.034 1.00 0.00 C ATOM 102 O ILE A 10 -2.511 1.148 -2.939 1.00 0.00 O ATOM 103 CB ILE A 10 -2.517 -1.447 -1.835 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.834 -2.813 -1.224 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.142 -0.931 -1.404 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.144 -2.687 0.269 1.00 0.00 C ATOM 0 H ILE A 10 -4.847 -1.681 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.634 -0.364 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.487 -1.577 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.685 -3.257 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.988 -3.485 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.382 -1.672 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.923 0.001 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.141 -0.754 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.366 -3.672 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.282 -2.265 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.005 -2.034 0.408 1.00 0.00 H new ATOM 118 N ARG A 11 -4.013 1.945 -1.448 1.00 0.00 N ATOM 119 CA ARG A 11 -3.843 3.331 -1.850 1.00 0.00 C ATOM 120 C ARG A 11 -2.370 3.734 -1.757 1.00 0.00 C ATOM 121 O ARG A 11 -1.897 4.131 -0.694 1.00 0.00 O ATOM 122 CB ARG A 11 -4.677 4.266 -0.970 1.00 0.00 C ATOM 123 CG ARG A 11 -6.160 3.896 -1.028 1.00 0.00 C ATOM 124 CD ARG A 11 -7.001 4.873 -0.205 1.00 0.00 C ATOM 125 NE ARG A 11 -8.438 4.549 -0.348 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.416 5.142 0.350 1.00 0.00 C ATOM 127 NH1 ARG A 11 -9.117 6.093 1.245 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.692 4.784 0.154 1.00 0.00 N ATOM 0 H ARG A 11 -4.688 1.798 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.183 3.421 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.325 4.212 0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.543 5.297 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.500 3.901 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.301 2.883 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.711 4.821 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.815 5.895 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.701 3.829 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.145 6.365 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.861 6.545 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.920 4.060 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.436 5.236 0.686 1.00 0.00 H new ATOM 142 N VAL A 12 -1.686 3.618 -2.886 1.00 0.00 N ATOM 143 CA VAL A 12 -0.276 3.965 -2.946 1.00 0.00 C ATOM 144 C VAL A 12 -0.135 5.454 -3.269 1.00 0.00 C ATOM 145 O VAL A 12 -0.701 5.937 -4.248 1.00 0.00 O ATOM 146 CB VAL A 12 0.442 3.064 -3.953 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.857 3.574 -4.232 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.467 1.613 -3.470 1.00 0.00 C ATOM 0 H VAL A 12 -2.082 3.289 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 12 0.201 3.795 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.116 3.095 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.346 2.916 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.806 4.583 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.429 3.586 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.983 0.994 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.990 1.556 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.554 1.253 -3.346 1.00 0.00 H new ATOM 158 N PHE A 13 0.622 6.140 -2.426 1.00 0.00 N ATOM 159 CA PHE A 13 0.845 7.564 -2.609 1.00 0.00 C ATOM 160 C PHE A 13 2.059 7.819 -3.504 1.00 0.00 C ATOM 161 O PHE A 13 3.118 7.224 -3.305 1.00 0.00 O ATOM 162 CB PHE A 13 1.114 8.157 -1.224 1.00 0.00 C ATOM 163 CG PHE A 13 -0.147 8.374 -0.385 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.284 7.687 -0.676 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.130 9.253 0.652 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.454 7.888 0.103 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.300 9.455 1.431 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.437 8.768 1.141 1.00 0.00 C ATOM 0 H PHE A 13 1.089 5.736 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.025 8.018 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.790 7.495 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.628 9.111 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.297 6.989 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.773 9.798 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.357 7.343 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.287 10.154 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.326 8.921 1.734 1.00 0.00 H new ATOM 178 N ILE A 14 1.866 8.703 -4.472 1.00 0.00 N ATOM 179 CA ILE A 14 2.933 9.043 -5.398 1.00 0.00 C ATOM 180 C ILE A 14 3.010 10.565 -5.543 1.00 0.00 C ATOM 181 O ILE A 14 2.003 11.257 -5.406 1.00 0.00 O ATOM 182 CB ILE A 14 2.743 8.308 -6.727 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.470 8.775 -7.435 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.762 6.792 -6.522 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.806 9.556 -8.708 1.00 0.00 C ATOM 0 H ILE A 14 0.987 9.194 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 14 3.895 8.709 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 14 3.582 8.556 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.852 7.913 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.885 9.403 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.625 6.293 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.719 6.495 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.956 6.506 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.884 9.877 -9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.404 10.430 -8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.370 8.918 -9.388 1.00 0.00 H new ATOM 197 N ALA A 15 4.216 11.040 -5.818 1.00 0.00 N ATOM 198 CA ALA A 15 4.438 12.466 -5.982 1.00 0.00 C ATOM 199 C ALA A 15 5.047 12.727 -7.362 1.00 0.00 C ATOM 200 O ALA A 15 6.258 12.903 -7.487 1.00 0.00 O ATOM 201 CB ALA A 15 5.326 12.979 -4.847 1.00 0.00 C ATOM 0 H ALA A 15 5.049 10.463 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 15 3.495 13.010 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.492 14.049 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.836 12.796 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.283 12.458 -4.870 1.00 0.00 H new ATOM 207 N SER A 16 4.179 12.745 -8.362 1.00 0.00 N ATOM 208 CA SER A 16 4.615 12.981 -9.728 1.00 0.00 C ATOM 209 C SER A 16 5.713 14.047 -9.749 1.00 0.00 C ATOM 210 O SER A 16 6.666 13.946 -10.521 1.00 0.00 O ATOM 211 CB SER A 16 3.444 13.409 -10.615 1.00 0.00 C ATOM 212 OG SER A 16 3.072 14.766 -10.390 1.00 0.00 O ATOM 0 H SER A 16 3.175 12.600 -8.254 1.00 0.00 H new ATOM 0 HA SER A 16 5.014 12.048 -10.125 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.715 13.276 -11.662 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.588 12.762 -10.423 1.00 0.00 H new ATOM 0 HG SER A 16 2.323 15.001 -10.976 1.00 0.00 H new ATOM 218 N SER A 17 5.543 15.043 -8.892 1.00 0.00 N ATOM 219 CA SER A 17 6.508 16.126 -8.803 1.00 0.00 C ATOM 220 C SER A 17 7.438 15.901 -7.608 1.00 0.00 C ATOM 221 O SER A 17 7.093 16.240 -6.477 1.00 0.00 O ATOM 222 CB SER A 17 5.806 17.480 -8.682 1.00 0.00 C ATOM 223 OG SER A 17 6.700 18.566 -8.910 1.00 0.00 O ATOM 0 H SER A 17 4.752 15.123 -8.253 1.00 0.00 H new ATOM 0 HA SER A 17 7.099 16.134 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.986 17.529 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.367 17.574 -7.689 1.00 0.00 H new ATOM 0 HG SER A 17 6.214 19.413 -8.825 1.00 0.00 H new ATOM 229 N SER A 18 8.597 15.331 -7.901 1.00 0.00 N ATOM 230 CA SER A 18 9.579 15.058 -6.865 1.00 0.00 C ATOM 231 C SER A 18 10.975 14.955 -7.482 1.00 0.00 C ATOM 232 O SER A 18 11.218 14.107 -8.339 1.00 0.00 O ATOM 233 CB SER A 18 9.237 13.773 -6.108 1.00 0.00 C ATOM 234 OG SER A 18 8.096 13.935 -5.270 1.00 0.00 O ATOM 0 H SER A 18 8.878 15.051 -8.840 1.00 0.00 H new ATOM 0 HA SER A 18 9.564 15.883 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.052 12.970 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.091 13.470 -5.503 1.00 0.00 H new ATOM 0 HG SER A 18 7.676 14.801 -5.453 1.00 0.00 H new ATOM 240 N GLY A 19 11.857 15.830 -7.020 1.00 0.00 N ATOM 241 CA GLY A 19 13.223 15.848 -7.516 1.00 0.00 C ATOM 242 C GLY A 19 14.008 14.638 -7.004 1.00 0.00 C ATOM 243 O GLY A 19 15.020 14.793 -6.323 1.00 0.00 O ATOM 0 H GLY A 19 11.652 16.531 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.218 15.848 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.717 16.767 -7.199 1.00 0.00 H new ATOM 247 N PHE A 20 13.511 13.460 -7.353 1.00 0.00 N ATOM 248 CA PHE A 20 14.153 12.225 -6.938 1.00 0.00 C ATOM 249 C PHE A 20 13.657 11.042 -7.773 1.00 0.00 C ATOM 250 O PHE A 20 12.756 10.316 -7.355 1.00 0.00 O ATOM 251 CB PHE A 20 13.774 11.994 -5.474 1.00 0.00 C ATOM 252 CG PHE A 20 14.322 13.053 -4.515 1.00 0.00 C ATOM 253 CD1 PHE A 20 13.612 14.189 -4.279 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.518 12.859 -3.899 1.00 0.00 C ATOM 255 CE1 PHE A 20 14.120 15.172 -3.390 1.00 0.00 C ATOM 256 CE2 PHE A 20 16.027 13.842 -3.009 1.00 0.00 C ATOM 257 CZ PHE A 20 15.316 14.978 -2.773 1.00 0.00 C ATOM 0 H PHE A 20 12.671 13.335 -7.918 1.00 0.00 H new ATOM 0 HA PHE A 20 15.232 12.303 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.688 11.970 -5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.139 11.015 -5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.662 14.343 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.082 11.957 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.556 16.074 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.978 13.688 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.702 15.726 -2.096 1.00 0.00 H new ATOM 267 N VAL A 21 14.268 10.884 -8.938 1.00 0.00 N ATOM 268 CA VAL A 21 13.901 9.802 -9.835 1.00 0.00 C ATOM 269 C VAL A 21 13.884 8.484 -9.058 1.00 0.00 C ATOM 270 O VAL A 21 13.045 7.621 -9.311 1.00 0.00 O ATOM 271 CB VAL A 21 14.847 9.775 -11.038 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.179 9.117 -10.673 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.196 9.072 -12.231 1.00 0.00 C ATOM 0 H VAL A 21 15.015 11.488 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 21 12.898 9.959 -10.231 1.00 0.00 H new ATOM 0 HB VAL A 21 15.051 10.806 -11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.833 9.111 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.653 9.678 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.001 8.093 -10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.889 9.066 -13.072 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.948 8.046 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.286 9.602 -12.514 1.00 0.00 H new ATOM 283 N ALA A 22 14.820 8.371 -8.128 1.00 0.00 N ATOM 284 CA ALA A 22 14.924 7.173 -7.312 1.00 0.00 C ATOM 285 C ALA A 22 13.558 6.861 -6.697 1.00 0.00 C ATOM 286 O ALA A 22 13.173 5.697 -6.589 1.00 0.00 O ATOM 287 CB ALA A 22 16.009 7.369 -6.252 1.00 0.00 C ATOM 0 H ALA A 22 15.514 9.089 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 22 15.215 6.318 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.087 6.470 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.965 7.559 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.750 8.218 -5.619 1.00 0.00 H new ATOM 293 N ILE A 23 12.862 7.920 -6.310 1.00 0.00 N ATOM 294 CA ILE A 23 11.548 7.773 -5.709 1.00 0.00 C ATOM 295 C ILE A 23 10.586 7.174 -6.736 1.00 0.00 C ATOM 296 O ILE A 23 9.800 6.285 -6.412 1.00 0.00 O ATOM 297 CB ILE A 23 11.073 9.106 -5.126 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.947 9.531 -3.945 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.591 9.043 -4.750 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.585 10.940 -3.473 1.00 0.00 C ATOM 0 H ILE A 23 13.184 8.884 -6.401 1.00 0.00 H new ATOM 0 HA ILE A 23 11.589 7.080 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 23 11.178 9.872 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.822 8.825 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.997 9.500 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.279 10.003 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.000 8.820 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.437 8.262 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.222 11.217 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.734 11.647 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.541 10.962 -3.160 1.00 0.00 H new ATOM 312 N LYS A 24 10.679 7.684 -7.955 1.00 0.00 N ATOM 313 CA LYS A 24 9.827 7.211 -9.032 1.00 0.00 C ATOM 314 C LYS A 24 9.959 5.691 -9.151 1.00 0.00 C ATOM 315 O LYS A 24 8.996 4.961 -8.926 1.00 0.00 O ATOM 316 CB LYS A 24 10.138 7.958 -10.331 1.00 0.00 C ATOM 317 CG LYS A 24 9.186 9.141 -10.524 1.00 0.00 C ATOM 318 CD LYS A 24 9.194 10.057 -9.299 1.00 0.00 C ATOM 319 CE LYS A 24 9.384 11.519 -9.710 1.00 0.00 C ATOM 320 NZ LYS A 24 8.226 11.989 -10.504 1.00 0.00 N ATOM 0 H LYS A 24 11.332 8.421 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 24 8.781 7.425 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.168 8.315 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.052 7.276 -11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.479 9.708 -11.408 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.175 8.774 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.257 9.948 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.995 9.759 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.500 12.140 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.299 11.623 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.922 12.921 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.499 12.064 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.442 11.312 -10.409 1.00 0.00 H new ATOM 334 N LYS A 25 11.161 5.260 -9.505 1.00 0.00 N ATOM 335 CA LYS A 25 11.433 3.840 -9.656 1.00 0.00 C ATOM 336 C LYS A 25 10.717 3.068 -8.547 1.00 0.00 C ATOM 337 O LYS A 25 10.067 2.057 -8.809 1.00 0.00 O ATOM 338 CB LYS A 25 12.940 3.586 -9.709 1.00 0.00 C ATOM 339 CG LYS A 25 13.541 4.115 -11.013 1.00 0.00 C ATOM 340 CD LYS A 25 14.388 3.042 -11.701 1.00 0.00 C ATOM 341 CE LYS A 25 15.735 3.612 -12.149 1.00 0.00 C ATOM 342 NZ LYS A 25 15.966 3.328 -13.584 1.00 0.00 N ATOM 0 H LYS A 25 11.958 5.869 -9.692 1.00 0.00 H new ATOM 0 HA LYS A 25 11.039 3.475 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.424 4.069 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.135 2.517 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.742 4.437 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.156 4.991 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.551 2.208 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.851 2.647 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.757 4.688 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.537 3.178 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.884 3.722 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.966 2.300 -13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.210 3.763 -14.150 1.00 0.00 H new ATOM 356 N LYS A 26 10.860 3.573 -7.330 1.00 0.00 N ATOM 357 CA LYS A 26 10.235 2.943 -6.180 1.00 0.00 C ATOM 358 C LYS A 26 8.717 2.928 -6.374 1.00 0.00 C ATOM 359 O LYS A 26 8.081 1.883 -6.241 1.00 0.00 O ATOM 360 CB LYS A 26 10.682 3.626 -4.886 1.00 0.00 C ATOM 361 CG LYS A 26 12.181 3.429 -4.652 1.00 0.00 C ATOM 362 CD LYS A 26 12.701 4.395 -3.585 1.00 0.00 C ATOM 363 CE LYS A 26 14.181 4.140 -3.290 1.00 0.00 C ATOM 364 NZ LYS A 26 14.490 4.460 -1.879 1.00 0.00 N ATOM 0 H LYS A 26 11.400 4.412 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 26 10.556 1.905 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.455 4.691 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.122 3.219 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.372 2.402 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.722 3.586 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.565 5.423 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.119 4.280 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.424 3.097 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.800 4.747 -3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.519 4.429 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.137 5.412 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.031 3.764 -1.257 1.00 0.00 H new ATOM 378 N GLN A 27 8.180 4.098 -6.685 1.00 0.00 N ATOM 379 CA GLN A 27 6.750 4.232 -6.899 1.00 0.00 C ATOM 380 C GLN A 27 6.278 3.247 -7.971 1.00 0.00 C ATOM 381 O GLN A 27 5.199 2.668 -7.855 1.00 0.00 O ATOM 382 CB GLN A 27 6.384 5.669 -7.277 1.00 0.00 C ATOM 383 CG GLN A 27 6.393 6.579 -6.047 1.00 0.00 C ATOM 384 CD GLN A 27 6.500 8.050 -6.453 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.120 8.862 -5.786 1.00 0.00 O ATOM 386 NE2 GLN A 27 5.863 8.347 -7.582 1.00 0.00 N ATOM 0 H GLN A 27 8.710 4.963 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 27 6.240 3.995 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.090 6.045 -8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.397 5.687 -7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.482 6.423 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.230 6.315 -5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.363 7.619 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.875 9.303 -7.938 1.00 0.00 H new ATOM 395 N GLN A 28 7.110 3.087 -8.989 1.00 0.00 N ATOM 396 CA GLN A 28 6.792 2.182 -10.080 1.00 0.00 C ATOM 397 C GLN A 28 6.838 0.731 -9.597 1.00 0.00 C ATOM 398 O GLN A 28 5.831 0.027 -9.639 1.00 0.00 O ATOM 399 CB GLN A 28 7.738 2.396 -11.264 1.00 0.00 C ATOM 400 CG GLN A 28 7.329 3.626 -12.077 1.00 0.00 C ATOM 401 CD GLN A 28 6.687 3.218 -13.404 1.00 0.00 C ATOM 402 OE1 GLN A 28 5.477 3.193 -13.556 1.00 0.00 O ATOM 403 NE2 GLN A 28 7.563 2.900 -14.353 1.00 0.00 N ATOM 0 H GLN A 28 8.004 3.569 -9.081 1.00 0.00 H new ATOM 0 HA GLN A 28 5.780 2.399 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.759 2.518 -10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.731 1.514 -11.904 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.629 4.231 -11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.204 4.247 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.563 2.943 -14.159 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.234 2.614 -15.275 1.00 0.00 H new ATOM 412 N ASP A 29 8.018 0.327 -9.149 1.00 0.00 N ATOM 413 CA ASP A 29 8.209 -1.027 -8.658 1.00 0.00 C ATOM 414 C ASP A 29 6.984 -1.446 -7.843 1.00 0.00 C ATOM 415 O ASP A 29 6.604 -2.616 -7.845 1.00 0.00 O ATOM 416 CB ASP A 29 9.436 -1.115 -7.748 1.00 0.00 C ATOM 417 CG ASP A 29 10.398 -2.260 -8.069 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.897 -3.314 -8.517 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.613 -2.055 -7.860 1.00 0.00 O ATOM 0 H ASP A 29 8.851 0.914 -9.116 1.00 0.00 H new ATOM 0 HA ASP A 29 8.351 -1.681 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.982 -0.174 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.098 -1.222 -6.717 1.00 0.00 H new ATOM 424 N VAL A 30 6.401 -0.469 -7.165 1.00 0.00 N ATOM 425 CA VAL A 30 5.227 -0.722 -6.347 1.00 0.00 C ATOM 426 C VAL A 30 4.054 -1.106 -7.251 1.00 0.00 C ATOM 427 O VAL A 30 3.827 -2.287 -7.510 1.00 0.00 O ATOM 428 CB VAL A 30 4.930 0.494 -5.467 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.587 0.338 -4.751 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.061 0.735 -4.465 1.00 0.00 C ATOM 0 H VAL A 30 6.720 0.500 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 30 5.405 -1.559 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 30 4.864 1.368 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.400 1.216 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.791 0.238 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.612 -0.551 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.825 1.605 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.173 -0.140 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.992 0.912 -5.003 1.00 0.00 H new ATOM 440 N VAL A 31 3.340 -0.087 -7.706 1.00 0.00 N ATOM 441 CA VAL A 31 2.196 -0.303 -8.575 1.00 0.00 C ATOM 442 C VAL A 31 2.517 -1.428 -9.562 1.00 0.00 C ATOM 443 O VAL A 31 1.785 -2.413 -9.644 1.00 0.00 O ATOM 444 CB VAL A 31 1.809 1.006 -9.266 1.00 0.00 C ATOM 445 CG1 VAL A 31 3.020 1.930 -9.408 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.162 0.737 -10.626 1.00 0.00 C ATOM 0 H VAL A 31 3.532 0.891 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 31 1.329 -0.617 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 31 1.074 1.511 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.717 2.853 -9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.419 2.161 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.788 1.435 -10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.896 1.684 -11.096 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.864 0.200 -11.263 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.263 0.135 -10.489 1.00 0.00 H new ATOM 456 N ARG A 32 3.611 -1.244 -10.285 1.00 0.00 N ATOM 457 CA ARG A 32 4.037 -2.230 -11.263 1.00 0.00 C ATOM 458 C ARG A 32 3.764 -3.644 -10.744 1.00 0.00 C ATOM 459 O ARG A 32 3.083 -4.429 -11.402 1.00 0.00 O ATOM 460 CB ARG A 32 5.528 -2.089 -11.575 1.00 0.00 C ATOM 461 CG ARG A 32 5.800 -0.822 -12.389 1.00 0.00 C ATOM 462 CD ARG A 32 6.058 -1.160 -13.859 1.00 0.00 C ATOM 463 NE ARG A 32 5.846 0.040 -14.699 1.00 0.00 N ATOM 464 CZ ARG A 32 5.832 0.026 -16.039 1.00 0.00 C ATOM 465 NH1 ARG A 32 6.017 -1.125 -16.699 1.00 0.00 N ATOM 466 NH2 ARG A 32 5.633 1.163 -16.718 1.00 0.00 N ATOM 0 H ARG A 32 4.216 -0.426 -10.213 1.00 0.00 H new ATOM 0 HA ARG A 32 3.468 -2.057 -12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.096 -2.057 -10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.872 -2.962 -12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.949 -0.146 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.662 -0.298 -11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.077 -1.525 -13.983 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.391 -1.961 -14.179 1.00 0.00 H new ATOM 0 HE ARG A 32 5.702 0.933 -14.229 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.169 -1.991 -16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.006 -1.135 -17.719 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.492 2.039 -16.215 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.622 1.153 -17.738 1.00 0.00 H new ATOM 480 N PHE A 33 4.309 -3.924 -9.570 1.00 0.00 N ATOM 481 CA PHE A 33 4.132 -5.229 -8.955 1.00 0.00 C ATOM 482 C PHE A 33 2.648 -5.542 -8.750 1.00 0.00 C ATOM 483 O PHE A 33 2.198 -6.649 -9.040 1.00 0.00 O ATOM 484 CB PHE A 33 4.824 -5.179 -7.592 1.00 0.00 C ATOM 485 CG PHE A 33 4.864 -6.525 -6.865 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.718 -7.067 -6.373 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.047 -7.179 -6.710 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.755 -8.315 -5.698 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.084 -8.428 -6.035 1.00 0.00 C ATOM 490 CZ PHE A 33 4.938 -8.969 -5.543 1.00 0.00 C ATOM 0 H PHE A 33 4.873 -3.270 -9.028 1.00 0.00 H new ATOM 0 HA PHE A 33 4.553 -6.003 -9.597 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.844 -4.820 -7.727 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.311 -4.452 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.779 -6.548 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.957 -6.749 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.845 -8.745 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.023 -8.948 -5.913 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.967 -9.918 -5.029 1.00 0.00 H new ATOM 500 N LEU A 34 1.930 -4.547 -8.251 1.00 0.00 N ATOM 501 CA LEU A 34 0.507 -4.702 -8.004 1.00 0.00 C ATOM 502 C LEU A 34 -0.216 -4.929 -9.333 1.00 0.00 C ATOM 503 O LEU A 34 -1.051 -5.825 -9.444 1.00 0.00 O ATOM 504 CB LEU A 34 -0.031 -3.512 -7.206 1.00 0.00 C ATOM 505 CG LEU A 34 0.753 -3.139 -5.947 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.488 -1.686 -5.546 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.453 -4.112 -4.805 1.00 0.00 C ATOM 0 H LEU A 34 2.307 -3.630 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 34 0.321 -5.581 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.060 -2.643 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.060 -3.728 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 34 1.817 -3.223 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.058 -1.447 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.793 -1.024 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.575 -1.551 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.023 -3.824 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.612 -4.085 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.733 -5.122 -5.104 1.00 0.00 H new ATOM 519 N GLU A 35 0.131 -4.101 -10.307 1.00 0.00 N ATOM 520 CA GLU A 35 -0.474 -4.200 -11.624 1.00 0.00 C ATOM 521 C GLU A 35 -0.185 -5.571 -12.240 1.00 0.00 C ATOM 522 O GLU A 35 -1.098 -6.250 -12.707 1.00 0.00 O ATOM 523 CB GLU A 35 0.015 -3.075 -12.539 1.00 0.00 C ATOM 524 CG GLU A 35 -0.677 -1.753 -12.200 1.00 0.00 C ATOM 525 CD GLU A 35 -2.132 -1.759 -12.673 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.639 -2.871 -12.938 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.705 -0.651 -12.760 1.00 0.00 O ATOM 0 H GLU A 35 0.824 -3.358 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.553 -4.092 -11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.094 -2.961 -12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.181 -3.336 -13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.641 -1.585 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.142 -0.927 -12.669 1.00 0.00 H new ATOM 534 N ALA A 36 1.088 -5.936 -12.220 1.00 0.00 N ATOM 535 CA ALA A 36 1.509 -7.214 -12.770 1.00 0.00 C ATOM 536 C ALA A 36 0.807 -8.345 -12.015 1.00 0.00 C ATOM 537 O ALA A 36 0.623 -9.435 -12.555 1.00 0.00 O ATOM 538 CB ALA A 36 3.033 -7.324 -12.699 1.00 0.00 C ATOM 0 H ALA A 36 1.842 -5.370 -11.832 1.00 0.00 H new ATOM 0 HA ALA A 36 1.225 -7.292 -13.820 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.348 -8.282 -13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.483 -6.515 -13.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.355 -7.253 -11.660 1.00 0.00 H new ATOM 544 N ASN A 37 0.434 -8.047 -10.780 1.00 0.00 N ATOM 545 CA ASN A 37 -0.244 -9.025 -9.946 1.00 0.00 C ATOM 546 C ASN A 37 -1.723 -8.651 -9.828 1.00 0.00 C ATOM 547 O ASN A 37 -2.443 -9.207 -9.000 1.00 0.00 O ATOM 548 CB ASN A 37 0.351 -9.053 -8.536 1.00 0.00 C ATOM 549 CG ASN A 37 1.669 -9.830 -8.512 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.702 -11.042 -8.381 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.749 -9.066 -8.646 1.00 0.00 N ATOM 0 H ASN A 37 0.588 -7.142 -10.336 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.123 -10.005 -10.408 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.519 -8.034 -8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.358 -9.512 -7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.677 -9.490 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.650 -8.056 -8.752 1.00 0.00 H new ATOM 558 N LYS A 38 -2.132 -7.711 -10.668 1.00 0.00 N ATOM 559 CA LYS A 38 -3.512 -7.257 -10.668 1.00 0.00 C ATOM 560 C LYS A 38 -4.013 -7.162 -9.225 1.00 0.00 C ATOM 561 O LYS A 38 -5.080 -7.680 -8.900 1.00 0.00 O ATOM 562 CB LYS A 38 -4.372 -8.155 -11.560 1.00 0.00 C ATOM 563 CG LYS A 38 -4.138 -7.844 -13.039 1.00 0.00 C ATOM 564 CD LYS A 38 -4.853 -6.554 -13.447 1.00 0.00 C ATOM 565 CE LYS A 38 -6.269 -6.846 -13.947 1.00 0.00 C ATOM 566 NZ LYS A 38 -7.030 -5.587 -14.113 1.00 0.00 N ATOM 0 H LYS A 38 -1.532 -7.252 -11.353 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.584 -6.258 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.137 -9.201 -11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.425 -8.013 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.069 -7.748 -13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.497 -8.672 -13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.897 -5.874 -12.596 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.284 -6.050 -14.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.223 -7.378 -14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.783 -7.498 -13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.989 -5.803 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.090 -5.094 -13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.547 -4.978 -14.804 1.00 0.00 H new ATOM 580 N ILE A 39 -3.219 -6.496 -8.400 1.00 0.00 N ATOM 581 CA ILE A 39 -3.569 -6.326 -7.000 1.00 0.00 C ATOM 582 C ILE A 39 -4.354 -5.024 -6.829 1.00 0.00 C ATOM 583 O ILE A 39 -4.209 -4.098 -7.626 1.00 0.00 O ATOM 584 CB ILE A 39 -2.319 -6.409 -6.121 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.789 -7.843 -6.056 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.588 -5.834 -4.729 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.449 -7.900 -5.320 1.00 0.00 C ATOM 0 H ILE A 39 -2.335 -6.068 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.218 -7.137 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.540 -5.798 -6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.514 -8.480 -5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.670 -8.237 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.684 -5.905 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.883 -4.789 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.389 -6.398 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.095 -8.930 -5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.280 -7.282 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.576 -7.529 -4.303 1.00 0.00 H new ATOM 599 N GLU A 40 -5.169 -4.994 -5.785 1.00 0.00 N ATOM 600 CA GLU A 40 -5.978 -3.821 -5.500 1.00 0.00 C ATOM 601 C GLU A 40 -5.100 -2.689 -4.963 1.00 0.00 C ATOM 602 O GLU A 40 -4.347 -2.881 -4.010 1.00 0.00 O ATOM 603 CB GLU A 40 -7.102 -4.156 -4.517 1.00 0.00 C ATOM 604 CG GLU A 40 -8.430 -4.353 -5.250 1.00 0.00 C ATOM 605 CD GLU A 40 -9.499 -4.909 -4.307 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.223 -5.963 -3.694 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.568 -4.267 -4.220 1.00 0.00 O ATOM 0 H GLU A 40 -5.287 -5.763 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.440 -3.487 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.849 -5.061 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.202 -3.354 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.765 -3.402 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.289 -5.035 -6.088 1.00 0.00 H new ATOM 614 N PHE A 41 -5.225 -1.533 -5.600 1.00 0.00 N ATOM 615 CA PHE A 41 -4.452 -0.370 -5.198 1.00 0.00 C ATOM 616 C PHE A 41 -4.796 0.842 -6.066 1.00 0.00 C ATOM 617 O PHE A 41 -5.592 0.738 -6.998 1.00 0.00 O ATOM 618 CB PHE A 41 -2.977 -0.723 -5.397 1.00 0.00 C ATOM 619 CG PHE A 41 -2.461 -0.468 -6.815 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.017 0.769 -7.164 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.447 -1.478 -7.726 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.539 1.007 -8.480 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.969 -1.240 -9.041 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.525 -0.003 -9.391 1.00 0.00 C ATOM 0 H PHE A 41 -5.850 -1.377 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.673 -0.116 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.378 -0.145 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.830 -1.775 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.028 1.571 -6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.799 -2.461 -7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.187 1.990 -8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.958 -2.042 -9.764 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.161 0.177 -10.392 1.00 0.00 H new ATOM 634 N GLU A 42 -4.178 1.965 -5.729 1.00 0.00 N ATOM 635 CA GLU A 42 -4.408 3.196 -6.466 1.00 0.00 C ATOM 636 C GLU A 42 -3.257 4.177 -6.234 1.00 0.00 C ATOM 637 O GLU A 42 -2.738 4.279 -5.124 1.00 0.00 O ATOM 638 CB GLU A 42 -5.749 3.823 -6.080 1.00 0.00 C ATOM 639 CG GLU A 42 -5.799 4.134 -4.583 1.00 0.00 C ATOM 640 CD GLU A 42 -7.027 4.979 -4.238 1.00 0.00 C ATOM 641 OE1 GLU A 42 -8.117 4.377 -4.128 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.848 6.207 -4.093 1.00 0.00 O ATOM 0 H GLU A 42 -3.518 2.048 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.448 2.958 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.904 4.739 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.561 3.144 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.822 3.204 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.894 4.665 -4.288 1.00 0.00 H new ATOM 649 N GLU A 43 -2.891 4.873 -7.301 1.00 0.00 N ATOM 650 CA GLU A 43 -1.811 5.842 -7.227 1.00 0.00 C ATOM 651 C GLU A 43 -2.341 7.192 -6.740 1.00 0.00 C ATOM 652 O GLU A 43 -2.670 8.061 -7.545 1.00 0.00 O ATOM 653 CB GLU A 43 -1.109 5.984 -8.579 1.00 0.00 C ATOM 654 CG GLU A 43 -0.038 4.906 -8.757 1.00 0.00 C ATOM 655 CD GLU A 43 -0.111 4.287 -10.154 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.240 4.221 -10.688 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.963 3.893 -10.658 1.00 0.00 O ATOM 0 H GLU A 43 -3.323 4.785 -8.221 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.075 5.482 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.842 5.910 -9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.653 6.971 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.949 5.340 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.170 4.129 -8.004 1.00 0.00 H new ATOM 664 N VAL A 44 -2.407 7.325 -5.423 1.00 0.00 N ATOM 665 CA VAL A 44 -2.892 8.555 -4.819 1.00 0.00 C ATOM 666 C VAL A 44 -1.858 9.663 -5.028 1.00 0.00 C ATOM 667 O VAL A 44 -0.893 9.766 -4.272 1.00 0.00 O ATOM 668 CB VAL A 44 -3.224 8.317 -3.344 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.850 9.564 -2.716 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.138 7.102 -3.177 1.00 0.00 C ATOM 0 H VAL A 44 -2.133 6.602 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.816 8.878 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.291 8.109 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.077 9.369 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.151 10.397 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.769 9.816 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.358 6.955 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.067 7.268 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.640 6.216 -3.570 1.00 0.00 H new ATOM 680 N ASP A 45 -2.094 10.463 -6.057 1.00 0.00 N ATOM 681 CA ASP A 45 -1.195 11.559 -6.375 1.00 0.00 C ATOM 682 C ASP A 45 -1.183 12.556 -5.214 1.00 0.00 C ATOM 683 O ASP A 45 -2.040 13.435 -5.137 1.00 0.00 O ATOM 684 CB ASP A 45 -1.655 12.302 -7.631 1.00 0.00 C ATOM 685 CG ASP A 45 -0.647 13.305 -8.194 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.314 13.618 -7.459 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.859 13.735 -9.349 1.00 0.00 O ATOM 0 H ASP A 45 -2.895 10.374 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.202 11.142 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.886 11.569 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.582 12.829 -7.404 1.00 0.00 H new ATOM 692 N ILE A 46 -0.203 12.385 -4.340 1.00 0.00 N ATOM 693 CA ILE A 46 -0.068 13.259 -3.186 1.00 0.00 C ATOM 694 C ILE A 46 0.373 14.648 -3.653 1.00 0.00 C ATOM 695 O ILE A 46 0.061 15.650 -3.012 1.00 0.00 O ATOM 696 CB ILE A 46 0.866 12.634 -2.148 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.202 12.238 -2.779 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.193 11.455 -1.443 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.333 12.294 -1.750 1.00 0.00 C ATOM 0 H ILE A 46 0.506 11.654 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.028 13.381 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 46 1.080 13.384 -1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.130 11.231 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.428 12.906 -3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.879 11.029 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.709 11.800 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.071 10.694 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.271 12.008 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.419 13.308 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.116 11.606 -0.933 1.00 0.00 H new ATOM 711 N THR A 47 1.091 14.663 -4.766 1.00 0.00 N ATOM 712 CA THR A 47 1.577 15.912 -5.326 1.00 0.00 C ATOM 713 C THR A 47 0.406 16.781 -5.789 1.00 0.00 C ATOM 714 O THR A 47 0.333 17.962 -5.451 1.00 0.00 O ATOM 715 CB THR A 47 2.564 15.576 -6.446 1.00 0.00 C ATOM 716 OG1 THR A 47 3.843 15.811 -5.864 1.00 0.00 O ATOM 717 CG2 THR A 47 2.494 16.571 -7.606 1.00 0.00 C ATOM 0 H THR A 47 1.348 13.830 -5.295 1.00 0.00 H new ATOM 0 HA THR A 47 2.103 16.503 -4.576 1.00 0.00 H new ATOM 0 HB THR A 47 2.363 14.571 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.108 16.741 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.214 16.287 -8.373 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.490 16.565 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.728 17.571 -7.242 1.00 0.00 H new ATOM 725 N MET A 48 -0.482 16.163 -6.554 1.00 0.00 N ATOM 726 CA MET A 48 -1.646 16.865 -7.066 1.00 0.00 C ATOM 727 C MET A 48 -2.757 16.924 -6.016 1.00 0.00 C ATOM 728 O MET A 48 -3.368 17.971 -5.811 1.00 0.00 O ATOM 729 CB MET A 48 -2.163 16.152 -8.317 1.00 0.00 C ATOM 730 CG MET A 48 -1.208 16.350 -9.496 1.00 0.00 C ATOM 731 SD MET A 48 -1.345 18.018 -10.118 1.00 0.00 S ATOM 732 CE MET A 48 0.168 18.122 -11.060 1.00 0.00 C ATOM 0 H MET A 48 -0.418 15.184 -6.832 1.00 0.00 H new ATOM 0 HA MET A 48 -1.352 17.885 -7.314 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.277 15.088 -8.112 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.150 16.535 -8.576 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.183 16.153 -9.182 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.441 15.638 -10.287 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.243 19.107 -11.520 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.020 17.964 -10.399 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.166 17.358 -11.837 1.00 0.00 H new ATOM 742 N SER A 49 -2.984 15.785 -5.377 1.00 0.00 N ATOM 743 CA SER A 49 -4.011 15.694 -4.353 1.00 0.00 C ATOM 744 C SER A 49 -3.763 16.745 -3.269 1.00 0.00 C ATOM 745 O SER A 49 -4.702 17.374 -2.783 1.00 0.00 O ATOM 746 CB SER A 49 -4.051 14.294 -3.736 1.00 0.00 C ATOM 747 OG SER A 49 -4.394 13.298 -4.695 1.00 0.00 O ATOM 0 H SER A 49 -2.475 14.918 -5.549 1.00 0.00 H new ATOM 0 HA SER A 49 -4.978 15.884 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.078 14.061 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.775 14.277 -2.921 1.00 0.00 H new ATOM 0 HG SER A 49 -3.648 13.174 -5.319 1.00 0.00 H new ATOM 753 N GLU A 50 -2.495 16.902 -2.921 1.00 0.00 N ATOM 754 CA GLU A 50 -2.112 17.866 -1.903 1.00 0.00 C ATOM 755 C GLU A 50 -2.608 17.412 -0.529 1.00 0.00 C ATOM 756 O GLU A 50 -1.809 17.158 0.371 1.00 0.00 O ATOM 757 CB GLU A 50 -2.639 19.261 -2.243 1.00 0.00 C ATOM 758 CG GLU A 50 -2.095 20.306 -1.266 1.00 0.00 C ATOM 759 CD GLU A 50 -3.093 21.451 -1.076 1.00 0.00 C ATOM 760 OE1 GLU A 50 -3.065 22.373 -1.920 1.00 0.00 O ATOM 761 OE2 GLU A 50 -3.860 21.378 -0.092 1.00 0.00 O ATOM 0 H GLU A 50 -1.719 16.378 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.024 17.922 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.351 19.525 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.729 19.260 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.887 19.837 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.150 20.701 -1.639 1.00 0.00 H new ATOM 768 N GLU A 51 -3.925 17.324 -0.410 1.00 0.00 N ATOM 769 CA GLU A 51 -4.538 16.905 0.839 1.00 0.00 C ATOM 770 C GLU A 51 -4.046 15.510 1.230 1.00 0.00 C ATOM 771 O GLU A 51 -3.792 15.244 2.404 1.00 0.00 O ATOM 772 CB GLU A 51 -6.064 16.941 0.741 1.00 0.00 C ATOM 773 CG GLU A 51 -6.700 17.071 2.126 1.00 0.00 C ATOM 774 CD GLU A 51 -8.224 16.969 2.041 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.711 15.825 1.910 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.869 18.038 2.109 1.00 0.00 O ATOM 0 H GLU A 51 -4.585 17.536 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.241 17.606 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.372 17.779 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.422 16.033 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.316 16.289 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.420 18.026 2.571 1.00 0.00 H new ATOM 783 N GLN A 52 -3.926 14.657 0.224 1.00 0.00 N ATOM 784 CA GLN A 52 -3.470 13.295 0.448 1.00 0.00 C ATOM 785 C GLN A 52 -2.041 13.298 0.995 1.00 0.00 C ATOM 786 O GLN A 52 -1.684 12.450 1.811 1.00 0.00 O ATOM 787 CB GLN A 52 -3.564 12.468 -0.836 1.00 0.00 C ATOM 788 CG GLN A 52 -5.001 12.428 -1.359 1.00 0.00 C ATOM 789 CD GLN A 52 -5.799 11.310 -0.685 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.490 10.863 0.408 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.840 10.885 -1.394 1.00 0.00 N ATOM 0 H GLN A 52 -4.136 14.882 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.121 12.831 1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.909 12.894 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.214 11.453 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.485 13.387 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.995 12.276 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.043 11.302 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.436 10.142 -1.030 1.00 0.00 H new ATOM 800 N ARG A 53 -1.263 14.261 0.524 1.00 0.00 N ATOM 801 CA ARG A 53 0.119 14.385 0.956 1.00 0.00 C ATOM 802 C ARG A 53 0.181 14.700 2.452 1.00 0.00 C ATOM 803 O ARG A 53 0.613 13.868 3.248 1.00 0.00 O ATOM 804 CB ARG A 53 0.842 15.487 0.180 1.00 0.00 C ATOM 805 CG ARG A 53 2.359 15.294 0.238 1.00 0.00 C ATOM 806 CD ARG A 53 3.043 15.961 -0.957 1.00 0.00 C ATOM 807 NE ARG A 53 3.823 17.134 -0.504 1.00 0.00 N ATOM 808 CZ ARG A 53 4.423 18.002 -1.330 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.336 17.835 -2.656 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.110 19.038 -0.829 1.00 0.00 N ATOM 0 H ARG A 53 -1.563 14.963 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 53 0.614 13.434 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.511 15.483 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.580 16.460 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.747 15.715 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.594 14.230 0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.700 15.248 -1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.296 16.271 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 53 3.909 17.292 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.813 17.047 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.793 18.496 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.176 19.166 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.567 19.699 -1.458 1.00 0.00 H new ATOM 824 N GLN A 54 -0.257 15.904 2.790 1.00 0.00 N ATOM 825 CA GLN A 54 -0.257 16.339 4.176 1.00 0.00 C ATOM 826 C GLN A 54 -0.710 15.199 5.090 1.00 0.00 C ATOM 827 O GLN A 54 -0.093 14.945 6.123 1.00 0.00 O ATOM 828 CB GLN A 54 -1.139 17.576 4.363 1.00 0.00 C ATOM 829 CG GLN A 54 -0.720 18.697 3.410 1.00 0.00 C ATOM 830 CD GLN A 54 0.795 18.906 3.442 1.00 0.00 C ATOM 831 OE1 GLN A 54 1.435 18.844 4.479 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.332 19.155 2.251 1.00 0.00 N ATOM 0 H GLN A 54 -0.614 16.592 2.127 1.00 0.00 H new ATOM 0 HA GLN A 54 0.761 16.615 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.182 17.314 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.069 17.925 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.036 18.454 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.224 19.623 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.739 19.193 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.337 19.308 2.167 1.00 0.00 H new ATOM 841 N TRP A 55 -1.785 14.543 4.677 1.00 0.00 N ATOM 842 CA TRP A 55 -2.327 13.436 5.446 1.00 0.00 C ATOM 843 C TRP A 55 -1.195 12.440 5.704 1.00 0.00 C ATOM 844 O TRP A 55 -0.948 12.059 6.847 1.00 0.00 O ATOM 845 CB TRP A 55 -3.525 12.807 4.731 1.00 0.00 C ATOM 846 CG TRP A 55 -4.234 11.721 5.543 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.294 11.855 6.351 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.888 10.321 5.591 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.655 10.648 6.915 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.773 9.686 6.438 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.861 9.614 4.941 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.721 8.314 6.713 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.823 8.244 5.226 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.706 7.590 6.077 1.00 0.00 C ATOM 0 H TRP A 55 -2.295 14.757 3.820 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.710 13.784 6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.242 13.591 4.487 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.188 12.379 3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.802 12.790 6.538 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.427 10.491 7.563 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.157 10.090 4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.426 7.840 7.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.053 7.654 4.751 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.609 6.528 6.247 1.00 0.00 H new ATOM 865 N MET A 56 -0.537 12.047 4.623 1.00 0.00 N ATOM 866 CA MET A 56 0.563 11.102 4.719 1.00 0.00 C ATOM 867 C MET A 56 1.551 11.521 5.809 1.00 0.00 C ATOM 868 O MET A 56 1.901 10.721 6.675 1.00 0.00 O ATOM 869 CB MET A 56 1.288 11.026 3.374 1.00 0.00 C ATOM 870 CG MET A 56 2.367 9.941 3.394 1.00 0.00 C ATOM 871 SD MET A 56 3.958 10.670 3.748 1.00 0.00 S ATOM 872 CE MET A 56 4.227 11.576 2.234 1.00 0.00 C ATOM 0 H MET A 56 -0.744 12.366 3.676 1.00 0.00 H new ATOM 0 HA MET A 56 0.157 10.124 4.979 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.570 10.816 2.581 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.741 11.991 3.146 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.126 9.190 4.147 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.398 9.429 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.252 11.947 2.209 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.059 10.918 1.381 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.535 12.417 2.185 1.00 0.00 H new ATOM 882 N TYR A 57 1.974 12.774 5.731 1.00 0.00 N ATOM 883 CA TYR A 57 2.915 13.309 6.700 1.00 0.00 C ATOM 884 C TYR A 57 2.372 13.174 8.124 1.00 0.00 C ATOM 885 O TYR A 57 3.118 13.309 9.092 1.00 0.00 O ATOM 886 CB TYR A 57 3.069 14.793 6.364 1.00 0.00 C ATOM 887 CG TYR A 57 4.047 15.075 5.221 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.076 14.245 4.119 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.899 16.158 5.293 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.997 14.510 3.043 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.819 16.422 4.218 1.00 0.00 C ATOM 892 CZ TYR A 57 5.822 15.586 3.146 1.00 0.00 C ATOM 893 OH TYR A 57 6.692 15.836 2.130 1.00 0.00 O ATOM 0 H TYR A 57 1.682 13.435 5.011 1.00 0.00 H new ATOM 0 HA TYR A 57 3.861 12.770 6.654 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.092 15.199 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.405 15.324 7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.409 13.397 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.876 16.807 6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.031 13.869 2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.492 17.266 4.262 1.00 0.00 H new ATOM 0 HH TYR A 57 7.193 15.020 1.920 1.00 0.00 H new ATOM 903 N LYS A 58 1.076 12.909 8.206 1.00 0.00 N ATOM 904 CA LYS A 58 0.424 12.754 9.496 1.00 0.00 C ATOM 905 C LYS A 58 0.263 11.264 9.805 1.00 0.00 C ATOM 906 O LYS A 58 -0.141 10.896 10.907 1.00 0.00 O ATOM 907 CB LYS A 58 -0.891 13.535 9.528 1.00 0.00 C ATOM 908 CG LYS A 58 -0.655 15.019 9.244 1.00 0.00 C ATOM 909 CD LYS A 58 -1.587 15.894 10.085 1.00 0.00 C ATOM 910 CE LYS A 58 -1.852 17.234 9.395 1.00 0.00 C ATOM 911 NZ LYS A 58 -1.773 18.343 10.372 1.00 0.00 N ATOM 0 H LYS A 58 0.460 12.798 7.401 1.00 0.00 H new ATOM 0 HA LYS A 58 1.040 13.179 10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.580 13.125 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.363 13.419 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.382 15.274 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.818 15.221 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.530 15.373 10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.143 16.067 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.124 17.390 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.837 17.221 8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.955 19.245 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.484 18.200 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.824 18.364 10.798 1.00 0.00 H new ATOM 925 N ASN A 59 0.587 10.448 8.814 1.00 0.00 N ATOM 926 CA ASN A 59 0.484 9.007 8.966 1.00 0.00 C ATOM 927 C ASN A 59 1.857 8.373 8.734 1.00 0.00 C ATOM 928 O ASN A 59 1.956 7.293 8.154 1.00 0.00 O ATOM 929 CB ASN A 59 -0.490 8.413 7.946 1.00 0.00 C ATOM 930 CG ASN A 59 -1.918 8.897 8.204 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.836 8.121 8.409 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.052 10.220 8.184 1.00 0.00 N ATOM 0 H ASN A 59 0.921 10.757 7.901 1.00 0.00 H new ATOM 0 HA ASN A 59 0.122 8.800 9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.183 8.695 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.456 7.325 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.966 10.643 8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.241 10.812 8.006 1.00 0.00 H new ATOM 939 N VAL A 60 2.882 9.073 9.198 1.00 0.00 N ATOM 940 CA VAL A 60 4.245 8.593 9.048 1.00 0.00 C ATOM 941 C VAL A 60 5.115 9.183 10.159 1.00 0.00 C ATOM 942 O VAL A 60 5.323 10.394 10.212 1.00 0.00 O ATOM 943 CB VAL A 60 4.763 8.919 7.646 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.215 8.466 7.479 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.868 8.297 6.572 1.00 0.00 C ATOM 0 H VAL A 60 2.796 9.969 9.678 1.00 0.00 H new ATOM 0 HA VAL A 60 4.281 7.508 9.149 1.00 0.00 H new ATOM 0 HB VAL A 60 4.733 10.001 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.559 8.710 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.842 8.976 8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.280 7.389 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.259 8.544 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.851 7.214 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.856 8.689 6.670 1.00 0.00 H new ATOM 955 N PRO A 61 5.612 8.277 11.043 1.00 0.00 N ATOM 956 CA PRO A 61 6.455 8.696 12.150 1.00 0.00 C ATOM 957 C PRO A 61 7.863 9.048 11.665 1.00 0.00 C ATOM 958 O PRO A 61 8.193 8.835 10.499 1.00 0.00 O ATOM 959 CB PRO A 61 6.436 7.528 13.123 1.00 0.00 C ATOM 960 CG PRO A 61 5.968 6.325 12.320 1.00 0.00 C ATOM 961 CD PRO A 61 5.387 6.835 11.011 1.00 0.00 C ATOM 0 HA PRO A 61 6.095 9.605 12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.426 7.355 13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.764 7.726 13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.799 5.646 12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.218 5.763 12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.880 6.376 10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.325 6.601 10.931 1.00 0.00 H new ATOM 969 N PRO A 62 8.676 9.594 12.608 1.00 0.00 N ATOM 970 CA PRO A 62 10.040 9.977 12.289 1.00 0.00 C ATOM 971 C PRO A 62 10.943 8.747 12.175 1.00 0.00 C ATOM 972 O PRO A 62 11.902 8.746 11.405 1.00 0.00 O ATOM 973 CB PRO A 62 10.457 10.917 13.409 1.00 0.00 C ATOM 974 CG PRO A 62 9.486 10.662 14.551 1.00 0.00 C ATOM 975 CD PRO A 62 8.319 9.860 13.999 1.00 0.00 C ATOM 0 HA PRO A 62 10.122 10.471 11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.484 10.724 13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.413 11.956 13.083 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.978 10.116 15.356 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.136 11.604 14.973 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.177 8.934 14.555 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.386 10.420 14.068 1.00 0.00 H new ATOM 983 N GLU A 63 10.603 7.729 12.951 1.00 0.00 N ATOM 984 CA GLU A 63 11.371 6.495 12.947 1.00 0.00 C ATOM 985 C GLU A 63 11.230 5.788 11.597 1.00 0.00 C ATOM 986 O GLU A 63 12.088 4.993 11.217 1.00 0.00 O ATOM 987 CB GLU A 63 10.941 5.578 14.093 1.00 0.00 C ATOM 988 CG GLU A 63 9.417 5.545 14.228 1.00 0.00 C ATOM 989 CD GLU A 63 8.959 4.279 14.954 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.653 3.251 14.798 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.923 4.367 15.649 1.00 0.00 O ATOM 0 H GLU A 63 9.806 7.733 13.587 1.00 0.00 H new ATOM 0 HA GLU A 63 12.422 6.743 13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.316 4.570 13.917 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.385 5.924 15.026 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.077 6.425 14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.960 5.587 13.240 1.00 0.00 H new ATOM 998 N LYS A 64 10.143 6.104 10.910 1.00 0.00 N ATOM 999 CA LYS A 64 9.879 5.509 9.610 1.00 0.00 C ATOM 1000 C LYS A 64 10.279 6.496 8.512 1.00 0.00 C ATOM 1001 O LYS A 64 10.581 6.093 7.390 1.00 0.00 O ATOM 1002 CB LYS A 64 8.425 5.043 9.519 1.00 0.00 C ATOM 1003 CG LYS A 64 8.089 4.071 10.652 1.00 0.00 C ATOM 1004 CD LYS A 64 8.632 2.672 10.353 1.00 0.00 C ATOM 1005 CE LYS A 64 7.641 1.868 9.509 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.214 0.551 9.151 1.00 0.00 N ATOM 0 H LYS A 64 9.434 6.765 11.228 1.00 0.00 H new ATOM 0 HA LYS A 64 10.485 4.614 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.760 5.905 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.254 4.559 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.512 4.437 11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.008 4.024 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.583 2.752 9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.829 2.147 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.712 1.729 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.393 2.421 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.529 0.018 8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.088 0.690 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.429 0.018 10.018 1.00 0.00 H new ATOM 1020 N LYS A 65 10.268 7.771 8.873 1.00 0.00 N ATOM 1021 CA LYS A 65 10.625 8.819 7.932 1.00 0.00 C ATOM 1022 C LYS A 65 11.883 8.403 7.167 1.00 0.00 C ATOM 1023 O LYS A 65 12.928 8.158 7.768 1.00 0.00 O ATOM 1024 CB LYS A 65 10.758 10.162 8.652 1.00 0.00 C ATOM 1025 CG LYS A 65 9.456 10.961 8.567 1.00 0.00 C ATOM 1026 CD LYS A 65 9.603 12.323 9.249 1.00 0.00 C ATOM 1027 CE LYS A 65 8.384 12.635 10.119 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.566 13.925 10.822 1.00 0.00 N ATOM 0 H LYS A 65 10.017 8.102 9.805 1.00 0.00 H new ATOM 0 HA LYS A 65 9.834 8.956 7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.018 9.994 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.571 10.737 8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.179 11.101 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.649 10.400 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.504 12.331 9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.724 13.100 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.488 12.675 9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.234 11.836 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.730 14.122 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.410 13.874 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.687 14.687 10.124 1.00 0.00 H new ATOM 1042 N PRO A 66 11.738 8.335 5.816 1.00 0.00 N ATOM 1043 CA PRO A 66 12.850 7.954 4.962 1.00 0.00 C ATOM 1044 C PRO A 66 13.858 9.098 4.831 1.00 0.00 C ATOM 1045 O PRO A 66 13.859 10.024 5.640 1.00 0.00 O ATOM 1046 CB PRO A 66 12.214 7.568 3.637 1.00 0.00 C ATOM 1047 CG PRO A 66 10.825 8.186 3.645 1.00 0.00 C ATOM 1048 CD PRO A 66 10.516 8.618 5.069 1.00 0.00 C ATOM 0 HA PRO A 66 13.427 7.123 5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.802 7.940 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.159 6.485 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.783 9.040 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.085 7.466 3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.260 9.677 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.667 8.067 5.475 1.00 0.00 H new ATOM 1056 N THR A 67 14.691 8.995 3.806 1.00 0.00 N ATOM 1057 CA THR A 67 15.701 10.009 3.558 1.00 0.00 C ATOM 1058 C THR A 67 15.127 11.406 3.806 1.00 0.00 C ATOM 1059 O THR A 67 13.940 11.641 3.587 1.00 0.00 O ATOM 1060 CB THR A 67 16.229 9.813 2.135 1.00 0.00 C ATOM 1061 OG1 THR A 67 17.108 8.697 2.242 1.00 0.00 O ATOM 1062 CG2 THR A 67 17.135 10.960 1.684 1.00 0.00 C ATOM 0 H THR A 67 14.687 8.225 3.138 1.00 0.00 H new ATOM 0 HA THR A 67 16.539 9.909 4.248 1.00 0.00 H new ATOM 0 HB THR A 67 15.390 9.721 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.494 8.499 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 67 17.482 10.771 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.577 11.896 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.992 11.031 2.353 1.00 0.00 H new ATOM 1070 N GLN A 68 15.997 12.296 4.260 1.00 0.00 N ATOM 1071 CA GLN A 68 15.592 13.663 4.540 1.00 0.00 C ATOM 1072 C GLN A 68 14.590 13.693 5.696 1.00 0.00 C ATOM 1073 O GLN A 68 14.327 12.666 6.321 1.00 0.00 O ATOM 1074 CB GLN A 68 15.009 14.329 3.292 1.00 0.00 C ATOM 1075 CG GLN A 68 16.110 14.658 2.282 1.00 0.00 C ATOM 1076 CD GLN A 68 16.825 15.958 2.654 1.00 0.00 C ATOM 1077 OE1 GLN A 68 16.231 16.909 3.134 1.00 0.00 O ATOM 1078 NE2 GLN A 68 18.132 15.946 2.407 1.00 0.00 N ATOM 0 H GLN A 68 16.981 12.097 4.441 1.00 0.00 H new ATOM 0 HA GLN A 68 16.475 14.230 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.274 13.668 2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.484 15.242 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.830 13.841 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.679 14.749 1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.567 15.116 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.699 16.766 2.621 1.00 0.00 H new ATOM 1087 N GLY A 69 14.059 14.880 5.946 1.00 0.00 N ATOM 1088 CA GLY A 69 13.092 15.058 7.016 1.00 0.00 C ATOM 1089 C GLY A 69 11.707 14.567 6.590 1.00 0.00 C ATOM 1090 O GLY A 69 11.391 13.387 6.734 1.00 0.00 O ATOM 0 H GLY A 69 14.280 15.729 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.419 14.512 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.039 16.111 7.292 1.00 0.00 H new ATOM 1094 N ASN A 70 10.917 15.497 6.074 1.00 0.00 N ATOM 1095 CA ASN A 70 9.573 15.174 5.626 1.00 0.00 C ATOM 1096 C ASN A 70 9.586 13.811 4.931 1.00 0.00 C ATOM 1097 O ASN A 70 10.572 13.444 4.293 1.00 0.00 O ATOM 1098 CB ASN A 70 9.063 16.211 4.623 1.00 0.00 C ATOM 1099 CG ASN A 70 10.139 16.550 3.589 1.00 0.00 C ATOM 1100 OD1 ASN A 70 10.255 15.923 2.548 1.00 0.00 O ATOM 1101 ND2 ASN A 70 10.916 17.573 3.932 1.00 0.00 N ATOM 0 H ASN A 70 11.182 16.475 5.956 1.00 0.00 H new ATOM 0 HA ASN A 70 8.920 15.164 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.176 15.828 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.763 17.116 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.664 17.877 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.764 18.054 4.819 1.00 0.00 H new ATOM 1108 N PRO A 71 8.450 13.078 5.083 1.00 0.00 N ATOM 1109 CA PRO A 71 8.321 11.764 4.477 1.00 0.00 C ATOM 1110 C PRO A 71 8.090 11.874 2.969 1.00 0.00 C ATOM 1111 O PRO A 71 7.321 12.721 2.516 1.00 0.00 O ATOM 1112 CB PRO A 71 7.163 11.106 5.209 1.00 0.00 C ATOM 1113 CG PRO A 71 6.391 12.236 5.870 1.00 0.00 C ATOM 1114 CD PRO A 71 7.263 13.481 5.831 1.00 0.00 C ATOM 0 HA PRO A 71 9.227 11.166 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.528 10.552 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.524 10.394 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.450 12.412 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.141 11.977 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.749 14.309 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.522 13.815 6.836 1.00 0.00 H new ATOM 1122 N LEU A 72 8.770 11.007 2.233 1.00 0.00 N ATOM 1123 CA LEU A 72 8.648 10.997 0.785 1.00 0.00 C ATOM 1124 C LEU A 72 8.077 9.651 0.335 1.00 0.00 C ATOM 1125 O LEU A 72 8.154 8.665 1.066 1.00 0.00 O ATOM 1126 CB LEU A 72 9.987 11.347 0.133 1.00 0.00 C ATOM 1127 CG LEU A 72 10.553 12.729 0.463 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.031 12.823 0.077 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.720 13.834 -0.189 1.00 0.00 C ATOM 0 H LEU A 72 9.407 10.307 2.612 1.00 0.00 H new ATOM 0 HA LEU A 72 7.949 11.766 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.720 10.596 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.873 11.272 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 72 10.491 12.874 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.409 13.816 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.599 12.073 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.139 12.648 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.145 14.806 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.726 13.704 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.695 13.781 0.177 1.00 0.00 H new ATOM 1141 N PRO A 73 7.503 9.653 -0.898 1.00 0.00 N ATOM 1142 CA PRO A 73 6.920 8.444 -1.454 1.00 0.00 C ATOM 1143 C PRO A 73 8.008 7.477 -1.924 1.00 0.00 C ATOM 1144 O PRO A 73 9.180 7.843 -1.998 1.00 0.00 O ATOM 1145 CB PRO A 73 6.023 8.924 -2.583 1.00 0.00 C ATOM 1146 CG PRO A 73 6.491 10.330 -2.919 1.00 0.00 C ATOM 1147 CD PRO A 73 7.394 10.802 -1.791 1.00 0.00 C ATOM 0 HA PRO A 73 6.346 7.877 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.102 8.268 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.977 8.923 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.029 10.337 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.638 11.000 -3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.371 11.106 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.968 11.664 -1.277 1.00 0.00 H new ATOM 1155 N PRO A 74 7.570 6.228 -2.239 1.00 0.00 N ATOM 1156 CA PRO A 74 6.165 5.876 -2.123 1.00 0.00 C ATOM 1157 C PRO A 74 5.767 5.685 -0.658 1.00 0.00 C ATOM 1158 O PRO A 74 6.623 5.476 0.200 1.00 0.00 O ATOM 1159 CB PRO A 74 6.007 4.612 -2.952 1.00 0.00 C ATOM 1160 CG PRO A 74 7.407 4.044 -3.118 1.00 0.00 C ATOM 1161 CD PRO A 74 8.398 5.122 -2.711 1.00 0.00 C ATOM 0 HA PRO A 74 5.503 6.661 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.352 3.897 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.558 4.834 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.534 3.155 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.576 3.740 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.069 4.768 -1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.021 5.425 -3.552 1.00 0.00 H new ATOM 1169 N GLN A 75 4.466 5.764 -0.417 1.00 0.00 N ATOM 1170 CA GLN A 75 3.944 5.602 0.929 1.00 0.00 C ATOM 1171 C GLN A 75 2.692 4.723 0.910 1.00 0.00 C ATOM 1172 O GLN A 75 1.587 5.205 1.154 1.00 0.00 O ATOM 1173 CB GLN A 75 3.651 6.960 1.571 1.00 0.00 C ATOM 1174 CG GLN A 75 4.926 7.583 2.142 1.00 0.00 C ATOM 1175 CD GLN A 75 5.345 6.884 3.438 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.571 6.191 4.077 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.609 7.103 3.787 1.00 0.00 N ATOM 0 H GLN A 75 3.759 5.938 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 75 4.703 5.107 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.215 7.630 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.914 6.840 2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.730 7.511 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.763 8.644 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.203 7.694 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.984 6.680 4.636 1.00 0.00 H new ATOM 1186 N ILE A 76 2.907 3.449 0.618 1.00 0.00 N ATOM 1187 CA ILE A 76 1.809 2.498 0.564 1.00 0.00 C ATOM 1188 C ILE A 76 0.899 2.707 1.776 1.00 0.00 C ATOM 1189 O ILE A 76 1.380 2.905 2.891 1.00 0.00 O ATOM 1190 CB ILE A 76 2.343 1.070 0.435 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.093 0.882 -0.885 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.219 0.046 0.607 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.572 0.579 -0.638 1.00 0.00 C ATOM 0 H ILE A 76 3.825 3.053 0.416 1.00 0.00 H new ATOM 0 HA ILE A 76 1.201 2.668 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 76 3.059 0.900 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.641 0.068 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.999 1.783 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.626 -0.961 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.768 0.162 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.461 0.206 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.081 0.450 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.027 1.406 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.663 -0.335 -0.052 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.399 2.655 1.517 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.381 2.837 2.573 1.00 0.00 C ATOM 1207 C PHE A 77 -2.633 1.999 2.307 1.00 0.00 C ATOM 1208 O PHE A 77 -3.423 2.321 1.421 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.764 4.318 2.578 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.792 5.210 3.352 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.578 4.993 4.678 1.00 0.00 C ATOM 1212 CD2 PHE A 77 -0.141 6.219 2.715 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.325 5.821 5.396 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.762 7.047 3.433 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.976 6.831 4.759 1.00 0.00 C ATOM 0 H PHE A 77 -0.794 2.489 0.591 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.962 2.522 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.823 4.671 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.760 4.424 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.095 4.191 5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.311 6.391 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.495 5.649 6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.279 7.848 2.926 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.662 7.461 5.305 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.775 0.940 3.091 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.918 0.053 2.951 1.00 0.00 C ATOM 1227 C ASN A 78 -5.128 0.674 3.651 1.00 0.00 C ATOM 1228 O ASN A 78 -5.330 0.470 4.847 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.643 -1.306 3.598 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.797 -2.278 3.343 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.957 -1.976 3.567 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.414 -3.458 2.865 1.00 0.00 N ATOM 0 H ASN A 78 -2.118 0.676 3.825 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.109 -0.086 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.718 -1.722 3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.500 -1.180 4.671 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.109 -4.176 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.425 -3.645 2.700 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.902 1.420 2.876 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.087 2.072 3.407 1.00 0.00 C ATOM 1241 C GLY A 79 -6.746 2.905 4.645 1.00 0.00 C ATOM 1242 O GLY A 79 -7.384 2.764 5.687 1.00 0.00 O ATOM 0 H GLY A 79 -5.731 1.587 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.527 2.713 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.835 1.322 3.664 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.742 3.755 4.488 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.309 4.611 5.580 1.00 0.00 C ATOM 1248 C ASP A 80 -4.297 3.855 6.444 1.00 0.00 C ATOM 1249 O ASP A 80 -3.349 4.448 6.957 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.488 5.007 6.470 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.791 5.304 5.724 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.702 5.978 4.675 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.845 4.851 6.220 1.00 0.00 O ATOM 0 H ASP A 80 -5.216 3.869 3.622 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.865 5.509 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.671 4.204 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.208 5.889 7.047 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.532 2.558 6.577 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.653 1.716 7.370 1.00 0.00 C ATOM 1260 C ARG A 81 -2.215 1.820 6.859 1.00 0.00 C ATOM 1261 O ARG A 81 -1.915 1.390 5.746 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.100 0.254 7.321 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.540 -0.531 8.509 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.023 -1.983 8.485 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.106 -2.173 9.475 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.955 -3.209 9.470 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.851 -4.156 8.527 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.908 -3.300 10.408 1.00 0.00 N ATOM 0 H ARG A 81 -5.319 2.070 6.149 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.701 2.065 8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.189 0.203 7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.765 -0.201 6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.451 -0.506 8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.849 -0.057 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.382 -2.239 7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.194 -2.654 8.708 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.213 -1.471 10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.125 -4.088 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.497 -4.945 8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.987 -2.580 11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.554 -4.089 10.404 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.363 2.394 7.696 1.00 0.00 N ATOM 1283 CA TYR A 82 0.036 2.560 7.343 1.00 0.00 C ATOM 1284 C TYR A 82 0.692 1.209 7.049 1.00 0.00 C ATOM 1285 O TYR A 82 0.788 0.357 7.931 1.00 0.00 O ATOM 1286 CB TYR A 82 0.709 3.184 8.567 1.00 0.00 C ATOM 1287 CG TYR A 82 2.168 3.585 8.339 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.689 3.593 7.061 1.00 0.00 C ATOM 1289 CD2 TYR A 82 2.963 3.938 9.410 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.063 3.970 6.846 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.336 4.315 9.195 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.818 4.313 7.924 1.00 0.00 C ATOM 1293 OH TYR A 82 6.115 4.669 7.721 1.00 0.00 O ATOM 0 H TYR A 82 -1.615 2.750 8.618 1.00 0.00 H new ATOM 0 HA TYR A 82 0.135 3.178 6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.144 4.066 8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.663 2.476 9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.067 3.317 6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.555 3.932 10.410 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.484 3.980 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.969 4.593 10.025 1.00 0.00 H new ATOM 0 HH TYR A 82 6.207 5.079 6.835 1.00 0.00 H new ATOM 1303 N CYS A 83 1.125 1.056 5.806 1.00 0.00 N ATOM 1304 CA CYS A 83 1.769 -0.177 5.385 1.00 0.00 C ATOM 1305 C CYS A 83 3.274 -0.040 5.625 1.00 0.00 C ATOM 1306 O CYS A 83 3.809 -0.609 6.574 1.00 0.00 O ATOM 1307 CB CYS A 83 1.452 -0.511 3.926 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.252 -1.165 3.790 1.00 0.00 S ATOM 0 H CYS A 83 1.043 1.765 5.077 1.00 0.00 H new ATOM 0 HA CYS A 83 1.383 -1.010 5.972 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.558 0.381 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.164 -1.246 3.550 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.512 -1.444 2.547 1.00 0.00 H new ATOM 1314 N GLY A 84 3.913 0.720 4.747 1.00 0.00 N ATOM 1315 CA GLY A 84 5.346 0.939 4.852 1.00 0.00 C ATOM 1316 C GLY A 84 5.902 1.550 3.564 1.00 0.00 C ATOM 1317 O GLY A 84 5.358 1.330 2.483 1.00 0.00 O ATOM 0 H GLY A 84 3.465 1.191 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.556 1.600 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.848 -0.007 5.057 1.00 0.00 H new ATOM 1321 N ASP A 85 6.979 2.306 3.722 1.00 0.00 N ATOM 1322 CA ASP A 85 7.615 2.950 2.586 1.00 0.00 C ATOM 1323 C ASP A 85 8.186 1.881 1.653 1.00 0.00 C ATOM 1324 O ASP A 85 8.140 0.692 1.964 1.00 0.00 O ATOM 1325 CB ASP A 85 8.768 3.849 3.036 1.00 0.00 C ATOM 1326 CG ASP A 85 9.796 3.175 3.948 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.590 1.979 4.247 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.763 3.871 4.324 1.00 0.00 O ATOM 0 H ASP A 85 7.427 2.487 4.620 1.00 0.00 H new ATOM 0 HA ASP A 85 6.864 3.555 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.281 4.226 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.354 4.712 3.556 1.00 0.00 H new ATOM 1333 N TYR A 86 8.712 2.343 0.527 1.00 0.00 N ATOM 1334 CA TYR A 86 9.291 1.440 -0.453 1.00 0.00 C ATOM 1335 C TYR A 86 10.183 0.396 0.222 1.00 0.00 C ATOM 1336 O TYR A 86 10.064 -0.797 -0.051 1.00 0.00 O ATOM 1337 CB TYR A 86 10.151 2.311 -1.371 1.00 0.00 C ATOM 1338 CG TYR A 86 11.213 1.534 -2.151 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.860 0.833 -3.286 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.524 1.533 -1.720 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.859 0.101 -4.021 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.523 0.801 -2.454 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.141 0.121 -3.569 1.00 0.00 C ATOM 1344 OH TYR A 86 14.085 -0.570 -4.262 1.00 0.00 O ATOM 0 H TYR A 86 8.749 3.330 0.272 1.00 0.00 H new ATOM 0 HA TYR A 86 8.509 0.907 -0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.502 2.828 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.643 3.077 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.834 0.833 -3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.801 2.082 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.596 -0.451 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.552 0.792 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 86 14.125 -1.491 -3.930 1.00 0.00 H new ATOM 1354 N ASP A 87 11.056 0.884 1.091 1.00 0.00 N ATOM 1355 CA ASP A 87 11.968 0.008 1.807 1.00 0.00 C ATOM 1356 C ASP A 87 11.203 -1.221 2.303 1.00 0.00 C ATOM 1357 O ASP A 87 11.620 -2.354 2.066 1.00 0.00 O ATOM 1358 CB ASP A 87 12.568 0.714 3.024 1.00 0.00 C ATOM 1359 CG ASP A 87 13.075 2.134 2.763 1.00 0.00 C ATOM 1360 OD1 ASP A 87 12.516 2.777 1.849 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.010 2.544 3.484 1.00 0.00 O ATOM 0 H ASP A 87 11.151 1.874 1.315 1.00 0.00 H new ATOM 0 HA ASP A 87 12.769 -0.276 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.815 0.752 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.395 0.113 3.403 1.00 0.00 H new ATOM 1366 N SER A 88 10.097 -0.956 2.982 1.00 0.00 N ATOM 1367 CA SER A 88 9.270 -2.026 3.513 1.00 0.00 C ATOM 1368 C SER A 88 8.873 -2.987 2.391 1.00 0.00 C ATOM 1369 O SER A 88 9.195 -4.174 2.443 1.00 0.00 O ATOM 1370 CB SER A 88 8.022 -1.468 4.200 1.00 0.00 C ATOM 1371 OG SER A 88 8.117 -1.539 5.620 1.00 0.00 O ATOM 0 H SER A 88 9.754 -0.015 3.177 1.00 0.00 H new ATOM 0 HA SER A 88 9.851 -2.569 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.875 -0.431 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.146 -2.024 3.867 1.00 0.00 H new ATOM 0 HG SER A 88 7.220 -1.482 6.011 1.00 0.00 H new ATOM 1377 N PHE A 89 8.181 -2.440 1.403 1.00 0.00 N ATOM 1378 CA PHE A 89 7.737 -3.234 0.270 1.00 0.00 C ATOM 1379 C PHE A 89 8.865 -4.129 -0.247 1.00 0.00 C ATOM 1380 O PHE A 89 8.728 -5.351 -0.278 1.00 0.00 O ATOM 1381 CB PHE A 89 7.334 -2.254 -0.833 1.00 0.00 C ATOM 1382 CG PHE A 89 6.756 -2.925 -2.080 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.514 -3.479 -2.041 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.483 -2.967 -3.229 1.00 0.00 C ATOM 1385 CE1 PHE A 89 4.978 -4.101 -3.199 1.00 0.00 C ATOM 1386 CE2 PHE A 89 6.947 -3.590 -4.387 1.00 0.00 C ATOM 1387 CZ PHE A 89 5.705 -4.144 -4.348 1.00 0.00 C ATOM 0 H PHE A 89 7.917 -1.456 1.363 1.00 0.00 H new ATOM 0 HA PHE A 89 6.907 -3.875 0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.598 -1.556 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.206 -1.667 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.936 -3.446 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.468 -2.526 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.992 -4.541 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.525 -3.624 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.297 -4.618 -5.229 1.00 0.00 H new ATOM 1397 N PHE A 90 9.955 -3.486 -0.640 1.00 0.00 N ATOM 1398 CA PHE A 90 11.106 -4.209 -1.154 1.00 0.00 C ATOM 1399 C PHE A 90 11.546 -5.303 -0.180 1.00 0.00 C ATOM 1400 O PHE A 90 11.671 -6.466 -0.561 1.00 0.00 O ATOM 1401 CB PHE A 90 12.240 -3.193 -1.308 1.00 0.00 C ATOM 1402 CG PHE A 90 13.378 -3.664 -2.216 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.341 -4.490 -1.727 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.426 -3.256 -3.513 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.397 -4.926 -2.570 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.482 -3.693 -4.355 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.445 -4.518 -3.866 1.00 0.00 C ATOM 0 H PHE A 90 10.065 -2.472 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 90 10.854 -4.684 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.831 -2.265 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.646 -2.965 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.303 -4.814 -0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.661 -2.600 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.162 -5.582 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.520 -3.370 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.248 -4.850 -4.507 1.00 0.00 H new ATOM 1417 N GLU A 91 11.770 -4.893 1.060 1.00 0.00 N ATOM 1418 CA GLU A 91 12.194 -5.823 2.092 1.00 0.00 C ATOM 1419 C GLU A 91 11.256 -7.032 2.135 1.00 0.00 C ATOM 1420 O GLU A 91 11.708 -8.169 2.258 1.00 0.00 O ATOM 1421 CB GLU A 91 12.264 -5.135 3.457 1.00 0.00 C ATOM 1422 CG GLU A 91 13.691 -5.152 4.007 1.00 0.00 C ATOM 1423 CD GLU A 91 13.708 -5.586 5.474 1.00 0.00 C ATOM 1424 OE1 GLU A 91 13.103 -4.856 6.289 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.326 -6.637 5.747 1.00 0.00 O ATOM 0 H GLU A 91 11.666 -3.928 1.373 1.00 0.00 H new ATOM 0 HA GLU A 91 13.197 -6.173 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.917 -4.106 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.595 -5.637 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.304 -5.832 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.133 -4.160 3.912 1.00 0.00 H new ATOM 1432 N SER A 92 9.967 -6.744 2.031 1.00 0.00 N ATOM 1433 CA SER A 92 8.961 -7.792 2.056 1.00 0.00 C ATOM 1434 C SER A 92 8.935 -8.524 0.713 1.00 0.00 C ATOM 1435 O SER A 92 8.442 -9.648 0.624 1.00 0.00 O ATOM 1436 CB SER A 92 7.578 -7.222 2.377 1.00 0.00 C ATOM 1437 OG SER A 92 7.206 -7.455 3.732 1.00 0.00 O ATOM 0 H SER A 92 9.596 -5.799 1.929 1.00 0.00 H new ATOM 0 HA SER A 92 9.224 -8.499 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.573 -6.150 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.838 -7.672 1.715 1.00 0.00 H new ATOM 0 HG SER A 92 7.140 -8.420 3.892 1.00 0.00 H new ATOM 1443 N LYS A 93 9.472 -7.858 -0.299 1.00 0.00 N ATOM 1444 CA LYS A 93 9.516 -8.431 -1.633 1.00 0.00 C ATOM 1445 C LYS A 93 10.476 -9.623 -1.640 1.00 0.00 C ATOM 1446 O LYS A 93 10.131 -10.699 -2.126 1.00 0.00 O ATOM 1447 CB LYS A 93 9.862 -7.358 -2.667 1.00 0.00 C ATOM 1448 CG LYS A 93 9.039 -7.540 -3.943 1.00 0.00 C ATOM 1449 CD LYS A 93 8.751 -6.192 -4.608 1.00 0.00 C ATOM 1450 CE LYS A 93 10.040 -5.394 -4.809 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.770 -5.879 -6.002 1.00 0.00 N ATOM 0 H LYS A 93 9.880 -6.927 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 93 8.534 -8.809 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.675 -6.370 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.924 -7.407 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.577 -8.185 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.100 -8.040 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.265 -6.354 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.057 -5.620 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.805 -4.336 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.673 -5.486 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.643 -5.326 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.011 -6.883 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.170 -5.769 -6.844 1.00 0.00 H new ATOM 1465 N GLU A 94 11.661 -9.391 -1.095 1.00 0.00 N ATOM 1466 CA GLU A 94 12.673 -10.432 -1.032 1.00 0.00 C ATOM 1467 C GLU A 94 12.133 -11.652 -0.283 1.00 0.00 C ATOM 1468 O GLU A 94 12.568 -12.776 -0.527 1.00 0.00 O ATOM 1469 CB GLU A 94 13.955 -9.911 -0.379 1.00 0.00 C ATOM 1470 CG GLU A 94 14.620 -8.844 -1.251 1.00 0.00 C ATOM 1471 CD GLU A 94 16.123 -8.771 -0.977 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.858 -9.542 -1.630 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.504 -7.944 -0.120 1.00 0.00 O ATOM 0 H GLU A 94 11.943 -8.497 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 94 12.920 -10.735 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.724 -9.493 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.647 -10.737 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.449 -9.071 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.164 -7.874 -1.056 1.00 0.00 H new ATOM 1480 N SER A 95 11.192 -11.389 0.612 1.00 0.00 N ATOM 1481 CA SER A 95 10.589 -12.452 1.397 1.00 0.00 C ATOM 1482 C SER A 95 9.221 -12.819 0.818 1.00 0.00 C ATOM 1483 O SER A 95 8.471 -13.584 1.423 1.00 0.00 O ATOM 1484 CB SER A 95 10.450 -12.042 2.865 1.00 0.00 C ATOM 1485 OG SER A 95 11.468 -12.619 3.679 1.00 0.00 O ATOM 0 H SER A 95 10.833 -10.455 0.811 1.00 0.00 H new ATOM 0 HA SER A 95 11.242 -13.323 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.495 -10.956 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.472 -12.348 3.236 1.00 0.00 H new ATOM 0 HG SER A 95 11.346 -12.332 4.608 1.00 0.00 H new ATOM 1491 N ASN A 96 8.938 -12.257 -0.348 1.00 0.00 N ATOM 1492 CA ASN A 96 7.674 -12.516 -1.016 1.00 0.00 C ATOM 1493 C ASN A 96 6.535 -12.414 0.000 1.00 0.00 C ATOM 1494 O ASN A 96 5.777 -13.365 0.185 1.00 0.00 O ATOM 1495 CB ASN A 96 7.647 -13.922 -1.618 1.00 0.00 C ATOM 1496 CG ASN A 96 8.270 -13.933 -3.015 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.124 -13.007 -3.796 1.00 0.00 O ATOM 1498 ND2 ASN A 96 8.972 -15.030 -3.286 1.00 0.00 N ATOM 0 H ASN A 96 9.562 -11.623 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 96 7.557 -11.781 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.189 -14.610 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.618 -14.279 -1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.428 -15.133 -4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.055 -15.768 -2.587 1.00 0.00 H new ATOM 1505 N THR A 97 6.450 -11.253 0.632 1.00 0.00 N ATOM 1506 CA THR A 97 5.416 -11.015 1.624 1.00 0.00 C ATOM 1507 C THR A 97 4.659 -9.724 1.307 1.00 0.00 C ATOM 1508 O THR A 97 3.784 -9.310 2.066 1.00 0.00 O ATOM 1509 CB THR A 97 6.078 -11.007 3.004 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.346 -10.397 2.777 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.423 -12.414 3.496 1.00 0.00 C ATOM 0 H THR A 97 7.081 -10.467 0.476 1.00 0.00 H new ATOM 0 HA THR A 97 4.666 -11.806 1.611 1.00 0.00 H new ATOM 0 HB THR A 97 5.415 -10.524 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.318 -9.885 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.890 -12.351 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.512 -13.009 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.113 -12.885 2.796 1.00 0.00 H new ATOM 1519 N VAL A 98 5.022 -9.124 0.183 1.00 0.00 N ATOM 1520 CA VAL A 98 4.388 -7.888 -0.245 1.00 0.00 C ATOM 1521 C VAL A 98 2.895 -7.946 0.084 1.00 0.00 C ATOM 1522 O VAL A 98 2.350 -7.018 0.678 1.00 0.00 O ATOM 1523 CB VAL A 98 4.664 -7.645 -1.730 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.564 -6.788 -2.359 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.040 -7.008 -1.934 1.00 0.00 C ATOM 0 H VAL A 98 5.747 -9.471 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 98 4.807 -7.037 0.293 1.00 0.00 H new ATOM 0 HB VAL A 98 4.664 -8.612 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.785 -6.630 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.605 -7.297 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.517 -5.825 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.212 -6.846 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.080 -6.053 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.810 -7.671 -1.539 1.00 0.00 H new ATOM 1535 N PHE A 99 2.276 -9.047 -0.318 1.00 0.00 N ATOM 1536 CA PHE A 99 0.856 -9.238 -0.074 1.00 0.00 C ATOM 1537 C PHE A 99 0.523 -9.038 1.406 1.00 0.00 C ATOM 1538 O PHE A 99 -0.349 -8.240 1.748 1.00 0.00 O ATOM 1539 CB PHE A 99 0.524 -10.678 -0.469 1.00 0.00 C ATOM 1540 CG PHE A 99 0.389 -10.894 -1.978 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.764 -10.554 -2.613 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.423 -11.426 -2.684 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -0.890 -10.754 -4.013 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.298 -11.626 -4.084 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.144 -11.286 -4.719 1.00 0.00 C ATOM 0 H PHE A 99 2.732 -9.815 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 99 0.279 -8.515 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.303 -11.338 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.408 -10.971 0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.585 -10.132 -2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.339 -11.696 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.806 -10.484 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.119 -12.048 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.049 -11.438 -5.784 1.00 0.00 H new ATOM 1555 N SER A 100 1.234 -9.777 2.245 1.00 0.00 N ATOM 1556 CA SER A 100 1.024 -9.691 3.680 1.00 0.00 C ATOM 1557 C SER A 100 1.450 -8.313 4.190 1.00 0.00 C ATOM 1558 O SER A 100 0.796 -7.740 5.060 1.00 0.00 O ATOM 1559 CB SER A 100 1.794 -10.790 4.416 1.00 0.00 C ATOM 1560 OG SER A 100 0.957 -11.892 4.756 1.00 0.00 O ATOM 0 H SER A 100 1.956 -10.438 1.958 1.00 0.00 H new ATOM 0 HA SER A 100 -0.038 -9.833 3.879 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.616 -11.138 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.237 -10.378 5.323 1.00 0.00 H new ATOM 0 HG SER A 100 1.486 -12.573 5.223 1.00 0.00 H new ATOM 1566 N PHE A 101 2.543 -7.820 3.625 1.00 0.00 N ATOM 1567 CA PHE A 101 3.063 -6.520 4.011 1.00 0.00 C ATOM 1568 C PHE A 101 1.990 -5.437 3.875 1.00 0.00 C ATOM 1569 O PHE A 101 1.924 -4.518 4.690 1.00 0.00 O ATOM 1570 CB PHE A 101 4.218 -6.199 3.060 1.00 0.00 C ATOM 1571 CG PHE A 101 4.502 -4.704 2.908 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.591 -3.913 4.010 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.666 -4.165 1.670 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.854 -2.525 3.869 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.930 -2.777 1.528 1.00 0.00 C ATOM 1576 CZ PHE A 101 5.018 -1.986 2.631 1.00 0.00 C ATOM 0 H PHE A 101 3.082 -8.298 2.903 1.00 0.00 H new ATOM 0 HA PHE A 101 3.387 -6.544 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.120 -6.695 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.994 -6.617 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.462 -4.341 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.595 -4.793 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.924 -1.897 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.061 -2.350 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.218 -0.930 2.524 1.00 0.00 H new ATOM 1586 N LEU A 102 1.177 -5.582 2.840 1.00 0.00 N ATOM 1587 CA LEU A 102 0.110 -4.628 2.587 1.00 0.00 C ATOM 1588 C LEU A 102 -1.117 -5.010 3.417 1.00 0.00 C ATOM 1589 O LEU A 102 -2.014 -4.193 3.618 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.170 -4.524 1.087 1.00 0.00 C ATOM 1591 CG LEU A 102 1.056 -4.363 0.185 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.835 -5.045 -1.167 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.432 -2.888 0.028 1.00 0.00 C ATOM 0 H LEU A 102 1.235 -6.346 2.166 1.00 0.00 H new ATOM 0 HA LEU A 102 0.409 -3.628 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.711 -5.418 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.834 -3.676 0.919 1.00 0.00 H new ATOM 0 HG LEU A 102 1.899 -4.861 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.721 -4.916 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.652 -6.108 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.026 -4.597 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.306 -2.802 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.598 -2.345 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.660 -2.465 1.006 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.118 -6.253 3.876 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.220 -6.753 4.680 1.00 0.00 C ATOM 1607 C GLY A 103 -3.141 -7.651 3.849 1.00 0.00 C ATOM 1608 O GLY A 103 -4.270 -7.928 4.250 1.00 0.00 O ATOM 0 H GLY A 103 -0.373 -6.929 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.830 -7.313 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.790 -5.916 5.084 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.623 -8.080 2.708 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.384 -8.941 1.818 1.00 0.00 C ATOM 1614 C LEU A 104 -3.244 -10.393 2.277 1.00 0.00 C ATOM 1615 O LEU A 104 -2.152 -10.831 2.638 1.00 0.00 O ATOM 1616 CB LEU A 104 -2.966 -8.712 0.364 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.947 -7.256 -0.107 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.205 -7.120 -1.438 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.364 -6.685 -0.180 1.00 0.00 C ATOM 0 H LEU A 104 -1.686 -7.848 2.379 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.445 -8.693 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.970 -9.132 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.643 -9.273 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.400 -6.666 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.206 -6.076 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.177 -7.462 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.703 -7.726 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.322 -5.649 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.957 -7.271 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.824 -6.727 0.807 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.364 -11.101 2.247 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.379 -12.495 2.656 1.00 0.00 C ATOM 1633 C LYS A 105 -3.889 -12.604 4.101 1.00 0.00 C ATOM 1634 O LYS A 105 -2.686 -12.643 4.351 1.00 0.00 O ATOM 1635 CB LYS A 105 -3.581 -13.351 1.670 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.967 -14.565 2.370 1.00 0.00 C ATOM 1637 CD LYS A 105 -2.673 -15.684 1.369 1.00 0.00 C ATOM 1638 CE LYS A 105 -2.495 -17.025 2.083 1.00 0.00 C ATOM 1639 NZ LYS A 105 -1.519 -17.872 1.361 1.00 0.00 N ATOM 0 H LYS A 105 -5.267 -10.735 1.946 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.396 -12.887 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.232 -13.684 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.792 -12.750 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.046 -14.272 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.649 -14.929 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.488 -15.757 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.771 -15.445 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.154 -16.857 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.454 -17.539 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.410 -18.778 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.860 -18.047 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.600 -17.386 1.322 1.00 0.00 H new ATOM 1653 N SER A 106 -4.847 -12.650 5.015 1.00 0.00 N ATOM 1654 CA SER A 106 -4.529 -12.754 6.429 1.00 0.00 C ATOM 1655 C SER A 106 -5.812 -12.698 7.260 1.00 0.00 C ATOM 1656 O SER A 106 -6.148 -11.655 7.820 1.00 0.00 O ATOM 1657 CB SER A 106 -3.568 -11.644 6.860 1.00 0.00 C ATOM 1658 OG SER A 106 -3.442 -11.568 8.277 1.00 0.00 O ATOM 0 H SER A 106 -5.844 -12.617 4.804 1.00 0.00 H new ATOM 0 HA SER A 106 -4.036 -13.711 6.599 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.588 -11.821 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.923 -10.688 6.476 1.00 0.00 H new ATOM 0 HG SER A 106 -2.819 -10.849 8.512 1.00 0.00 H new ATOM 1664 N GLY A 107 -6.494 -13.832 7.314 1.00 0.00 N ATOM 1665 CA GLY A 107 -7.733 -13.925 8.068 1.00 0.00 C ATOM 1666 C GLY A 107 -8.946 -13.857 7.139 1.00 0.00 C ATOM 1667 O GLY A 107 -8.863 -14.243 5.973 1.00 0.00 O ATOM 0 H GLY A 107 -6.212 -14.695 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.752 -14.859 8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.782 -13.115 8.796 1.00 0.00 H new ATOM 1671 N PRO A 108 -10.075 -13.351 7.703 1.00 0.00 N ATOM 1672 CA PRO A 108 -11.304 -13.228 6.938 1.00 0.00 C ATOM 1673 C PRO A 108 -11.226 -12.054 5.960 1.00 0.00 C ATOM 1674 O PRO A 108 -11.977 -11.088 6.083 1.00 0.00 O ATOM 1675 CB PRO A 108 -12.400 -13.063 7.978 1.00 0.00 C ATOM 1676 CG PRO A 108 -11.700 -12.634 9.257 1.00 0.00 C ATOM 1677 CD PRO A 108 -10.211 -12.885 9.080 1.00 0.00 C ATOM 0 HA PRO A 108 -11.497 -14.098 6.310 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.129 -12.316 7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -12.943 -13.997 8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.888 -11.580 9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -12.083 -13.196 10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -9.633 -11.976 9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.848 -13.630 9.788 1.00 0.00 H new ATOM 1685 N SER A 109 -10.310 -12.177 5.011 1.00 0.00 N ATOM 1686 CA SER A 109 -10.124 -11.138 4.012 1.00 0.00 C ATOM 1687 C SER A 109 -9.686 -11.760 2.685 1.00 0.00 C ATOM 1688 O SER A 109 -8.911 -12.715 2.668 1.00 0.00 O ATOM 1689 CB SER A 109 -9.096 -10.104 4.478 1.00 0.00 C ATOM 1690 OG SER A 109 -9.415 -9.576 5.763 1.00 0.00 O ATOM 0 H SER A 109 -9.689 -12.980 4.912 1.00 0.00 H new ATOM 0 HA SER A 109 -11.076 -10.626 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.108 -10.564 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.046 -9.291 3.754 1.00 0.00 H new ATOM 0 HG SER A 109 -8.735 -8.921 6.026 1.00 0.00 H new ATOM 1696 N SER A 110 -10.202 -11.194 1.604 1.00 0.00 N ATOM 1697 CA SER A 110 -9.875 -11.681 0.275 1.00 0.00 C ATOM 1698 C SER A 110 -10.209 -13.170 0.167 1.00 0.00 C ATOM 1699 O SER A 110 -10.448 -13.832 1.176 1.00 0.00 O ATOM 1700 CB SER A 110 -8.399 -11.443 -0.051 1.00 0.00 C ATOM 1701 OG SER A 110 -8.085 -11.798 -1.395 1.00 0.00 O ATOM 0 H SER A 110 -10.845 -10.402 1.622 1.00 0.00 H new ATOM 0 HA SER A 110 -10.473 -11.127 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.156 -10.393 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.779 -12.024 0.632 1.00 0.00 H new ATOM 0 HG SER A 110 -7.134 -11.630 -1.564 1.00 0.00 H new ATOM 1707 N GLY A 111 -10.215 -13.655 -1.067 1.00 0.00 N ATOM 1708 CA GLY A 111 -10.516 -15.053 -1.320 1.00 0.00 C ATOM 1709 C GLY A 111 -9.614 -15.968 -0.487 1.00 0.00 C ATOM 1710 O GLY A 111 -8.501 -15.588 -0.129 1.00 0.00 O ATOM 0 H GLY A 111 -10.016 -13.104 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.561 -15.252 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.383 -15.271 -2.380 1.00 0.00 H new TER 1714 GLY A 111